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Sample records for fast molecular ions

  1. Collision induced fragmentation of fast molecular ions in solids and gases. [Review, wake effects, excited states

    Energy Technology Data Exchange (ETDEWEB)

    Gemmell, D S

    1979-01-01

    A brief review is given of recent high resolution measurements on fragments arising from the collision-induced dissociation of fast (MeV) molecular ions. For solid targets, strong wake effects are observed. For gaseous targets, excited electronic states of the projectile ions play an important role. Measurements of this type provide useful information on the charge states of fast ions traversing matter. The experimental techniques show promise as a unique method for determining the geometrical structures of the molecular-ion projectiles. 41 references.

  2. Wave packet evolution approach to ionization of hydrogen molecular ion by fast electrons

    CERN Document Server

    Serov, V V; Joulakian, B B; Vinitsky, S I; Serov, Vladislav V.; Derbov, Vladimir L.; Joulakian, Boghos B.; Vinitsky, Sergue I.

    2000-01-01

    The multiply differential cross section of the ionization of hydrogen molecular ion by fast electron impact is calculated by a direct approach, which involves the reduction of the initial 6D Schr\\"{o}dinger equation to a 3D evolution problem followed by the modeling of the wave packet dynamics. This approach avoids the use of stationary Coulomb two-centre functions of the continuous spectrum of the ejected electron which demands cumbersome calculations. The results obtained, after verification of the procedure in the case atomic hydrogen, reveal interesting mechanisms in the case of small scattering angles.

  3. Physics with fast molecular-ion beams. Proceedings of workshop held at Argonne National Laboratory, August 20-21, 1979. [Workshop

    Energy Technology Data Exchange (ETDEWEB)

    Gemmell, D.S. (ed.)

    1979-01-01

    The Workshop on Physics with Fast Molecular-Ion Beams was held in the Physics Division, Argonne National Laboratory on August 20 and 21, 1979. The meeting brought together representatives from several groups studying the interactions of fast (MeV) molecular-ion beams with matter. By keeping the Workshop program sharply focussed on current work related to the interactions of fast molecular ions, it was made possible for the participants to engage in vigorous and detailed discussions concerning such specialized topics as molecular-ion dissociation and transmission, wake effects, ionic charge states, cluster stopping powers, beam-foil spectroscopy, electron-emissions studies with molecular-ion beams, and molecular-ion structure determinations.

  4. Materials analysis fast ions

    CERN Document Server

    Denker, A; Rauschenberg, J; Röhrich, J; Strub, E

    2006-01-01

    Materials analysis with ion beams exploits the interaction of ions with the electrons and nuclei in the sample. Among the vast variety of possible analytical techniques available with ion beams we will restrain to ion beam analysis with ion beams in the energy range from one to several MeV per mass unit. It is possible to use either the back-scattered projectiles (RBS – Rutherford Back Scattering) or the recoiled atoms itself (ERDA – Elastic Recoil Detection Analysis) from the elastic scattering processes. These techniques allow the simultaneous and absolute determination of stoichiometry and depth profiles of the detected elements. The interaction of the ions with the electrons in the sample produces holes in the inner electronic shells of the sample atoms, which recombine and emit X-rays characteristic for the element in question. Particle Induced X-ray Emission (PIXE) has shown to be a fast technique for the analysis of elements with an atomic number above 11.

  5. Molecular dynamics simulation of polymerlike thin films irradiated by fast ions: A comparison between FENE and Lennard-Jones potentials

    Science.gov (United States)

    Lima, N. W.; Gutierres, L. I.; Gonzalez, R. I.; Müller, S.; Thomaz, R. S.; Bringa, E. M.; Papaléo, R. M.

    2016-11-01

    In this paper, the surface effects of individual heavy ions impacting thin polymerlike films were investigated, using molecular dynamics simulations with the finite extensible nonlinear elastic (FENE) potential to describe the molecular chains. The perturbation introduced by the ions in the lattice was modeled assuming that the initial excitation energy in the ion track is converted into an effective temperature, as in a thermal spike. The track was heated only within the film thickness h , leaving a nonexcited substrate below. The effect of decreasing thickness on cratering and sputtering was evaluated. The results were compared to experimental data of thin polymer films bombarded by MeV-GeV ions and to simulations performed with the Lennard-Jones potential. While several qualitative results observed in the experiments were also seen in the simulations, irrespective of the potential used, there are important differences observed on FENE films. Crater dimensions, rim volume, and sputtering yields are substantially reduced, and a threshold thickness for molecular ejection appears in FENE simulations. This is attributed to the additional restrictions on mass transport out of the excited track region imposed by interchain interactions (entanglements) and by the low mobility of the molten phase induced by the spike.

  6. Molecular imaging with fast beams

    Energy Technology Data Exchange (ETDEWEB)

    Heber, O. [Weizmann Inst. of Science, Rehovoth (Israel). Dept. of Particle Physics; Zajfman, D. [Weizmann Inst. of Science, Rehovoth (Israel). Dept. of Particle Physics; Kella, D. [Weizmann Inst. of Science, Rehovoth (Israel). Dept. of Particle Physics; Vager, Z. [Weizmann Inst. of Science, Rehovoth (Israel). Dept. of Particle Physics; Watson, R.L. [Cyclotron Institute, Texas A and M University, College Station, Texas 77843 (United States); Horvat, V. [Cyclotron Institute, Texas A and M University, College Station, Texas 77843 (United States)

    1995-05-01

    Three dimensional imaging of the molecular dissociation process in fast collisions is presented with two different setups. One setup is for a fast molecular beam from an accelerator colliding with a gas target. The second setup is for a molecular target system and the collision process is with highly ionized fast beam. The advantages of each system are discussed. The three dimensional imaging of the molecular fragments is done with special detectors that combine the CCD image with time of flight data. An example of the molecular beam measurement is given for an 11 MeV B{sub 2} beam. (orig.).

  7. Molecular ion photofragment spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bustamente, S.W.

    1983-11-01

    A new molecular ion photofragment spectrometer is described which features a supersonic molecular beam ion source and a radio frequency octapole ion trap interaction region. This unique combination allows several techniques to be applied to the problem of detecting a photon absorption event of a molecular ion. In particular, it may be possible to obtain low resolution survey spectra of exotic molecular ions by using a direct vibrational predissociation process, or by using other more indirect detection methods. The use of the spectrometer is demonstrated by measuring the lifetime of the O/sub 2//sup +/(/sup 4/..pi../sub u/) metastable state which is found to consist of two main components: the /sup 4/..pi../sub 5/2/ and /sup 4/..pi../sub -1/2/ spin components having a long lifetime (approx. 129 ms) and the /sup 4/..pi../sub 3/2/ and /sup 4/..pi../sub 1/2/ spin components having a short lifetime (approx. 6 ms).

  8. Fast clinical molecular diagnosis of hyperphenylalaninemia using next-generation sequencing-based on a custom AmpliSeq™ panel and Ion Torrent PGM sequencing.

    Science.gov (United States)

    Cao, Yan-yan; Qu, Yu-jin; Song, Fang; Zhang, Ting; Bai, Jin-li; Jin, Yu-wei; Wang, Hong

    2014-12-01

    Hyperphenylalaninemia (HPA) can be classified into phenylketonuria (PKU) and tetrahydrobiopterin deficiency (BH4D), according to the defect of enzyme activity, both of which vary substantially in severity, treatment, and prognosis of the disease. To set up a fast and comprehensive assay in order to achieve early etiological diagnosis and differential diagnosis for children with HPA, we designed a custom AmpliSeq™ panel for the sequencing of coding DNA sequence (CDS), flanking introns, 5' untranslated region (UTR) and 3' UTR from five HPA-causing genes (PAH, PTS, QDPR, GCH1, and PCBD1) using the Ion Torrent Personal Genome Machine (PGM) Sequencer. A standard group of 15 samples with previously known DNA sequences and a test group of 37 HPA patients with unknown mutations were used for assay validation and application, respectively. All variations were confirmed by Sanger sequencing. In the standard group, all the known mutations were detected and were consistent with the results of previous Sanger sequencing. In the test group, we identified mutations in 71 of 74 alleles, with a mutation detection rate of 95.9%. We also found a frame shift deletion p.Ile25Metfs*13 in PAH that was previously unreported. In addition, 1 of 37 in the test group was inconsistent with either the molecular diagnosis or clinical diagnosis by traditional differential methods. In conclusion, our comprehensive assay based on a custom AmpliSeq™ panel and Ion Torrent PGM sequencing has wider coverage, higher throughput, is much faster, and more efficient when compared with the traditional molecular detection method for HPA patients, which could meet the medical need for individualized diagnosis and treatment.

  9. Fast Quantum Rabi Model with Trapped Ions

    Science.gov (United States)

    Moya-Cessa, Héctor M.

    2016-12-01

    We show how to produce a fast quantum Rabi model with trapped ions. Its importance resides not only in the acceleration of the phenomena that may be achieved with these systems, from quantum gates to the generation of nonclassical states of the vibrational motion of the ion, but also in reducing unwanted effects such as the decay of coherences that may appear in such systems.

  10. Fast ion extraction in laser isotope separation

    Energy Technology Data Exchange (ETDEWEB)

    Hazak, G.; Gell, Y.; Boneh, Y.; Goshen, S.

    1980-10-01

    An analysis of the E x B scheme for fast ion extraction in laser isotope separation is presented. Using an analytically solvable model and a numerical simulation we have found that the scheme can meet the rather severe time and space restrictions imposed by the large cross section for charge exchange.

  11. Controlling fast transport of cold trapped ions

    CERN Document Server

    Walther, Andreas; Ruster, Thomas; Dawkins, Sam T; Ott, Konstantin; Hettrich, Max; Singer, Kilian; Schmidt-Kaler, Ferdinand; Poschinger, Ulrich

    2012-01-01

    We realize fast transport of ions in a segmented micro-structured Paul trap. The ion is shuttled over a distance of more than 10^4 times its groundstate wavefunction size during only 5 motional cycles of the trap (280 micro meter in 3.6 micro seconds). Starting from a ground-state-cooled ion, we find an optimized transport such that the energy increase is as low as 0.10 $\\pm$ 0.01 motional quanta. In addition, we demonstrate that quantum information stored in a spin-motion entangled state is preserved throughout the transport. Shuttling operations are concatenated, as a proof-of-principle for the shuttling-based architecture to scalable ion trap quantum computing.

  12. Photochronographic registration of fast light ions

    Science.gov (United States)

    Litvin, Dmitri N.; Lazarchuk, Valeri P.; Murugov, Vasili M.; Petrov, Sergei I.; Senik, Alexei V.

    1999-06-01

    A possibility of registration of fast ions (protons, alpha- particles) with the help of an X-ray streak camera is demonstrated. The spatial resolution of the device is 50 micrometer, the physical time resolution with the use of a CsJ-cathode is 7 ps. From (alpha) -emission a secondary electrons yield is determined of (eta) equals 8 el../part. The device sensitivity makes it possible to register separate (alpha) -particles and protons. On the basis of the device there have been elaborated techniques of spatial-spectral registering of radiation of fast ions emitted by laser thermonuclear targets. The techniques are destined to study processes of interaction of high-intensive laser radiation with an appliance Iskra-5 target.

  13. Quantum logic with molecular ions

    CERN Document Server

    Wolf, Fabian; Heip, Jan C; Gebert, Florian; Shi, Chunyan; Schmidt, Piet O

    2015-01-01

    Laser spectroscopy of cold and trapped molecular ions is a powerful tool for fundamental physics, including the determination of fundamental constants, the laboratory test for their possible variation, and the search for a possible electric dipole moment of the electron. Optical clocks based on molecular ions sensitive to some of these effects are expected to achieve uncertainties approaching the $10^{-18}$ level. While the complexity of molecular structure facilitates these applications, the absence of cycling transitions poses a challenge for direct laser cooling, quantum state control, and detection. Previously employed state detection techniques based on photo-dissociation or chemical reactions are destructive and therefore inefficient. Here we experimentally demonstrate non-destructive state detection of a single trapped molecular ion through its strong Coulomb coupling to a well-controlled co-trapped atomic ion. An algorithm based on a state-dependent optical dipole force(ODF) changes the internal state...

  14. Fast Ion Collective Thomson Scattering Diagnostic for ITER

    DEFF Research Database (Denmark)

    Korsholm, Søren Bang; Bindslev, Henrik; Furtula, Vedran

    2008-01-01

    In the era of high power and burning plasma fusion experiments with significant populations of fast particles, the diagnosis of fast ion dynamics becomes an important topic. In ITER, populations of fast ions due to ICRH and NBI, as well as fusion born alphas will carry a significant fraction of t...

  15. Fast ion beam-plasma interaction system.

    Science.gov (United States)

    Breun, R A; Ferron, J R

    1979-07-01

    A device has been constructed for the study of the interaction between a fast ion beam and a target plasma of separately controllable parameters. The beam of either hydrogen or helium ions has an energy of 1-4 keV and a total current of 0.5-2 A. The beam energy and beam current can be varied separately. The ion source plasma is created by a pulsed (0.2-10-ms pulse length) discharge in neutral gas at up to 3 x 10(-3) Torr. The neutrals are pulsed into the source chamber, allowing the neutral pressure in the target region to remain less than 5 x 10(-5) Torr at a 2-Hz repetition rate. The creation of the source plasma can be described by a simple set of equations which predict optimum source design parameters. The target plasma is also produced by a pulsed discharge. Between the target and source chambers the beam is neutralized by electrons drawn from a set of hot filaments. Currently under study is an unstable wave in a field-free plasma excited when the beam velocity is nearly equal to the target electron thermal velocity (v(beam) approximately 3.5 x 10(7) cm/s, Te = 0.5 eV).

  16. Momentum imaging of photofragments and photoelectrons using fast ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Domesle, Christian

    2012-07-04

    Momentum imaging of photofragments and photoelectrons using fast ion beams - Within the framework of this thesis a method for break-up channel specific detection of the photoelectrons from photon-induced dissociation processes of fast moving molecular ion has been established. For this purpose, a novel saddlepoint electron spectrometer was commissioned while investigating the photodetachment dynamics on a fast moving beam of oxygen anions. For a complete detection of all outgoing reaction products emerging from the photolysis of small water clusters (H{sub 2}O){sub n}H{sup +}(n≤3) in the wavelength range of 13.5-40 nm a new fragment analyzing system has been developed and in combination with the novel saddle-point spectrometer applied, to investigate the dissociative photoionization of the hydronium (H{sub 3}O{sup +}) and the Zundel ion (H{sub 5}O{sub 2}{sup +}). In case of the hydronium ion, a binary H{sub 2}O{sup +}+H{sup +} and two three-body channels OH{sup +}+2H{sup +}, OH{sup +}+H{sup +}+H have been identified to be initiated by outer valence vacancies, where the binary channel is mainly triggered by the ionization of the 3a{sub 1} orbital and the three-body channels follow ionization from the 1e orbital. The photolysis of H{sub 5}O{sub 2}{sup +} is found to proceed via five prominent pathways, where for a large number of processes the hydronium ion is split off as a stable structural unit. Also here, the investigation of the photoelectron spectra revealed the prominent dissociation pathways to be initiated by outer valence vacancies.

  17. Fast ions and momentum transport in JET tokamak plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Salmi, A.

    2012-07-01

    Fast ions are an inseparable part of fusion plasmas. They can be generated using electromagnetic waves or injected into plasmas as neutrals to heat the bulk plasma and to drive toroidal rotation and current. In future power plants fusion born fast ions deliver the main heating into the plasma. Understanding and controlling the fast ions is of crucial importance for the operation of a power plant. Furthermore, fast ions provide ways to probe the properties of the thermal plasma and get insight of its confinement properties. In this thesis, numerical code packages are used and developed to simulate JET experiments for a range of physics issues related to fast ions. Namely, the clamping fast ion distribution at high energies with RF heating, fast ion ripple torque generation and the toroidal momentum transport properties using NBI modulation technique are investigated. Through a comparison of numerical simulations and the JET experimental data it is shown that the finite Larmor radius effects in ion cyclotron resonance heating are important and that they can prevent fast ion tail formation beyond certain energy. The identified mechanism could be used for tailoring the fast ion distribution in future experiments. Secondly, ASCOT simulations of NBI ions in a ripple field showed that most of the reduction of the toroidal rotation that has been observed in the JET enhanced ripple experiments could be attributed to fast ion ripple torque. Finally, fast ion torque calculations together with momentum transport analysis have led to the conclusion that momentum transport in not purely diffusive but that a convective component, which increases monotonically in radius, exists in a wide range of JET plasmas. Using parameter scans, the convective transport has been shown to be insensitive to collisionality and q-profile but to increase strongly against density gradient. (orig.)

  18. Fast formation cycling for lithium ion batteries

    Science.gov (United States)

    An, Seong Jin; Li, Jianlin; Du, Zhijia; Daniel, Claus; Wood, David L.

    2017-02-01

    The formation process for lithium ion batteries typically takes several days or more, and it is necessary for providing a stable solid electrolyte interphase on the anode (at low potentials vs. Li/Li+) for preventing irreversible consumption of electrolyte and lithium ions. An analogous layer known as the cathode electrolyte interphase layer forms at the cathode at high potentials vs. Li/Li+. However, several days, or even up to a week, of these processes result in either lower LIB production rates or a prohibitively large size of charging-discharging equipment and space (i.e. excessive capital cost). In this study, a fast and effective electrolyte interphase formation protocol is proposed and compared with an Oak Ridge National Laboratory baseline protocol. Graphite, NMC 532, and 1.2 M LiPF6 in ethylene carbonate: diethyl carbonate were used as anodes, cathodes, and electrolytes, respectively. Results from electrochemical impedance spectroscopy show the new protocol reduced surface film (electrolyte interphase) resistances, and 1300 aging cycles show an improvement in capacity retention.

  19. Adiabatic Cooling for Rovibrational Spectroscopy of Molecular Ions

    DEFF Research Database (Denmark)

    Fisher, Karin

    2017-01-01

    The field of cold molecular ions is a fast growing one, with applications in high resolution spectroscopy and metrology, the search for time variations of fundamental constants, cold chemistry and collisions, and quantum information processing, to name a few. The study of single molecular ions...... is attractive as it enables one to push the limits of spectroscopic accuracy. Non-destructive spectroscopic detection of molecular ions can be achieved by co-trapping with an easier to detect atomic ion. The ion chain has coupled motion, and transitions which change both the internal and motional states...... to the measured heating rates, almost perfectly fitting existing heating rate theory. Further, the same model successfully predicted the heating rates of the in-phase mode of a two-ion crystal, indicating that we can use it to predict the heating rates in experiments on molecule-atom chains. Adiabatic cooling...

  20. Transfer ionization in collisions with a fast highly charged ion.

    Science.gov (United States)

    Voitkiv, A B

    2013-07-26

    Transfer ionization in fast collisions between a bare ion and an atom, in which one of the atomic electrons is captured by the ion whereas another one is emitted, crucially depends on dynamic electron-electron correlations. We show that in collisions with a highly charged ion a strong field of the ion has a very profound effect on the correlated channels of transfer ionization. In particular, this field weakens (strongly suppresses) electron emission into the direction opposite (perpendicular) to the motion of the ion. Instead, electron emission is redirected into those parts of the momentum space which are very weakly populated in fast collisions with low charged ions.

  1. Fast Ion Redistribution and Implications for the Hybrid Regime

    Energy Technology Data Exchange (ETDEWEB)

    Nazikian, R; Austin, M E; Budny, R V; Chu, M S; Heidbrink, W W; Makowski, M A; Petty, C C; Politzer, P A; Solomon, W M; Van Zeeland, M A

    2007-06-26

    Time dependent TRANSP analysis indicates that radial redistribution of fast ions is unlikely to affect the central current density in hybrid plasmas sufficient to raise q(0) above unity. The results suggest that some other mechanism other than fast ion transport must be involved in raising q(0) and preventing sawteeth in hybrid plasmas.

  2. Assessment of Potential for Ion Driven Fast Ignition

    Energy Technology Data Exchange (ETDEWEB)

    Logan, B. Grant; Bangerter, Roger O.; Callahan, Debra A.; Tabak,Max; Roth, Markus; Perkins, L. John; Caporaso, George

    2005-05-01

    Critical issues and ion beam requirements are explored for fast ignition using ion beams to provide fuel compression using indirect drive and to provide separate short pulse ignition heating using direct drive. Several ion species with different hohlraum geometries are considered for both accelerator-produced and laser-produced ion ignition beams. Ion-driven fast ignition targets are projected to have modestly higher gains than with conventional heavy-ion fusion, and may offer some other advantages for target fabrication and for use of advanced fuels. However, much more analysis and experiments are needed before conclusions can be drawn regarding the feasibility for meeting the ion beam transverse and longitudinal emittances, focal spots, pulse lengths, and target stand-off distances required for ion-driven fast ignition.

  3. Assessment of Potential for Ion Driven Fast Ignition

    Energy Technology Data Exchange (ETDEWEB)

    Logan, B. Grant; Bangerter, Roger O.; Callahan, Debra A.; Tabak, Max; Roth, Markus; Perkins, L. John; Caporaso, George

    2004-12-01

    Critical issues and ion beam requirements are explored for fast ignition using ion beams to provide fuel compression using indirect drive and to provide separate short pulse ignition heating using direct drive. Several ion species with different hohlraum geometries are considered for both accelerator-produced and laser-produced ion ignition beams. Ion-driven fast ignition targets are projected to have modestly higher gains than with conventional heavy-ion fusion, and may offer some other advantages for target fabrication and for use of advanced fuels. However, much more analysis and experiments are needed before conclusions can be drawn regarding the feasibility for meeting the ion beam transverse and longitudinal emittances, focal spots, pulse lengths, and target standoff distances required for ion-driven fast ignition.

  4. Measurement and control of the fast ion redistribution on MAST

    CERN Document Server

    Turnyanskiy, M; Akers, R J; Cecconello, M; Keeling, D L; Kirk, A; Lake, R; Pinches, S D; Sangaroon, S; Wodniak, I

    2013-01-01

    Previous experiments on MAST and other tokamaks have indicated that the level of fast ion redistribution can exceed that expected from classical diffusion and that this level increases with beam power. In this paper we present a quantification of this effect in MAST plasmas using a recently commissioned scanning neutron camera. The observed fast ion diffusivity correlates with the amplitude of n=1 energetic particle modes, indicating that they are the probable cause of the non-classical fast ion diffusion in MAST. Finally, it will be shown that broadening the fast ion pressure profile by the application of neutral beam injection at an off-axis location can mitigate the growth of these modes and result in the classical fast ion behaviour

  5. Scintillator-based fast ion loss measurements in the EAST

    Science.gov (United States)

    Chang, J. F.; Isobe, M.; Ogawa, K.; Huang, J.; Wu, C. R.; Xu, Z.; Jin, Z.; Lin, S. Y.; Hu, L. Q.

    2016-11-01

    A new scintillator-based fast ion loss detector (FILD) has been installed on Experimental Advanced Superconducting Tokamak (EAST) to investigate the fast ion loss behavior in high performance plasma with neutral beam injection (NBI) and ion cyclotron resonance heating (ICRH). A two dimensional 40 mm × 40 mm scintillator-coated (ZnS:Ag) stainless plate is mounted in the front of the detector, capturing the escaping fast ions. Photons from the scintillator plate are imaged with a Phantom V2010 CCD camera. The lost fast ions can be measured with the pitch angle from 60° to 120° and the gyroradius from 10 mm to 180 mm. This paper will describe the details of FILD diagnostic on EAST and describe preliminary measurements during NBI and ICRH heating.

  6. A fast beam-ion instability

    Energy Technology Data Exchange (ETDEWEB)

    Stupakov, G.V. [Stanford Linear Accelerator Center, Menlo Park, CA (United States)

    1996-08-01

    The ionization of residual gas by an electron beam in an accelerator generates ions that can resonantly couple to the beam through a wave propagating in the beam-ion system. Results of the study of a beam-ion instability are presented for a multi-bunch train taking into account the decoherence of ion oscillations due to the ion frequency spread and spatial variation of the ion frequency. It is shown that the combination of both effects can substantially reduce the growth rate of the instability. (author)

  7. Sources and detectors of fast ions for basic devices

    OpenAIRE

    Furno, Ivo; Fasoli, Ambrogio; Plyushchev, Gennady

    2009-01-01

    The physics of supra thermal test ions in turbulent plasmas can be conveniently studied in basic plasma physics devices, which allow high-resolution measurements of plasma and fast ion parameters and wave fields throughout the whole plasma cross-section. We describe recent advances in the development of an experimental setup consisting of a non-perturbative Li 6+ miniaturized ion source and a detector for the investigation of the interaction between supra thermal ions and drift/interchange–dr...

  8. Simulation analysis for ion assisted fast ignition using structured targets

    Science.gov (United States)

    Sakagami, H.; Johzaki, T.; Sunahara, A.; Nagatomo, H.

    2016-05-01

    As the heating efficiency by fast electrons in the fast ignition scheme is estimated to be very low due to their large divergence angle and high energy. To mitigate this problem, low-density plastic foam, which can generate not only proton (H+) but also carbon (C6+) beams, can be introduced to currently used cone-guided targets and additional core heating by ions is expected. According to 2D PIC simulations, it is found that the ion beams also diverge by the static electric field and concave surface deformation. Thus structured targets are suggested to optimize ion beam characteristics, and their improvement and core heating enhancement by ion beams are confirmed.

  9. Fast ion collective Thomson scattering diagnostic for ITER: Design elements

    DEFF Research Database (Denmark)

    Tsakadze, Erekle; Bindslev, Henrik; Korsholm, Søren Bang

    2008-01-01

    The proposed fast ion collective Thomson scattering (CTS) diagnostic system for ITER provides the unique capability of measuring the temporally and spatially resolved velocity distribution of the confined fast ions and fusion alpha particles in a burning ITER plasma. The present paper describes t...... in the studies, and new HFS receiver mock-up measurements are presented as well as neutron flux calculations of the influence of the increased slot height....

  10. Existence domains of slow and fast ion-acoustic solitons in two-ion space plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Maharaj, S. K., E-mail: smaharaj@sansa.org.za [South African National Space Agency (SANSA) Space Science, P.O. Box 32, Hermanus 7200 (South Africa); Bharuthram, R., E-mail: rbharuthram@uwc.ac.za [University of the Western Cape, Robert Sobukwe Road, Bellville, 7535 (South Africa); Singh, S. V., E-mail: satyavir@iigs.iigm.res.in; Lakhina, G. S., E-mail: lakhina@iigs.iigm.res.in [Indian Institute of Geomagnetism, New Panvel (West), Navi Mumbai 410218 (India)

    2015-03-15

    A study of large amplitude ion-acoustic solitons is conducted for a model composed of cool and hot ions and cool and hot electrons. Using the Sagdeev pseudo-potential formalism, the scope of earlier studies is extended to consider why upper Mach number limitations arise for slow and fast ion-acoustic solitons. Treating all plasma constituents as adiabatic fluids, slow ion-acoustic solitons are limited in the order of increasing cool ion concentrations by the number densities of the cool, and then the hot ions becoming complex valued, followed by positive and then negative potential double layer regions. Only positive potentials are found for fast ion-acoustic solitons which are limited only by the hot ion number density having to remain real valued. The effect of neglecting as opposed to including inertial effects of the hot electrons is found to induce only minor quantitative changes in the existence regions of slow and fast ion-acoustic solitons.

  11. Cold molecular ions on a chip

    CERN Document Server

    Mokhberi, A

    2014-01-01

    We report the sympathetic cooling and Coulomb crystallization of molecular ions above the surface of an ion-trap chip. N$_2^+$ and CaH$^+$ ions were confined in a surface-electrode radiofrequency ion trap and cooled by the interaction with laser-cooled Ca$^{+}$ ions to secular translational temperatures in the millikelvin range. The configuration of trapping potentials generated by the surface electrodes enabled the formation of planar bicomponent Coulomb crystals and the spatial separation of the molecular from the atomic ions on the chip. The structural and thermal properties of the Coulomb crystals were characterized using molecular dynamics simulations. The present study extends chip-based trapping techniques to Coulomb-crystallized molecular ions with potential applications in mass spectrometry, cold chemistry, quantum information science and spectroscopy.

  12. Charge exchange spectroscopy as a fast ion diagnostic on TEXTORa)

    Science.gov (United States)

    Delabie, E.; Jaspers, R. J. E.; von Hellermann, M. G.; Nielsen, S. K.; Marchuk, O.

    2008-10-01

    An upgraded charge exchange spectroscopy diagnostic has been taken into operation at the TEXTOR tokamak. The angles of the viewing lines with the toroidal magnetic field are close to the pitch angles at birth of fast ions injected by one of the neutral beam injectors. Using another neutral beam for active spectroscopy, injected counter the direction in which fast ions injected by the first beam are circulating, we can simultaneously measure a fast ion tail on the blue wing of the Dα spectrum while the beam emission spectrum is Doppler shifted to the red wing. An analysis combining the two parts of the spectrum offers possibilities to improve the accuracy of the absolute (fast) ion density profiles. Fast beam modulation or passive viewing lines cannot be used for background subtraction on this diagnostic setup and therefore the background has to be modeled and fitted to the data together with a spectral model for the slowing down feature. The analysis of the fast ion Dα spectrum obtained with the new diagnostic is discussed.

  13. Glancing-angle scattering of fast ions at crystal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Mannami, Michihiko; Narumi, Kazumasa; Katoh, Humiya; Kimura, Kenji [Kyoto Univ. (Japan). Faculty of Engineering

    1997-03-01

    Glancing angle scattering of fast ions from a single crystal surface is a novel technique to study ion-surface interaction. Results of recent studies of ion-surface interaction are reviewed for ions with velocities faster than the Fermi velocity of solid. For the ions with velocities less than the Fermi velocity of target valence electrons the ion-surface interaction shows a new aspect where only the valence electrons of target solid participate in the stopping processes. It will show that the position-dependent stopping power of a surface for these ions governed by the elastic collisions of valence electrons and the ions. A method is proposed from this position-dependent stopping power to derived the electron density distribution averaged over the plane parallel to the surface. (author)

  14. Velocity-space tomography of the fast-ion distribution function

    DEFF Research Database (Denmark)

    Jacobsen, Asger Schou; Salewski, Mirko; Geiger, Benedikt;

    2013-01-01

    Fast ions play an important role in heating the plasma in a magnetic confinement fusion device. Fast-ion Dα(FIDA) spectroscopy diagnoses fast ions in small measurement volumes. Spectra measured by a FIDA diagnostic can be related to the 2D fast-ion velocity distribution function. A single FIDA vi...

  15. Peltier Refrigerators for Molecular Ion Sources

    Science.gov (United States)

    Hershcovitch, Ady

    2008-11-01

    Molecular ion sources have been considered for various applications. In particular, there is considerable effort to develop decaborane and octadecaborane ion sources for the semiconductor industry. Since the invention of the transistor, the trend has been to miniaturize semiconductor devices. As semiconductors become smaller (and get miniaturized), ion energy needed for implantation decreases, since shallow implantation is desired. But, due to space charge (intra-ion repulsion) effects, forming and transporting ion beams becomes a rather difficult task. These problems associated with lower energy ion beams limit implanter ion currents, thus leading to low production rates. One way to tackle the space charge problem is to use singly charged molecular ions. A crucial aspect in generating large molecular ion beam currents is ion source temperature control. Peltier coolers, which have in the past successfully utilized in BaF2 and CSI gamma ray detectors, may be ideal for this application. Clogging prevention of molecular ion sources is also a hurdle, which was overcome with special slots. Both topics are to be presented.

  16. Fast-ion Dα spectrum diagnostic in the EAST

    Science.gov (United States)

    Hou, Y. M.; Wu, C. R.; Huang, J.; Heidbrink, W. W.; von Hellermann, M. G.; Xu, Z.; Jin, Z.; Chang, J. F.; Zhu, Y. B.; Gao, W.; Chen, Y. J.; Lyu, B.; Hu, R. J.; Zhang, P. F.; Zhang, L.; Gao, W.; Wu, Z. W.; Yu, Y.; Ye, M. Y.

    2016-11-01

    In toroidal magnetic fusion devices, fast-ion D-alpha diagnostic (FIDA) is a powerful method to study the fast-ion feature. The fast-ion characteristics can be inferred from the Doppler shifted spectrum of Dα light according to charge exchange recombination process between fast ions and probe beam. Since conceptual design presented in the last HTPD conference, significant progress has been made to apply FIDA systems on the Experimental Advanced Superconducting Tokamak (EAST). Both co-current and counter-current neutral beam injectors are available, and each can deliver 2-4 MW beam power with 50-80 keV beam energy. Presently, two sets of high throughput spectrometer systems have been installed on EAST, allowing to capture passing and trapped fast-ion characteristics simultaneously, using Kaiser HoloSpec transmission grating spectrometer and Bunkoukeiki FLP-200 volume phase holographic spectrometer coupled with Princeton Instruments ProEM 1024B eXcelon and Andor DU-888 iXon3 1024 CCD camera, respectively. This paper will present the details of the hardware descriptions and experimental spectrum.

  17. Infrared spectroscopy of weakly bound molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, Lisa I-Ching

    1988-11-01

    The infrared spectra of a series of hydrated hydronium cluster ions and of protonated ethane ion are presented. A tandem mass spectrometer is ideally suited to obtaining the spectra of such weakly bound molecular ions. Traditional absorption spectroscopy is not feasible in these situations, so the techniques described in this thesis make use of some consequence of photon absorption with higher sensitivity than simply attenuation of laser power. That consequence is dissociation. By first mass selecting the parent ion under study and then mass selecting the fragment ion formed from dissociation, the near unit detection efficiency of ion counting methods has been used to full advantage.

  18. Ion beam requirements for fast ignition of inertial fusion targets

    CERN Document Server

    Honrubia, J J

    2015-01-01

    Ion beam requirements for fast ignition are investigated by numerical simulation taking into account new effects such as ion beam divergence not included before. We assume that ions are generated by the TNSA scheme in a curved foil placed inside a re-entrant cone and focused on the cone apex or beyond. From the focusing point to the compressed core ions propagate with a given divergence angle. Ignition energies are obtained for two compressed fuel configurations heated by proton and carbon ion beams. The dependence of the ignition energies on the beam divergence angle and on the position of the ion beam focusing point have been analysed. Comparison between TNSA and quasi-monoenergetic ions is also shown.

  19. Fast ion behavior during neutral beam injection in ATF

    Energy Technology Data Exchange (ETDEWEB)

    Wade, M.R.; Thomas, C.E.; Colchin, R.J.; Rome, J.A.; England, A.C.; Fowler, R.H. [Oak Ridge National Lab., TN (United States); Aceto, S.C. [Rensselaer Polytechnic Inst., Troy, NY (United States)

    1993-09-01

    In stellarators, single-particle confinement properties can be more complex than in their tokamak counterparts. Fast-ion behavior in tokamaks has been well characterized through an abundance of measurements on various devices and in general has been shown to be consistent with classical slowing-down theory, although anomalous ion behavior has been observed during intense beam injection in ISX-B, during fishbone instabilities in PDX, and in experiments on TFR. In contrast, fast ion behavior in stellarators is not as wel established experimentally with the primary experiments to date focusing o near-perpendicular or perpendicular neutral beam injection (NBI) on the Wendelstein 7-A stellarator (91 and Heliotron-E. This paper addresses fast-ion confinement properties in a large-aspect-ratio, moderate-shear stellarator, the Advanced Toroidal Facility, during tangential NBI. The primary data used in this study are the experimentally measured energy spectra of charge-exchange neutrals escaping from the plasma, using a two-dimensional scanning neutral particle analyzer. This diagnostic method is well established, having been used on several devices since the early 1970`s. Various aspects of fast-ion behavior are investigated by comparing these data with computed theoretical spectra based on energeticion distributions derived from the fastion Fokker-Planck equation. Ion orbits are studied by computer orbit following, by the computation of J* surfaces, and by Monte Carlo calculations.

  20. Multi-view fast-ion D-alpha spectroscopy diagnostic at ASDEX Upgrade

    Energy Technology Data Exchange (ETDEWEB)

    Geiger, B.; Dux, R.; McDermott, R. M.; Potzel, S.; Reich, M.; Ryter, F.; Weiland, M.; Wünderlich, D. [Max-Planck-Institut für Plasmaphysik, EURATOM Association, Boltzmannstr. 2, 85748 Garching (Germany); Garcia-Munoz, M. [Faculty of Physics, University of Seville, Seville (Spain); Collaboration: ASDEX Upgrade Team

    2013-11-15

    A novel fast-ion D-alpha (FIDA) diagnostic that is based on charge exchange spectroscopy has been installed at ASDEX Upgrade. The diagnostic uses a newly developed high-photon-throughput spectrometer together with a low-noise EM-CCD camera that allow measurements with 2 ms exposure time. Absolute intensities are obtained by calibrating the system with an integrating sphere and the wavelength dependence is determined to high accuracy using a neon lamp. Additional perturbative contributions to the spectra, such as D{sub 2}-molecular lines, the Stark broadened edge D-alpha emission, and passive FIDA radiation have been identified and can be subtracted or avoided experimentally. The FIDA radiation from fast deuterium ions after charge exchange reactions can therefore be analyzed continuously without superimposed line emissions at large Doppler shifts. Radial information on the fast ions is obtained from radially distributed lines of sight. The investigation of the fast-ion velocity distribution is possible due to three different viewing geometries. The independent viewing geometries access distinct parts of the fast-ion velocity space and make tomographic reconstructions possible.

  1. Molecular ion sources for low energy semiconductor ion implantation (invited)

    Energy Technology Data Exchange (ETDEWEB)

    Hershcovitch, A., E-mail: hershcovitch@bnl.gov [Brookhaven National Laboratory, Upton, New York 11973 (United States); Gushenets, V. I.; Bugaev, A. S.; Oks, E. M.; Vizir, A.; Yushkov, G. Yu. [High Current Electronics Institute, Siberian Branch of Russian Academy of Sciences, Tomsk 634055 (Russian Federation); Seleznev, D. N.; Kulevoy, T. V.; Kozlov, A.; Kropachev, G. N.; Kuibeda, R. P.; Minaev, S. [Institute for Theoretical and Experimental Physics, Moscow 117218 (Russian Federation); Dugin, S.; Alexeyenko, O. [State Scientific Center of the Russian Federation State Research Institute for Chemistry and Technology of Organoelement Compounds, Moscow (Russian Federation)

    2016-02-15

    Smaller semiconductors require shallow, low energy ion implantation, resulting space charge effects, which reduced beam currents and production rates. To increase production rates, molecular ions are used. Boron and phosphorous (or arsenic) implantation is needed for P-type and N-type semiconductors, respectively. Carborane, which is the most stable molecular boron ion leaves unacceptable carbon residue on extraction grids. A self-cleaning carborane acid compound (C{sub 4}H{sub 12}B{sub 10}O{sub 4}) was synthesized and utilized in the ITEP Bernas ion source resulting in large carborane ion output, without carbon residue. Pure gaseous processes are desired to enable rapid switch among ion species. Molecular phosphorous was generated by introducing phosphine in dissociators via 4PH{sub 3} = P{sub 4} + 6H{sub 2}; generated molecular phosphorous in a pure gaseous process was then injected into the HCEI Calutron-Bernas ion source, from which P{sub 4}{sup +} ion beams were extracted. Results from devices and some additional concepts are described.

  2. Magnetic molecular materials with paramagnetic lanthanide ions

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The diverse magnetic properties of lanthanide-based magnetic molecular materials are introduced in the following organization.First,the general aspects of magnetic molecular materials and electronic states of lanthanide ions are introduced.Then the structures and magnetic properties are described and analyzed for molecules with one lanthanide ion,4f-4f,4f-3d and 4f-p magnetic coupling interactions.In each section,magnetic coupling,magnetic ordering and magnetic relaxation phenomenon are briefly reviewed using some examples.Finally,some possibilities of developing magnetic molecular materials containing lanthanide ions are discussed in the outlook part.

  3. Polarization Bremsstrahlung in collissions of fast ions with multiatomic targets

    CERN Document Server

    Amusia, M Ya

    2013-01-01

    We consider the processes of polarization bremsstrahlung in collisions of fast ions with linear chains consisting of isolated atoms. We obtained intensities and angular distributions of radiation spectra for arbitrary number of atoms in the chain. It appeared that interference in the photon radiation amplitudes lead to prominent variation of spectral angular distributions of polarization bremsstrahlung as compared to these distribuitions in collisions with an isolated atom. The mean loss of energy due to radiation or the so-called rediative friction is estimated. The results obtained permit standard generalization to the case of polarization bremsstrahlung in fast ion chanelling above surfaces an and in solid body.

  4. Fast and efficient transport of large ion clouds

    CERN Document Server

    Kamsap, Marius Romuald; Champenois, Caroline; Guyomarc'H, Didier; Houssin, Marie; Knoop, Martina

    2015-01-01

    The manipulation of trapped charged particles by electric fields is an accurate, robust and reliable technique for many applications or experiments in high-precision spectroscopy. The transfer of the ion sample between multiple traps allows the use of a tailored environment in quantum information, cold chemistry, or frequency metrology experiments. In this article, we experimentally study the transport of ion clouds of up to 50 000 ions. The design of the trap makes ions very sensitive to any mismatch between the assumed electric potential and the actual local one. Nevertheless, we show that being fast (100 $\\mu$s to transfer over more than 20 mm) increases the transport efficiency to values higher than 90 %, even with a large number of ions. For clouds of less than 2000 ions, a 100 % transfer efficiency is observed.

  5. A low thermal mass fast gas chromatograph and its implementation in fast gas chromatography mass spectrometry with supersonic molecular beams.

    Science.gov (United States)

    Fialkov, Alexander B; Moragn, Mati; Amirav, Aviv

    2011-12-30

    A new type of low thermal mass (LTM) fast gas chromatograph (GC) was designed and operated in combination with gas chromatography mass spectrometry (GC-MS) with supersonic molecular beams (SMB), including GC-MS-MS with SMB, thereby providing a novel combination with unique capabilities. The LTM fast GC is based on a short capillary column inserted inside a stainless steel tube that is resistively heated. It is located and mounted outside the standard GC oven on its available top detector port, while the capillary column is connected as usual to the standard GC injector and supersonic molecular beam interface transfer line. This new type of fast GC-MS with SMB enables less than 1 min full range temperature programming and cooling down analysis cycle time. The operation of the fast GC-MS with SMB was explored and 1 min full analysis cycle time of a mixture of 16 hydrocarbons in the C(10)H(22) up to C(44)H(90) range was achieved. The use of 35 mL/min high column flow rate enabled the elution of C(44)H(90) in less than 45 s while the SMB interface enabled splitless acceptance of this high flow rate and the provision of dominant molecular ions. A novel compound 9-benzylazidanthracene was analyzed for its purity and a synthetic chemistry process was monitored for the optimization of the chemical reaction yield. Biodiesel was analyzed in jet fuel (by both GC-MS and GC-MS-MS) in under 1 min as 5 ppm fatty acid methyl esters. Authentic iprodion and cypermethrin pesticides were analyzed in grapes extract in both full scan mode and fast GC-MS-MS mode in under 1 min cycle time and explosive mixture including TATP, TNT and RDX was analyzed in under 1 min combined with exhibiting dominant molecular ion for TATP. Fast GC-MS with SMB is based on trading GC separation for speed of analysis while enhancing the separation power of the MS via the enhancement of the molecular ion in the electron ionization of cold molecules in the SMB. This paper further discusses several features of

  6. Distortion of He emission lines after fast-ion collisions

    Energy Technology Data Exchange (ETDEWEB)

    Arcuni, P.W.

    1985-01-01

    After excitation by fast ions (velocity = 2 to 5 au) the emission line profiles of doubly-excited helium atoms are observed to differ significantly from the normal shape of Beutler-Fano resonances. This difference is attributed to the Coulomb interaction between the emitted electron and the ion used to excite the atom. We explain the effect quantitatively with a simple classical model combined with a post-collision-interaction theory. 4 refs., 4 figs.

  7. Fast cooling of trapped ions using the dynamical Stark shift

    Energy Technology Data Exchange (ETDEWEB)

    Retzker, A [Institute for Mathematical Sciences, Imperial College London, SW7 2PE (United Kingdom); Plenio, M B [Institute for Mathematical Sciences, Imperial College London, SW7 2PE (United Kingdom)

    2007-08-15

    A laser cooling scheme for trapped ions is presented which is based on the fast dynamical Stark shift gate, described in (Jonathan et al 2000 Phys. Rev. A 62 042307). Since this cooling method does not contain an off resonant carrier transition, low final temperatures are achieved even in a traveling wave light field. The proposed method may operate in either pulsed or continuous mode and is also suitable for ion traps using microwave addressing in strong magnetic field gradients.

  8. Faraday-cup-type lost fast ion detector on Heliotron J

    Science.gov (United States)

    Yamamoto, S.; Ogawa, K.; Isobe, M.; Darrow, D. S.; Kobayashi, S.; Nagasaki, K.; Okada, H.; Minami, T.; Kado, S.; Ohshima, S.; Weir, G. M.; Nakamura, Y.; Konoshima, S.; Kemmochi, N.; Ohtani, Y.; Mizuuchi, T.

    2016-11-01

    A Faraday-cup type lost-fast ion probe (FLIP) has been designed and installed in Heliotron J for the purpose of the studies of interaction between fast ions and MHD instabilities. The FLIP can measure the co-going fast ions whose energy is in the range of 1.7-42.5 keV (proton) and pitch angle of 90∘-140∘, especially for fast ions having the injection energy of neutral beam injection (NBI). The FLIP successfully measured the re-entering passing ions and trapped lost-fast ions caused by fast-ion-driven energetic particle modes in NBI heated plasmas.

  9. Faraday-cup-type lost fast ion detector on Heliotron J.

    Science.gov (United States)

    Yamamoto, S; Ogawa, K; Isobe, M; Darrow, D S; Kobayashi, S; Nagasaki, K; Okada, H; Minami, T; Kado, S; Ohshima, S; Weir, G M; Nakamura, Y; Konoshima, S; Kemmochi, N; Ohtani, Y; Mizuuchi, T

    2016-11-01

    A Faraday-cup type lost-fast ion probe (FLIP) has been designed and installed in Heliotron J for the purpose of the studies of interaction between fast ions and MHD instabilities. The FLIP can measure the co-going fast ions whose energy is in the range of 1.7-42.5 keV (proton) and pitch angle of 90(∘)-140(∘), especially for fast ions having the injection energy of neutral beam injection (NBI). The FLIP successfully measured the re-entering passing ions and trapped lost-fast ions caused by fast-ion-driven energetic particle modes in NBI heated plasmas.

  10. Fast ion-atom and ion-molecule collisions

    CERN Document Server

    2013-01-01

    The principal goal of this book is to provide state-of-the art coverage of the non-relativistic three- and four-body theories at intermediate and high energy ion-atom and ion-molecule collisions. The focus is on the most frequently studied processes: electron capture, ionization, transfer excitation and transfer ionization. The content is suitable both for graduate students and experienced researchers. For these collisions, the literature has seen enormous renewal of activity in the development and applications of quantum-mechanical theories. This subject is of relevance in several branches of science and technology, like accelerator-based physics, the search for new sources of energy and high temperature fusion of light ions. Other important applications are in life sciences via medicine, where high-energy ion beams are used in radiotherapy for which a number of storage ring accelerators are in full operation, under construction or planned to be built worldwide. Therefore, it is necessary to review this fiel...

  11. Polarization Studies in Fast-Ion Beam Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Trabert, E

    2001-12-20

    In a historical review, the observations and the insight gained from polarization studies of fast ions interacting with solid targets are presented. These began with J. Macek's recognition of zero-field quantum beats in beam-foil spectroscopy as indicating alignment, and D.G. Ellis' density operator analysis that suggested the observability of orientation when using tilted foils. Lastly H. Winter's studies of the ion-beam surface interaction at grazing incidence yielded the means to produce a high degree of nuclear orientation in ion beams.

  12. Behavior of molecules and molecular ions near a field emitter

    CERN Document Server

    Gault, Baptiste; Ashton, Michael V; Sinnott, Susan B; Chiaramonti, Ann N; Moody, Michael P; Schreiber, Daniel K

    2015-01-01

    The cold emission of particles from surfaces under intense electric fields is a process which underpins a variety of applications including atom probe tomography (APT), an analytical microscopy technique with near-atomic spatial resolution. Increasingly relying on fast laser pulsing to trigger the emission, APT experiments often incorporate the detection of molecular ions emitted from the specimen, in particular from covalently or ionically bonded materials. Notably, it has been proposed that neutral molecules can also be emitted during this process. However, this remains a contentious issue. To investigate the validity of this hypothesis, a careful review of the literature is combined with the development of new methods to treat experimental APT data, the modelling of ion trajectories, and the application of density-functional theory (DFT) simulations to derive molecular ion energetics. It is demonstrated that the direct thermal emission of neutral molecules is extremely unlikely. However, neutrals can still...

  13. Fast Preparation of W States for Hot Trapped Ions

    Institute of Scientific and Technical Information of China (English)

    ZHENGShi-Biao

    2005-01-01

    A scheme is presented for generating W states for three or four trapped ions in thermal motion. The scheme works in the regime, where the Rabi frequency of the laser field is on the order of the trap frequency, resulting a fast entanglement speed, which is of importance in view of decoherence.

  14. Fast Preparation of W States for Hot Trapped Ions

    Institute of Scientific and Technical Information of China (English)

    ZHENG Shi-Biao

    2005-01-01

    A scheme is presented for generating W states for three o()four trapped ions in thermal motion. The scheme works in the regime, where the Rabi frequency of the laser field is on the order of the trap frequency, resulting a fast entanglement speed, which is of importance in view of decoherence.

  15. Fast ion swapping for quantum-information processing

    Science.gov (United States)

    Kaufmann, H.; Ruster, T.; Schmiegelow, C. T.; Luda, M. A.; Kaushal, V.; Schulz, J.; von Lindenfels, D.; Schmidt-Kaler, F.; Poschinger, U. G.

    2017-05-01

    We demonstrate a swap gate between laser-cooled ions in a segmented microtrap via fast physical swapping of the ion positions. This operation is used in conjunction with qubit initialization, manipulation, and readout and with other types of shuttling operations such as linear transport and crystal separation and merging. Combining these operations, we perform quantum process tomography of the swap gate, obtaining a mean process fidelity of 99.5(5)%. The swap operation is demonstrated with motional excitations below 0.05(1) quantum for all six collective modes of a two-ion crystal for a process duration of 42 μ s . Extending these techniques to three ions, we reverse the order of a three-ion crystal and reconstruct the truth table for this operation, resulting in a mean process fidelity of 99.96(13)% in the logical basis.

  16. Fasting: Molecular Mechanisms and Clinical Applications

    Science.gov (United States)

    Longo, Valter D.; Mattson, Mark P.

    2014-01-01

    Fasting has been practiced for millennia, but only recently studies have shed light on its role in adaptive cellular responses that reduce oxidative damage and inflammation, optimize energy metabolism and bolster cellular protection. In lower eukaryotes, chronic fasting extends longevity in part by reprogramming metabolic and stress resistance pathways. In rodents intermittent or periodic fasting protects against diabetes, cancers, heart disease and neurodegeneration, while in humans it helps reduce obesity, hypertension, asthma and rheumatoid arthritis. Thus, fasting has the potential to delay aging and help prevent and treat diseases while minimizing the side effects caused by chronic dietary interventions. PMID:24440038

  17. Understanding ion association states and molecular dynamics using infrared spectroscopy

    Science.gov (United States)

    Masser, Hanqing

    microphase separates from the PEO-rich microphase, and ionic groups are preferentially solvated by PEO chains and reside in the PEO-rich microphase. As the ratio of PTMO increases, the fraction of aggregates increases, resulting in more highly coordinated aggregation states. Results on ion association states are in good agreement with previous results on ion conductivity, polymer dynamics and morphology. The effects of ion content, cation type and ionic side chain structure on ion association states are systemically studied in a series of ionomers with short ethylene oxide and ionic sulfonated styrene side chains, and then correlated to the ion and polymer dynamic characterization. It is found that ionomers with modest ion content, large cation and styrene ionic side chain have the most "free ions" and ion pairs, and highest ion conductivity. Ion conduction in ionomers is optimized by systematically changing their chemical structures. In addition to knowledge of ion association states, a IR band shape also contains information on molecular dynamics. In companion investigation, the vibrational relaxation and dynamic transitions of conformationally insensitive normal modes in two different polymer systems (atactic polystyrene and deuterated poly(methyl methacrylate)) are studied. The information on vibrational relaxations is resolved by conducting precisely controlled FTIR experiments, applying specialized curve resolving data analysis, and calculating time correlation functions through numerical Fourier transformation. The vibrational relaxations of these modes can be described by a two process model: a fast process on the time scale of 0.01 ps, which is inhomogeneously broadened by a slow process on the time scale of picoseconds.

  18. Fragmentation of metastable molecular ions of acetylanisoles

    Science.gov (United States)

    Sekiguchi, Osamu; Noguchi, Tsutomu; Ogino, Kazuo; Tajima, Susumu

    1994-04-01

    The spontaneous unimolecular dissociation reactions of the molecular ions of ortho-, meta- and para-acetylanisoles have been investigated by mass-analyzed ion kinetic energy spectrometry, high resolution mass spectrometry and deuterium labelling. Losses of CH3. from the molecular ions of all isomers occur exclusively from the acetyl group. The loss of CH3. for the o-isomer consists of two processes, i.e. one of them is a simple cleavage, and the other is a rearrangement. The latter is not observed for the m- and p-isomers. The loss of H2O from the molecular ion is also unique for the o-isomer, and the fragmentation mechanism is also explored.

  19. Carbon-based ion and molecular channels

    Science.gov (United States)

    Sint, Kyaw; Wang, Boyang; Kral, Petr

    2008-03-01

    We design ion and molecular channels based on layered carboneous materials, with chemically-functionalized pore entrances. Our molecular dynamics simulations demonstrate that these ultra-narrow pores, with diameters around 1 nm, are highly selective to the charges and sizes of the passing (Na^+ and Cl^-) ions and short alkanes. We demonstrate that the molecular flows through these pores can be easily controlled by electrical and mechanical means. These artificial pores could be integrated in fluidic nanodevices and lab-on-a-chip techniques with numerous potential applications. [1] Kyaw Sint, Boyang Wang and Petr Kral, submitted. [2] Boyang Wang and Petr Kral, JACS 128, 15984 (2006).

  20. Magnetic Configuration Effects on Fast Ion Losses Induced by Fast Ion Driven Toroidal Alfven Eigenmodes in the Large Helical Device

    Energy Technology Data Exchange (ETDEWEB)

    Ogawa, K. [Nagoya University, Japan; Isobe, M. [National Institute for Fusion Science, Toki, Japan; Watanabe, F. [Kyoto University, Japan; Spong, Donald A [ORNL; Shimizu, A. [National Institute for Fusion Science, Toki, Japan; Osakabe, M. [National Institute for Fusion Science, Toki, Japan; Ohdachi, S. [National Institute for Fusion Science, Toki, Japan; Sakakibara, S. [National Institute for Fusion Science, Toki, Japan

    2012-01-01

    Beam-ion losses induced by fast-ion-driven toroidal Alfven eigenmodes (TAE) were measured with a scintillator-based lost fast-ion probe (SLIP) in the large helical device (LHD). The SLIP gave simultaneously the energy E and the pitch angle chi = arccos(v(parallel to)/v) distribution of the lost fast ions. The loss fluxes were investigated for three typical magnetic configurations of R{sub ax{_}vac} = 3.60 m, 3.75 m, and 3.90 m, where R{sub ax{_}vac} is the magnetic axis position of the vacuum field. Dominant losses induced by TAEs in these three configurations were observed in the E/chi regions of 50 similar to 190 keV/40 degrees, 40 similar to 170 keV/25 degrees, and 30 similar to 190 keV/30 degrees, respectively. Lost-ion fluxes induced by TAEs depend clearly on the amplitude of TAE magnetic fluctuations, R{sub ax{_}vac} and the toroidal field strength B{sub t}. The increment of the loss fluxes has the dependence of (b{sub TAE}/B{sub t}){sup s}. The power s increases from s = 1 to 3 with the increase of the magnetic axis position in finite beta plasmas.

  1. Fast thermometry for trapped ions using dark resonances

    CERN Document Server

    Roßnagel, Johannes; Schmidt-Kaler, Ferdinand; Singer, Kilian

    2014-01-01

    We experimentally demonstrate a method to determine the temperature of trapped ions which is suitable for monitoring fast thermalization processes. We show that observing and analyzing the lineshape of dark resonances in the fluorescence spectrum provides a temperature measurement which accurate over a large dynamic range, applied to single ions and small ion crystals. Laser induced fluorescence is detected over a time of only $20\\,\\mu$s allowing for rapid determination of the ion temperature. In the measurement range of $10^{-1}-10^{+2}\\,$mK we reach better than $15\\,\\%$ accuracy. Tuning the cooling laser to selected resonance features allows for controlling the ion temperatures between $0.7\\,$mK and more than $10\\,$mK. Experimental work is supported by a solution of the 8-level optical Bloch equations when including the ions classical motion. This technique paves the way for many experiments comprising heat transport in ion strings, heat engines, non-equilibrium thermodynamics or thermometry of large ion cr...

  2. Coincidence ion imaging with a fast frame camera

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Suk Kyoung; Cudry, Fadia; Lin, Yun Fei; Lingenfelter, Steven; Winney, Alexander H.; Fan, Lin; Li, Wen, E-mail: wli@chem.wayne.edu [Department of Chemistry, Wayne State University, Detroit, Michigan 48202 (United States)

    2014-12-15

    A new time- and position-sensitive particle detection system based on a fast frame CMOS (complementary metal-oxide semiconductors) camera is developed for coincidence ion imaging. The system is composed of four major components: a conventional microchannel plate/phosphor screen ion imager, a fast frame CMOS camera, a single anode photomultiplier tube (PMT), and a high-speed digitizer. The system collects the positional information of ions from a fast frame camera through real-time centroiding while the arrival times are obtained from the timing signal of a PMT processed by a high-speed digitizer. Multi-hit capability is achieved by correlating the intensity of ion spots on each camera frame with the peak heights on the corresponding time-of-flight spectrum of a PMT. Efficient computer algorithms are developed to process camera frames and digitizer traces in real-time at 1 kHz laser repetition rate. We demonstrate the capability of this system by detecting a momentum-matched co-fragments pair (methyl and iodine cations) produced from strong field dissociative double ionization of methyl iodide.

  3. Shutterless ion mobility spectrometer with fast pulsed electron source

    Science.gov (United States)

    Bunert, E.; Heptner, A.; Reinecke, T.; Kirk, A. T.; Zimmermann, S.

    2017-02-01

    Ion mobility spectrometers (IMS) are devices for fast and very sensitive trace gas analysis. The measuring principle is based on an initial ionization process of the target analyte. Most IMS employ radioactive electron sources, such as 63Ni or 3H. These radioactive materials have the disadvantage of legal restrictions and the electron emission has a predetermined intensity and cannot be controlled or disabled. In this work, we replaced the 3H source of our IMS with 100 mm drift tube length with our nonradioactive electron source, which generates comparable spectra to the 3H source. An advantage of our emission current controlled nonradioactive electron source is that it can operate in a fast pulsed mode with high electron intensities. By optimizing the geometric parameters and developing fast control electronics, we can achieve very short electron emission pulses for ionization with high intensities and an adjustable pulse width of down to a few nanoseconds. This results in small ion packets at simultaneously high ion densities, which are subsequently separated in the drift tube. Normally, the required small ion packet is generated by a complex ion shutter mechanism. By omitting the additional reaction chamber, the ion packet can be generated directly at the beginning of the drift tube by our pulsed nonradioactive electron source with only slight reduction in resolving power. Thus, the complex and costly shutter mechanism and its electronics can also be omitted, which leads to a simple low-cost IMS-system with a pulsed nonradioactive electron source and a resolving power of 90.

  4. Conceptual design of the ITER fast-ion loss detector

    Science.gov (United States)

    Garcia-Munoz, M.; Kocan, M.; Ayllon-Guerola, J.; Bertalot, L.; Bonnet, Y.; Casal, N.; Galdon, J.; Garcia Lopez, J.; Giacomin, T.; Gonzalez-Martin, J.; Gunn, J. P.; Jimenez-Ramos, M. C.; Kiptily, V.; Pinches, S. D.; Rodriguez-Ramos, M.; Reichle, R.; Rivero-Rodriguez, J. F.; Sanchis-Sanchez, L.; Snicker, A.; Vayakis, G.; Veshchev, E.; Vorpahl, Ch.; Walsh, M.; Walton, R.

    2016-11-01

    A conceptual design of a reciprocating fast-ion loss detector for ITER has been developed and is presented here. Fast-ion orbit simulations in a 3D magnetic equilibrium and up-to-date first wall have been carried out to revise the measurement requirements for the lost alpha monitor in ITER. In agreement with recent observations, the simulations presented here suggest that a pitch-angle resolution of ˜5° might be necessary to identify the loss mechanisms. Synthetic measurements including realistic lost alpha-particle as well as neutron and gamma fluxes predict scintillator signal-to-noise levels measurable with standard light acquisition systems with the detector aperture at ˜11 cm outside of the diagnostic first wall. At measurement position, heat load on detector head is comparable to that in present devices.

  5. Fast ion generation and bulk plasma heating with three-ion ICRF scenarios

    Energy Technology Data Exchange (ETDEWEB)

    Kazakov, Ye. O., E-mail: yevgen.kazakov@rma.ac.be; Van Eester, D.; Ongena, J.; Lerche, E.; Messiaen, A. [Laboratory for Plasma Physics, LPP-ERM/KMS, EUROfusion Consortium Member, Brussels (Belgium); Dumont, R. [CEA, IRFM, F-13108 Saint-Paul-lez-Durance (France)

    2015-12-10

    Launching electromagnetic waves in the ion cyclotron range of frequencies (ICRF) is an efficient method of plasma heating, actively employed in most of fusion machines. ICRF has a number of important supplementary applications, including the generation of high-energy ions. In this paper, we discuss a new set of three-ion ICRF scenarios and the prospect of their use as a dedicated tool for fast ion generation in tokamaks and stellarators. A distinct feature of these scenarios is a strong absorption efficiency possible at very low concentrations of resonant minority ions (∼ 1% or even below). Such concentration levels are typical for impurities contaminating fusion plasmas. An alternative ICRF scenario for maximizing the efficiency of bulk D-T ion heating is suggested for JET and ITER tokamaks, which is based on three-ion ICRF heating of intrinsic Beryllium impurities.

  6. Fast ion generation and bulk plasma heating with three-ion ICRF scenarios

    Science.gov (United States)

    Kazakov, Ye. O.; Van Eester, D.; Dumont, R.; Ongena, J.; Lerche, E.; Messiaen, A.

    2015-12-01

    Launching electromagnetic waves in the ion cyclotron range of frequencies (ICRF) is an efficient method of plasma heating, actively employed in most of fusion machines. ICRF has a number of important supplementary applications, including the generation of high-energy ions. In this paper, we discuss a new set of three-ion ICRF scenarios and the prospect of their use as a dedicated tool for fast ion generation in tokamaks and stellarators. A distinct feature of these scenarios is a strong absorption efficiency possible at very low concentrations of resonant minority ions (˜ 1% or even below). Such concentration levels are typical for impurities contaminating fusion plasmas. An alternative ICRF scenario for maximizing the efficiency of bulk D-T ion heating is suggested for JET and ITER tokamaks, which is based on three-ion ICRF heating of intrinsic Beryllium impurities.

  7. FIFPC, a fast ion Fokker--Planck code

    Energy Technology Data Exchange (ETDEWEB)

    Fowler, R.H.; Callen, J.D.; Rome, J.A.; Smith, J.

    1976-07-01

    A computer code is described which solves the Fokker--Planck equation for the velocity space distribution of fast ions injected into a tokamak plasma. The numerical techniques are described and use of the code is outlined. The program is written in FORTRAN IV and is modularized in order to provide greater flexibility to the user. A program listing is provided and the results of sample cases are presented.

  8. Mean excitation energies for molecular ions

    DEFF Research Database (Denmark)

    Jensen, Phillip W. K.; Sauer, Stephan P. A.; Oddershede, Jens;

    2017-01-01

    The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase...... with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state...... contributing to the mean excitation energy....

  9. Mean excitation energies for molecular ions

    Science.gov (United States)

    Jensen, Phillip W. K.; Sauer, Stephan P. A.; Oddershede, Jens; Sabin, John R.

    2017-03-01

    The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

  10. Mean excitation energies for molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Phillip W.K.; Sauer, Stephan P.A. [Department of Chemistry, University of Copenhagen, Copenhagen (Denmark); Oddershede, Jens [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States); Sabin, John R., E-mail: sabin@qtp.ufl.edu [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States)

    2017-03-01

    The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

  11. Collective Thomson scattering measurements of fast-ion transport due to sawtooth crashes in ASDEX Upgrade

    DEFF Research Database (Denmark)

    Rasmussen, Jesper; Nielsen, Stefan Kragh; Pedersen, Morten Stejner;

    2016-01-01

    Sawtooth instabilities can modify heating and current-drive profiles and potentially increase fast-ion losses. Understanding how sawteeth redistribute fast ions as a function of sawtooth parameters and of fast-ion energy and pitch is hence a subject of particular interest for future fusion device...

  12. Dynamics of fast ions during sawtooth oscillations in the TEXTOR tokamak measured by collective Thomson scattering

    NARCIS (Netherlands)

    Nielsen, S.K.; Salewski, M.; Bindslev, H.; Burger, A.; Furtula, V.; Kantor, M.; Korsholm, S. B.; Koslowski, H. R.; Kramer-Flecken, A.; Leipold, F.; Meo, F.; Michelsen, P. K.; Moseev, D.; Oosterbeek, J. W.; Stejner, M.; Westerhof, E.

    2011-01-01

    Experimental investigations of sawteeth interaction with fast ions measured by collective Thomson scattering on TEXTOR are presented. Time-resolved measurements of localized 1D fast-ion distribution functions allow us to study fast-ion dynamics during several sawtooth cycles. Sawtooth oscillations

  13. Collective Thomson scattering measurements of fast-ion transport due to sawtooth crashes in ASDEX Upgrade

    DEFF Research Database (Denmark)

    Rasmussen, Jesper; Nielsen, Stefan Kragh; Pedersen, Morten Stejner

    2016-01-01

    Sawtooth instabilities can modify heating and current-drive profiles and potentially increase fast-ion losses. Understanding how sawteeth redistribute fast ions as a function of sawtooth parameters and of fast-ion energy and pitch is hence a subject of particular interest for future fusion devices...

  14. Dynamics of fast ions during sawtooth oscillations in the TEXTOR tokamak measured by collective Thomson scattering

    DEFF Research Database (Denmark)

    Nielsen, Stefan Kragh; Salewski, Mirko; Bindslev, Henrik

    2011-01-01

    Experimental investigations of sawteeth interaction with fast ions measured by collective Thomson scattering on TEXTOR are presented. Time-resolved measurements of localized 1D fast-ion distribution functions allow us to study fast-ion dynamics during several sawtooth cycles. Sawtooth oscillation...

  15. Longitudinal dynamics of laser-cooled fast ion beams

    DEFF Research Database (Denmark)

    Weidemüller, M.; Eike, B.; Eisenbarth, U.

    1999-01-01

    We present recent results of our experiments on laser cooling of fast stored ion beams at the Heidelberg Test Storage Ring. The longitudinal motion of the ions is directly cooled by the light pressure force, whereas efficient transverse cooling is obtained indirectly by longitudinal......-transverse coupling mechanisms. Laser cooling in novel bunch forms consisting of square-well buckets leads to longitudinally space-charge dominated beams. The observed longitudinal ion density distributions can be well described by a self-consistent mean-field model based on a thermodynamic Debye-Huckel approach....... When applying laser cooling in square-well buckets over long time intervals, hard Coulomb collisions suddenly disappear and the longitudinal temperature drops by about a factor of three. The observed longitudinal behaviour of the beam shows strong resemblance with the transition to an Coulomb...

  16. Collisions of antiprotons with hydrogen molecular ions

    DEFF Research Database (Denmark)

    Lühr, Armin Christian; Saenz, Alejandro

    2009-01-01

    Time-dependent close-coupling calculations of the ionization and excitation cross section for antiproton collisions with molecular hydrogen ions are performed in an impact energy range from 0.5 keV to 10 MeV. The Born-Oppenheimer and Franck-Condon approximations as well as the impact parameter...

  17. Multiple Fast Molecular Outflows in the PPN CRL 618

    CERN Document Server

    Lee, Chin-Fei; Contreras, Carmen Sánchez; Huang, Po-Sheng; Tay, Jeremy Jian Hao

    2013-01-01

    CRL 618 is a well-studied pre-planetary nebula. It has multiple highly collimated optical lobes, fast molecular outflows along the optical lobes, and an extended molecular envelope that consists of a dense torus in the equator and a tenuous round halo. Here we present our observations of this source in CO J=3-2 and HCN J=4-3 obtained with the Submillimeter Array at up to ~ 0.3" resolutions. We spatially resolve the fast molecular-outflow region previously detected in CO near the central star and find it to be composed of multiple outflows that have similar dynamical ages, and are oriented along the different optical lobes. We also detect fast molecular outflows further away from the central star near the tips of the extended optical lobes and a pair of equatorial outflows inside the dense torus. We find that two episodes of bullet ejections in different directions are needed, one producing the fast molecular outflows near the central star, and one producing the fast molecular outflows near the tips of the ext...

  18. Interplay between fast ions and turbulence in magnetic fusion plasmas

    Science.gov (United States)

    Dumont, R. J.; Zarzoso, D.; Sarazin, Y.; Garbet, X.; Strugarek, A.; Abiteboul, J.; Cartier-Michaud, T.; Dif-Pradalier, G.; Ghendrih, Ph; Girardo, J.-B.; Grandgirard, V.; Latu, G.; Passeron, C.; Thomine, O.

    2013-12-01

    Evidence for the impact of energetic particles (EPs) on turbulence is given in this paper. Firstly, the excitation of electrostatic instabilities in linear gyrokinetic simulations performed with the global GYSELA code by introducing distribution functions typical of fast ions in tokamak plasmas is presented. The obtained mode is unambiguously characterized as an EGAM, i.e. a geodesic acoustic mode (GAM) excited by EPs. The influence of EGAMs on turbulence and associated transport is then analyzed by implementing a source adapted to the inclusion of fast particle populations in non-linear simulations. This source successfully excites EGAMs in the presence of turbulence, which leads to a drastic reduction of the turbulent transport. However, this reduction is only transient; it is followed by an increase of the turbulent activity, characterized by a complex interaction between the EGAMs and the turbulence. In the subsequent steady-state regime, turbulent transport appears to be modulated at the EGAM frequency.

  19. Measurement of a 2D fast-ion velocity distribution function by tomographic inversion of fast-ion D-alpha spectra

    DEFF Research Database (Denmark)

    Salewski, Mirko; Geiger, B.; Jacobsen, Asger Schou

    2014-01-01

    We present the first measurement of a local fast-ion 2D velocity distribution function f(v‖, v⊥). To this end, we heated a plasma in ASDEX Upgrade by neutral beam injection and measured spectra of fast-ion Dα (FIDA) light from the plasma centre in three views simultaneously. The measured spectra ...

  20. Progress on Bayesian Inference of the Fast Ion Distribution Function

    DEFF Research Database (Denmark)

    Stagner, L.; Heidbrink, W.W,; Chen, X.;

    2013-01-01

    The fast-ion distribution function (DF) has a complicated dependence on several phase-space variables. The standard analysis procedure in energetic particle research is to compute the DF theoretically, use that DF in forward modeling to predict diagnostic signals, then compare with measured data...... sensitivity of the measurements are incorporated into Bayesian likelihood probabilities. Prior probabilities describe physical constraints. This poster will show reconstructions of classically described, low-power, MHD-quiescent distribution functions from actual FIDA measurements. A description of the full...

  1. Fast molecular jet from L1157-mm

    CERN Document Server

    Tafalla, M; Lefloch, B; Rodríguez-Fernández, N; Codella, C; López-Sepulcre, A; Podio, L

    2014-01-01

    L1157-mm powers a molecular outflow that is well-known for its shock-induced chemical activity in several hot-spots. We have studied the molecular emission toward L1157-mm searching for a jet component responsible for these spots. We used the IRAM 30m telescope to observe the vicinity of L1157-mm in several lines of SiO. The SiO(5-4) and SiO(6-5) spectra toward L1157-mm present blue and red detached components about 45 km/s away from the ambient cloud. These extremely high-velocity (EHV) components are similar to those found in the L1448 and IRAS 04166+2706 outflows, and probably arise from a molecular jet driven by L1157-mm. Observations of off-center positions indicate that the jet is unresolved in SiO(5-4) (<11"). The EHV jet seen in SiO probably excites L1157-B1 and the other chemically active spots of the L1157 outflow.

  2. Fast heavy-ion radiation damage of glycine in aqueous solution

    Science.gov (United States)

    Nomura, Shinji; Tsuchida, Hidetsugu; Furuya, Ryosuke; Majima, Takuya; Itoh, Akio

    2016-12-01

    Fast heavy-ion radiolysis of biomolecules in aqueous solution is investigated for an atomistic understanding of radiation damage to normal cells during heavy-particle beam therapy. The smallest amino acid glycine was used as a model biomaterial. Microjets of aqueous glycine solutions under vacuum were irradiated with 4.0-MeV carbon ions corresponding to energies in the Bragg peak region. To understand the effects of the water environment on molecular damage, the yield of glycine dissociation was measured by secondary ion mass spectroscopy. The yield was significantly reduced relative to gas-phase glycine targets. This implies that the numerous water molecules surrounding a single glycine molecule act as a buffer that suppresses dissociation. This is an environmental effect similar to that observed for other biomolecular cluster targets.

  3. Elastic wave from fast heavy ion irradiation on solids

    Science.gov (United States)

    Kambara, T.; Kageyama, K.; Kanai, Y.; Kojima, T. M.; Nanai, Y.; Yoneda, A.; Yamazaki, Y.

    2002-06-01

    To study the time-dependent mechanical effects of fast heavy ion irradiations, we have irradiated various solids by a short-bunch beam of 95 MeV/u Ar ions and observed elastic waves generated in the bulk. The irradiated targets were square-shaped plates of poly-crystals of metals (Al and Cu), invar alloy, ceramic (Al 2O 3), fused silica (SiO 2) and single crystals of KC1 and LiF with a thickness of 10 mm. The beam was incident perpendicular to the surface and all ions were stopped in the target. Two piezo-electric ultrasonic sensors were attached to the surface of the target and detected the elastic waves. The elastic waveforms as well as the time structure and intensity of the beam bunch were recorded for each shot of a beam bunch. The sensor placed opposite to the beam spot recorded a clear waveform of the longitudinal wave across the material, except for the invar and fused silica targets. From its propagation time along with the sound velocity and the thickness of the target, the depth of the wave source was estimated. The result was compared with ion ranges calculated for these materials by TRIM code.

  4. Ion channels: molecular targets of neuroactive insecticides.

    Science.gov (United States)

    Raymond-Delpech, Valérie; Matsuda, Kazuhiko; Sattelle, Benedict M; Rauh, James J; Sattelle, David B

    2005-11-01

    Many of the insecticides in current use act on molecular targets in the insect nervous system. Recently, our understanding of these targets has improved as a result of the complete sequencing of an insect genome, i.e., Drosophila melanogaster. Here we examine the recent work, drawing on genetics, genomics and physiology, which has provided evidence that specific receptors and ion channels are targeted by distinct chemical classes of insect control agents. The examples discussed include, sodium channels (pyrethroids, p,p'-dichlorodiphenyl-trichloroethane (DDT), dihydropyrazoles and oxadiazines); nicotinic acetylcholine receptors (cartap, spinosad, imidacloprid and related nitromethylenes/nitroguanidines); gamma-aminobutyric acid (GABA) receptors (cyclodienes, gamma-BHC and fipronil) and L-glutamate receptors (avermectins). Finally, we have examined the molecular basis of resistance to these molecules, which in some cases involves mutations in the molecular target, and we also consider the future impact of molecular genetic technologies in our understanding of the actions of neuroactive insecticides.

  5. Dissociation mechanisms of photoexcited molecular ions

    CERN Document Server

    Inglis, L C

    2003-01-01

    Photoionisation of gas phase molecules, in the energy range 8 - 40 eV, and the subsequent dissociation mechanisms have been investigated using threshold photoelectron spectroscopy and ion time-of-flight mass spectrometry. The excitation source used was monochromatic radiation, delivered by station 3.2 at the Daresbury Laboratory Synchrotron Radiation Source. These two techniques have also been combined in threshold photoelectron-photoion coincidence experiments, in order to record coincidence time-of-flight mass spectra and thereby determine breakdown curves. Such curves display the ion fragmentation as a function of internal energy. In addition, computer modelling techniques have been employed to gain some understanding of the unimolecular dissociations of energy selected molecular ions by establishing theoretical breakdown graphs, appearance energies, fragmentation pathways and dissociation rates. Ab initio quantum chemistry calculations have been carried out, generating ionisation and appearance energies, ...

  6. Methods to determine fast-ion distribution functions from multi-diagnostic measurements

    DEFF Research Database (Denmark)

    Jacobsen, Asger Schou; Salewski, Mirko

    Understanding the behaviour of fast ions in a fusion plasma is very important, since the fusion-born alpha particles are expected to be the main source of heating in a fusion power plant. Preferably, the entire fast-ion velocity-space distribution function would be measured. However, no fast...

  7. Li mobility in fast ion conductors followed by NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sanz, J.

    2010-07-01

    Structural features that enhance Li mobility in fast ion conductors with perovskite (Li{sub 3}xLa{sub 2}/3-xTiO{sub 3} series) and Nasicon structure (Li{sub 1}+xTi{sub 2}-xAl{sub x} (PO{sub 4}){sub 3} series) have been investigated. From the analysis of quadrupolar interactions, the local symmetry and exchange processes between structural sites occupied by lithium have been deduced to investigate local motions of lithium in conduction paths of analyzed compounds. The study of spin-lattice (T{sub 1}) and spin-spin (T{sub 2}) relaxation times made possible the analysis of the temperature dependence of Li residence times at structural sites. The comparison of these values with those deduced from conductivity (ac and dc-measurements) allowed the study of Li-motion mechanisms. The onset of long range motions requires the analysis of low frequency measurements (T{sub 2} relaxation and dc-conductivity). The non- Arrhenius behaviour, often observed in fast ion conductors, has been ascribed to order/disorder transitions. At increasing temperatures, Li motions become less correlated, producing the decrement of activation energy. In analyzed compounds, a direct measurement of diffusion coefficients has been obtained from NMR experiments performed with the pulse field gradient (PFG) technique. Finally, it is emphasized the importance of the vacancy percolation in conductivity processes. (Author)

  8. Modeling Fast Ion Transport in TAE Avalanches in NSTX

    Energy Technology Data Exchange (ETDEWEB)

    Fredrickson, E D; Bell, R E; Darrow, D; Gorelenkov, N N; Kramer, G; Kubota, S; Levinton, F M; Liu, D; Medley, S S; Podesta, M; Tritz, K

    2009-08-17

    Experiments on the National Spherical Torus Experiment [M. Ono, et al., Nucl. Fusion 40 (2000) 557 ] have found strong bursts of Toroidal Alfven Eigenmode (TAE) activity correlated with abrupt drops in the neutron rate. A fairly complete data set offers the opportunity to benchmark the NOVA [C. Z. Cheng, Phys. Reports 211, 1-51 (1992)] and ORBIT [R. B. White and M. S. Chance, Phys. Fluids 27, 2455 (1984)] codes in the low aspect ratio tokamak (ST) geometry. The internal structure of TAE were modeled with NOVA and good agreement is found with measurements made with an array of five fixed-frequency reflectometers. The fast-ion transport resulting from these bursts of multiple TAE were then modeled with the ORBIT code. The simulations are reasonably consistent with the observed drop in neutron rate. While these results represent our best attempts to find agreement, we believe that further refinements in both the simulation of the TAE structure and in the modeling of the fast ion transport are needed. Benchmarking stability codes against present experiments is an important step in developing the predictive capability needed to plan future experiments.

  9. Dissociative Recombination of Molecular Ions for Astrochemistry

    Science.gov (United States)

    Novotny, Oldrich; Becker, A.; Buhr, H.; Fleischmann, Andreas; Gamer, Lisa; Geppert, W.; Krantz, C.; Kreckel, H.; Schwalm, D.; Spruck, K.; Wolf, A.; Savin, Daniel Wolf

    2014-06-01

    Dissociative recombination (DR) of molecular ions is a key chemical process in the cold interstellar medium (ISM). DR affects the composition, charge state, and energy balance of such environments. Astrochemical models of the ISM require reliable total DR cross sections as well as knowledge of the chemical composition of the neutral DR products. We have systematically measured DR for many astrophysically relevant molecular ions utilizing the TSR storage ring at the Max-Planck-Institute for Nuclear Physics (MPIK) in Heidelberg, Germany. We used the merged ion-electron beam technique combined with an energy- and position-sensitive imaging detector and are able to study DR down to plasma temperatures as low as 10 K. The DR count rate is used to obtain an absolute merged beams DR rate coefficient from which we can derive a thermal rate coefficient needed for plasma models. Additionally we determine the masses of the DR products by measuring their kinetic energy in the laboratory reference frame. This allows us to assign particular DR fragmentation channels and to obtain their branching ratios. All this information is particularly important for understanding DR of heteronuclear polyatomic ions. We will present DR results for several ions recently investigated at TSR. A new Cryogenic Storage Ring (CSR) is currently being commissioned at MPIK. With the chamber cooled down to ~10 K and a base pressure better than 10-13 mbar, this setup will allow internal cooling of the stored ions down to their rotational ground states, thus opening a new era in DR experiments. New technological challenges arise due to the ultracold, ultra-high vacuum environment of the CSR and thus the detection techniques used at TSR cannot be easily transferred to CSR. We will present new approaches for DR fragment detection in cryogenic environment. This work is supported in part by NASA and the NSF.

  10. A fast feedback controlled magnetic drive for the ASDEX Upgrade fast-ion loss detectors

    Science.gov (United States)

    Ayllon-Guerola, J.; Gonzalez-Martin, J.; Garcia-Munoz, M.; Rivero-Rodriguez, J.; Herrmann, A.; Vorbrugg, S.; Leitenstern, P.; Zoletnik, S.; Galdon, J.; Garcia Lopez, J.; Rodriguez-Ramos, M.; Sanchis-Sanchez, L.; Dominguez, A. D.; Kocan, M.; Gunn, J. P.; Garcia-Vallejo, D.; Dominguez, J.

    2016-11-01

    A magnetically driven fast-ion loss detector system for the ASDEX Upgrade tokamak has been designed and will be presented here. The device is feedback controlled to adapt the detector head position to the heat load and physics requirements. Dynamic simulations have been performed taking into account effects such as friction, coil self-induction, and eddy currents. A real time positioning control algorithm to maximize the detector operational window has been developed. This algorithm considers dynamical behavior and mechanical resistance as well as measured and predicted thermal loads. The mechanical design and real time predictive algorithm presented here may be used for other reciprocating systems.

  11. Elastic wave from fast heavy ion irradiation on solids

    CERN Document Server

    Kambara, T; Kanai, Y; Kojima, T M; Nanai, Y; Yoneda, A; Yamazaki, Y

    2002-01-01

    To study the time-dependent mechanical effects of fast heavy ion irradiations, we have irradiated various solids by a short-bunch beam of 95 MeV/u Ar ions and observed elastic waves generated in the bulk. The irradiated targets were square-shaped plates of poly-crystals of metals (Al and Cu), invar alloy, ceramic (Al sub 2 O sub 3), fused silica (SiO sub 2) and single crystals of KC1 and LiF with a thickness of 10 mm. The beam was incident perpendicular to the surface and all ions were stopped in the target. Two piezo-electric ultrasonic sensors were attached to the surface of the target and detected the elastic waves. The elastic waveforms as well as the time structure and intensity of the beam bunch were recorded for each shot of a beam bunch. The sensor placed opposite to the beam spot recorded a clear waveform of the longitudinal wave across the material, except for the invar and fused silica targets. From its propagation time along with the sound velocity and the thickness of the target, the depth of the...

  12. Fast ion dynamics in ASDEX upgrade and TEXTOR measured by collective Thomson scattering

    Energy Technology Data Exchange (ETDEWEB)

    Moseev, D.

    2011-11-15

    Fast ions are an essential ingredient in burning nuclear fusion plasmas: they are responsible for heating the bulk plasma, carry a significant amount of plasma current and moreover interact with various magnetohydrodynamic (MHD) instabilities. The collective Thomson scattering (CTS) diagnostic is sensitive to the projection of fast ion velocity distribution function. This thesis is mainly devoted to investigations of fast ion physics in tokamak plasmas by means of CTS. (Author)

  13. Understanding Molecular Ion-Neutral Atom Collisions for the Production of Ultracold Molecular Ions

    Science.gov (United States)

    2016-06-06

    ions affords many of the benefits of ultracold neutral molecules, while significantly reducing experimental complexity – e.g. large trap depths, long...affords many of the benefits of ultracold neutral molecules, while significantly reducing experimental complexity – e.g. large trap depths, long trap...cooling collisions. As shown in Fig . 2, which plots the results of a photodissociative thermometry measurement, the molecular ions have

  14. Anomalous Flattening of the Fast-Ion Profile during Alfvén-Eigenmode Activity

    Science.gov (United States)

    Heidbrink, W. W.; Gorelenkov, N. N.; Luo, Y.; van Zeeland, M. A.; White, R. B.; Austin, M. E.; Burrell, K. H.; Kramer, G. J.; Makowski, M. A.; McKee, G. R.; Nazikian, R.

    2007-12-01

    Neutral-beam injection into plasmas with negative central shear produces a rich spectrum of toroidicity-induced and reversed-shear Alfvén eigenmodes in the DIII-D tokamak. The first application of fast-ion Dα (FIDA) spectroscopy to Alfvén-eigenmode physics shows that the central fast-ion profile is anomalously flat in the inner half of the discharge. Neutron and equilibrium measurements corroborate the FIDA data. The current density driven by fast ions is also strongly modified. Calculations based on the measured mode amplitudes do not explain the observed fast-ion transport.

  15. Developments of fast emittance monitors for ion sources at RCNP

    Science.gov (United States)

    Yorita, T.; Hatanaka, K.; Fukuda, M.; Shimada, K.; Yasuda, Y.; Saito, T.; Tamura, H.; Kamakura, K.

    2016-02-01

    Recently, several developments of low energy beam transport line and its beam diagnostic systems have been performed to improve the injection efficiency of ion beam to azimuthally varying field cyclotron at Research Center for Nuclear Physics, Osaka University. One of those is the fast emittance monitor which can measure within several seconds for the efficient beam development and a Pepper-Pot Emittance Monitor (PPEM) has been developed. The PPEM consists of pepper-pot mask, multichannel plate, fluorescent screen, mirror, and CCD camera. The CCD image is taken via IEEE1394b to a personal computer and analyzed immediately and frequently, and then real time measurement with about 2 Hz has been achieved.

  16. Developments of fast emittance monitors for ion sources at RCNP

    Energy Technology Data Exchange (ETDEWEB)

    Yorita, T., E-mail: yorita@rcnp.osaka-u.ac.jp; Hatanaka, K.; Fukuda, M.; Shimada, K.; Yasuda, Y.; Saito, T.; Tamura, H.; Kamakura, K. [Research Center for Nuclear Physics (RCNP), Osaka University, Osaka 567-0047 (Japan)

    2016-02-15

    Recently, several developments of low energy beam transport line and its beam diagnostic systems have been performed to improve the injection efficiency of ion beam to azimuthally varying field cyclotron at Research Center for Nuclear Physics, Osaka University. One of those is the fast emittance monitor which can measure within several seconds for the efficient beam development and a Pepper-Pot Emittance Monitor (PPEM) has been developed. The PPEM consists of pepper-pot mask, multichannel plate, fluorescent screen, mirror, and CCD camera. The CCD image is taken via IEEE1394b to a personal computer and analyzed immediately and frequently, and then real time measurement with about 2 Hz has been achieved.

  17. Modelling of advanced three-ion ICRF heating and fast ion generation scheme for tokamaks and stellarators

    Science.gov (United States)

    Faustin, J. M.; Graves, J. P.; Cooper, W. A.; Lanthaler, S.; Villard, L.; Pfefferlé, D.; Geiger, J.; Kazakov, Ye O.; Van Eester, D.

    2017-08-01

    Absorption of ion-cyclotron range of frequencies waves at the fundamental resonance is an efficient source of plasma heating and fast ion generation in tokamaks and stellarators. This heating method is planned to be exploited as a fast ion source in the Wendelstein 7-X stellarator. The work presented here assesses the possibility of using the newly developed three-ion species scheme (Kazakov et al (2015) Nucl. Fusion 55 032001) in tokamak and stellarator plasmas, which could offer the capability of generating more energetic ions than the traditional minority heating scheme with moderate input power. Using the SCENIC code, it is found that fast ions in the MeV range of energy can be produced in JET-like plasmas. The RF-induced particle pinch is seen to strongly impact the fast ion pressure profile in particular. Our results show that in typical high-density W7-X plasmas, the three-ion species scheme generates more energetic ions than the more traditional minority heating scheme, which makes three-ion scenario promising for fast-ion confinement studies in W7-X.

  18. Fast scheme for generating quantum-interference states and G HZ state of N trapped ions

    Institute of Scientific and Technical Information of China (English)

    Zheng Xiao-Juan; Fang Mao-Fa; Liao Xiang-Ping; Cai Jian-Wu; Cao Shuai

    2007-01-01

    We propose a fast scheme to generate the quantum-interference states of N trapped ions. In the scheme the ions are driven by a standing-wave laser beam whose carrier frequency is tuned such that the ion transition can take place.We also propose a simple and fast scheme to produce the GHZ state of N hot trapped ions and this scheme is insensitive to the heating of vibrational motion, which is important from the viewpoint of decoherence.

  19. Modeling ion sensing in molecular electronics

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Caroline J.; Smeu, Manuel, E-mail: manuel.smeu@northwestern.edu; Ratner, Mark A., E-mail: ratner@northwestern.edu [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 (United States)

    2014-02-07

    We examine the ability of molecules to sense ions by measuring the change in molecular conductance in the presence of such charged species. The detection of protons (H{sup +}), alkali metal cations (M{sup +}), calcium ions (Ca{sup 2+}), and hydronium ions (H{sub 3}O{sup +}) is considered. Density functional theory (DFT) is used within the Keldysh non-equilibrium Green's function framework (NEGF) to model electron transport properties of quinolinedithiol (QDT, C{sub 9}H{sub 7}NS{sub 2}), bridging Al electrodes. The geometry of the transport region is relaxed with DFT. The transport properties of the device are modeled with NEGF-DFT to determine if this device can distinguish among the M{sup +} + QDT species containing monovalent cations, where M{sup +} = H{sup +}, Li{sup +}, Na{sup +}, or K{sup +}. Because of the asymmetry of QDT in between the two electrodes, both positive and negative biases are considered. The electron transmission function and conductance properties are simulated for electrode biases in the range from −0.5 V to 0.5 V at increments of 0.1 V. Scattering state analysis is used to determine the molecular orbitals that are the main contributors to the peaks in the transmission function near the Fermi level of the electrodes, and current-voltage relationships are obtained. The results show that QDT can be used as a proton detector by measuring transport through it and can conceivably act as a pH sensor in solutions. In addition, QDT may be able to distinguish among different monovalent species. This work suggests an approach to design modern molecular electronic conductance sensors with high sensitivity and specificity using well-established quantum chemistry.

  20. Trapped ion simulation of molecular spectrum

    Science.gov (United States)

    Shen, Yangchao; Lu, Yao; Zhang, Kuan; Zhang, Shuaining; Huh, Joonsuk; Kim, Kihwan

    2016-05-01

    Boson sampling had been suggested as a classically intractable and quantum mechanically manageable problem via computational complexity theory arguments. Recently, Huh and co-workers proposed theoretically a modified version of boson sampling, which is designed to simulate a molecular problem, as a practical application. Here, we report the experimental implementation of the theoretical proposal with a trapped ion system. As a first demonstration, we perform the quantum simulation of molecular vibronic profile of SO2, which incorporates squeezing, rotation and coherent displacements operations, and the collective projection measurement on phonon modes. This work was supported by the National Basic Research Program of China 11CBA00300, 2011CBA00301, National Natural Science Foundation of China 11374178, 11574002. Basic Science Research Program of Korea NRF-2015R1A6A3A04059773.

  1. Quantitative evaluation of wall heat loads by lost fast ions in the Large Helical Device

    Science.gov (United States)

    Morimoto, Junki; Suzuki, Yasuhiro; Seki, Ryosuke

    2016-10-01

    In fusion plasmas, fast ions are produced by neutral beam injections (NBI), ion cyclotron heating (ICH) and fusion reactions. Some of fast ions are lost from fusion plasmas because of some kinds of drift and instability. These lost fast ions may cause damages on plasma facing components such as divertors and diagnostic instruments in fusion reactors. Therefore, wall heat loads by lost fast ions in the Large Helical Device (LHD) is under investigation. For this purpose, we have been developing the Monte-Carlo code for the quantitative evaluation of wall heat loads based on following the guiding center orbits of fast ions. Using this code, we investigate wall heat loads and hitting points of lost fast ions produced by NBI in LHD. Magnetic field configurations, which depend on beta values, affect orbits of fast ions and wall heat loads. Therefore, the wall heat loads by fast ions in equilibrium magnetic fields including finite beta effect and magnetic islands are quantitatively evaluated. The differences of wall heat loads and particle deposition patterns for cases of the vacuum field and various beta equilibrium fields will be presented at the meeting.

  2. Antenna design for fast ion collective Thomson scattering diagnostic for the international thermonuclear experimental reactor

    DEFF Research Database (Denmark)

    Leipold, Frank; Furtula, Vedran; Salewski, Mirko

    2009-01-01

    Fast ion physics will play an important role for the international thermonuclear experimental reactor (ITER), where confined alpha particles will affect and be affected by plasma dynamics and thereby have impacts on the overall confinement. A fast ion collective Thomson scattering (CTS) diagnostic...

  3. Fast ion collective Thomson scattering - present results and plans for ITER

    DEFF Research Database (Denmark)

    Korsholm, Søren Bang; Bindslev, Henrik; Furtula, Vedran;

    scattering (CTS) provides the possibility of revealing the velocity distribution of the confined fast ions along a given direction – resolved both in time and space. Recently, the ITER baseline design has been expanded to include a fast ion CTS diagnostic. The design of this diagnostic was provided...... and results, and present the expectations for the ITER CTS diagnostic....

  4. High-definition velocity-space tomography of fast-ion dynamics

    DEFF Research Database (Denmark)

    Salewski, Mirko; Geiger, B.; Jacobsen, A.S.

    2016-01-01

    Velocity-space tomography of the fast-ion distribution function in a fusion plasma is usually a photon-starved tomography method due to limited optical access and signal-to-noise ratio of fast-ion Dα (FIDA) spectroscopy as well as the strive for high-resolution images. In high-definition tomograp...

  5. Fast-ion transport and neutral beam current drive in ASDEX upgrade

    DEFF Research Database (Denmark)

    Geiger, B.; Weiland, M.; Jacobsen, Asger Schou

    2015-01-01

    The neutral beam current drive efficiency has been investigated in the ASDEX Upgrade tokamak by replacing on-axis neutral beams with tangential off-axis beams. A clear modification of the radial fast-ion profiles is observed with a fast-ion D-alpha diagnostic that measures centrally peaked profil...

  6. Tomography of fast-ion velocity-space distributions from synthetic CTS and FIDA measurements

    DEFF Research Database (Denmark)

    Salewski, Mirko; Geiger, B.; Nielsen, Stefan Kragh;

    2012-01-01

    We compute tomographies of 2D fast-ion velocity distribution functions from synthetic collective Thomson scattering (CTS) and fast-ion D (FIDA) 1D measurements using a new reconstruction prescription. Contradicting conventional wisdom we demonstrate that one single 1D CTS or FIDA view suffices to...

  7. On velocity space interrogation regions of fast-ion collective Thomson scattering at ITER

    DEFF Research Database (Denmark)

    Salewski, Mirko; Nielsen, Stefan Kragh; Bindslev, Henrik;

    2011-01-01

    The collective Thomson scattering (CTS) diagnostic proposed for ITER is designed to measure projected 1D fast-ion velocity distribution functions at several spatial locations simultaneously. The frequency shift of scattered radiation and the scattering geometry place fast ions that caused the col...

  8. Combination of fast-ion diagnostics in velocity-space tomographies

    DEFF Research Database (Denmark)

    Salewski, Mirko; Geiger, B.; Nielsen, Stefan Kragh

    2013-01-01

    Fast-ion Dα (FIDA) and collective Thomson scattering (CTS) diagnostics provide indirect measurements of fast-ion velocity distribution functions in magnetically confined plasmas. Here we present the first prescription for velocity-space tomographic inversion of CTS and FIDA measurements that can ...

  9. Signatures of fast and slow magnetohydrodynamic shocks in turbulent molecular clouds

    CERN Document Server

    Lehmann, Andrew

    2015-01-01

    The character of star formation is intimately related to the supersonic magnetohydrodynamic (MHD) turbulent dynamics of the giant molecular clouds in which stars form. A significant amount of the turbulent energy dissipates in low-velocity shock waves. These shocks cause molecular line cooling of the compressed and heated gas, and so their radiative signatures probe the nature of the turbulence. In MHD fluids the three distinct families of shocks---fast, intermediate and slow---differ in how they compress and heat the molecular gas, and so observational differences between them may also distinguish driving modes of turbulent regions. Here we use a two-fluid model to compare the characteristics of one-dimensional fast and slow MHD shocks propagating at low speeds (a few km/s) in molecular clouds. Fast MHD shocks are magnetically driven, forcing ion species to stream through the neutral gas ahead of the shock front. This magnetic precursor heats the gas sufficiently to create a large, warm transition zone where...

  10. Investigation of fast ion pressure effects in ASDEX Upgrade by spectral MSE measurements

    Science.gov (United States)

    Reimer, René; Dinklage, Andreas; Wolf, Robert; Dunne, Mike; Geiger, Benedikt; Hobirk, Jörg; Reich, Matthias; ASDEX Upgrade Team; McCarthy, Patrick J.

    2017-04-01

    High precision measurements of fast ion effects on the magnetic equilibrium in the ASDEX Upgrade tokamak have been conducted in a high-power (10 MW) neutral-beam injection discharge. An improved analysis of the spectral motional Stark effect data based on forward-modeling, including the Zeeman effect, fine-structure and non-statistical sub-level distribution, revealed changes in the order of 1% in |B| . The results were found to be consistent with results from the equilibrium solver CLISTE. The measurements allowed us to derive the fast ion pressure fraction to be Δ {{p}\\text{FI}}/{{p}\\text{mhd}}≈ 10 % and variations of the fast ion pressure are consistent with calculations of the transport code TRANSP. The results advance the understanding of fast ion confinement and magneto-hydrodynamic stability in the presence of fast ions.

  11. Signatures of fast and slow magnetohydrodynamic shocks in turbulent molecular clouds

    Science.gov (United States)

    Lehmann, Andrew; Wardle, Mark

    2016-01-01

    The character of star formation is intimately related to the supersonic magnetohydrodynamic (MHD) turbulent dynamics of the molecular clouds in which stars form. A significant amount of the turbulent energy dissipates in low-velocity shocks. Fast and slow MHD shocks differ in how they compress and heat the molecular gas, and so their radiative signatures reveal distinct physical conditions. We use a two-fluid model to compare one-dimensional fast and slow MHD shocks propagating at low speeds (a few km s- 1). Fast shocks are magnetically driven, forcing ion species to stream through the neutral gas ahead of the shock front. This magnetic precursor heats the gas sufficiently to create a large, warm transition zone where all the fluid variables smoothly change in the shock front. In contrast, slow shocks are driven by gas pressure, and neutral species collide with ion species in a thin hot slab that closely resembles an ordinary gas dynamic shock. We consider shocks at velocities vs = 2-4 km s- 1 and pre-shock hydrogen nuclei densities nH = 102-104 cm-3. We include a simple oxygen chemistry and cooling by CO, H2 and H2O. CO rotational lines above J = 6-5 are more strongly excited in slow shocks. These slow-shock signatures may have already been observed in infrared dark clouds in the Milky Way.

  12. Determination of molecular-ion structures through the use of accelerated beams

    Science.gov (United States)

    Gemmell, D. S.

    In this talk we report on recent research on molecular-ion structures using fast molecular-ion beams provided by Argonne's 5-MV Dynamitron accelerator. The method has become known as the Coulomb-explosion technique. When molecular-ion projectiles travelling at velocities of a few percent of the velocity of light strike a foil, the electrons that bind the molecular projectiles are almost always totally stripped off within the first few Angstroms of penetration into the solid target. This leaves a cluster of bare (or nearly bare) nuclei which separate rapidly as a result of their mutual Coulomb repulsion. This violent dissociation process in which the initial electrostatic potential energy is converted into kinetic energy of relative motion in the center-of-mass, was termed a Coulomb explosion.

  13. Fast ion confinement and stability in a neutral beam injected reversed field pinch

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, J. K.; Almagri, A. F.; Den Hartog, D. J.; Eilerman, S.; Forest, C. B.; Koliner, J. J.; Mirnov, V. V.; Morton, L. A.; Nornberg, M. D.; Parke, E.; Reusch, J. A.; Sarff, J. S.; Waksman, J. [University of Wisconsin, Madison, Wisconsin 53706 (United States); Belykh, V.; Davydenko, V. I.; Ivanov, A. A.; Polosatkin, S. V.; Tsidulko, Y. A. [Budker Institute of Nuclear Physics, Novosibirsk (Russian Federation); Lin, L. [University of California, Los Angeles, California 90095 (United States); Liu, D. [University of California, Irvine, California 92697 (United States); and others

    2013-05-15

    The behavior of energetic ions is fundamentally important in the study of fusion plasmas. While well-studied in tokamak, spherical torus, and stellarator plasmas, relatively little is known in reversed field pinch plasmas about the dynamics of fast ions and the effects they cause as a large population. These studies are now underway in the Madison Symmetric Torus with an intense 25 keV, 1 MW hydrogen neutral beam injector (NBI). Measurements of the time-resolved fast ion distribution via a high energy neutral particle analyzer, as well as beam-target neutron flux (when NBI fuel is doped with 3–5% D{sub 2}) both demonstrate that at low concentration the fast ion population is consistent with classical slowing of the fast ions, negligible cross-field transport, and charge exchange as the dominant ion loss mechanism. A significant population of fast ions develops; simulations predict a super-Alfvénic ion density of up to 25% of the electron density with both a significant velocity space gradient and a sharp radial density gradient. There are several effects on the background plasma including enhanced toroidal rotation, electron heating, and an altered current density profile. The abundant fast particles affect the plasma stability. Fast ions at the island of the core-most resonant tearing mode have a stabilizing effect, and up to 60% reduction in the magnetic fluctuation amplitude is observed during NBI. The sharp reduction in amplitude, however, has little effect on the underlying magnetic island structure. Simultaneously, beam driven instabilities are observed as repetitive ∼50 μs bursts which coincide with fast particle redistribution; data indicate a saturated core fast ion density well below purely classical predictions.

  14. The electric quadrupole moment of molecular hydrogen ions and their potential for a molecular ion clock

    CERN Document Server

    Bakalov, Dimitar

    2013-01-01

    The systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the ab-initio description of the interaction of the electric quadrupole moment of this class of molecules with the static electric field gradients present in ion traps. In good approximation, it is described in terms of an effective perturbation hamiltonian. An approximate treatment is then performed in the Born-Oppenheimer approximation. We give an expression of the electric quadrupole coupling parameter valid for all hydrogen molecular ion species and evaluate it for a large number of states of H2+, HD+, and D2+. The systematic shifts can be evaluated as simple expectation values of the perturbation hamiltonian. Results on radio-frequency (M1), one-photon electric dipole (E1) and two-photon E1 transitions between hyperfine states in HD+ are reported. For two-photon E1 transitions b...

  15. Fast-ion Energy Loss During TAE Avalanches in the National Spherical Torus Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Fredrickson, E D; Darrow, D S; Gorelenkov, N N; Kramer, G J; Kubota, S; Podesta, M; White, R B; Bortolon, A; Gerhardt, S P; Bell, R E; Diallo, A; LeBlanc, B; Levinton, F M

    2012-07-11

    Strong TAE avalanches on NSTX, the National Spherical Torus Experiment [M. Ono, et al., Nucl. Fusion 40 (2000) 557] are typically correlated with drops in the neutron rate in the range of 5% - 15%. In previous studies of avalanches in L-mode plasmas, these neutron drops were found to be consistent with modeled losses of fast ions. Here we expand the study to TAE avalanches in NSTX H-mode plasmas with improved analysis techniques. At the measured TAE mode amplitudes, simulations with the ORBIT code predict that fast ion losses are negligible. However, the simulations predict that the TAE scatter the fast ions in energy, resulting in a small (≈ 6%) drop in fast ion β. The net decrease in energy of the fast ions is sufficient to account for the bulk of the drop in neutron rate, even in the absence of fast ion losses. This loss of energy from the fast ion population is comparable to the estimated energy lost by damping from the Alfven wave during the burst. The previously studied TAE avalanches in L-mode are re-evaluated using an improved calculation of the potential fluctuations in the ORBIT code.

  16. Improved Collective Thomson Scattering measurements of fast ions at ASDEX Upgrade

    DEFF Research Database (Denmark)

    Rasmussen, Jesper; Nielsen, Stefan Kragh; Stejner Pedersen, Morten;

    2014-01-01

    Scattering (CTS) is well suited for reactor conditions and offers such an opportunity by providing measurements of the confined fast-ion distribution function resolved in space, time and 1D velocity space. We currently operate a CTS system at ASDEX Upgrade using a gyrotron which generates probing radiation......Understanding the behaviour of the confined fast ions is important in both current and future fusion experiments. These ions play a key role in heating the plasma and will be crucial for achieving conditions for burning plasma in next-step fusion devices. Microwave-based Collective Thomson...... at 105 GHz. A new setup using two independent receiver systems has enabled improved subtraction of the background signal, and hence the first accurate characterization of fast-ion properties. Here we review this new dual-receiver CTS setup and present results on fast-ion measurements based...

  17. Microwave receivers for fast-ion detection in fusion plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Furtula, V.

    2012-02-15

    The main objectives of this thesis are to determine fundamental properties of a millimeter wave radiometer used to detect radiation associated with dynamics of fast ions and to investigate possibilities for improvements and new designs. The detection of fast ions is based on a principle called collective Thomson scattering (CTS). The Danish CTS group has been involved in fusion plasma experiments for more than 10 years and the future plans will most probably include the International Thermonuclear Experimental Reactor (ITER). Current CTS systems designed by the Danish group are specified for the frequency range from 100 to 110 GHz. In this thesis we follow the path of the radiation from a fusion plasma to the data acquisition unit. Firstly, the scattered radiation passes through the quasi-optical system. Quasi-optical elements required to be installed on the high field side (HFS) on the ITER are assessed. For the ITER HFS receiver we have designed and measured the quasi-optical components that form a transmission link between the plasma and the radio frequency (RF) electronics. This HFS receiver is required to resolve the near parallel velocity components created by the alpha particles. Secondly, the radiation will encounter the RF part. This part is not yet designed for ITER, but instead the solution is addressed to the CTS receiver installed at ASDEX Upgrade (AUG).We have put effort to thoroughly examine and evaluate the performance of the receiver components and the receiver as an assembled unit. We have measured and analyzed all the receiver components starting from the two notch filters to the fifty square-law detector diodes. The receiver sensitivity is calculated from the system measurements and compared with the expected sensitivity based on the individual component measurements. Besides the system considerations we have also studied improvements of two critical components of the receiver. The first component is the notch filter, which is needed to block

  18. Microwave quantum logic spectroscopy and control of molecular ions

    DEFF Research Database (Denmark)

    Shi, M.; F. Herskind, P.; Drewsen, M.;

    2013-01-01

    A general method for rotational microwave spectroscopy and control of polar molecular ions via direct microwave addressing is considered. Our method makes use of spatially varying AC Stark shifts, induced by far off-resonant, focused laser beams to achieve an effective coupling between the rotati......A general method for rotational microwave spectroscopy and control of polar molecular ions via direct microwave addressing is considered. Our method makes use of spatially varying AC Stark shifts, induced by far off-resonant, focused laser beams to achieve an effective coupling between...... the rotational state of a molecular ion and the electronic state of an atomic ion. In this setting, the atomic ion is used for read-out of the molecular ion state, in a manner analogous to quantum logic spectroscopy based on Raman transitions. In addition to high-precision spectroscopy, this setting allows...

  19. Consistency between real and synthetic fast-ion measurements at ASDEX Upgrade

    DEFF Research Database (Denmark)

    Rasmussen, Jesper; Nielsen, Stefan Kragh; Pedersen, Morten Stejner

    2015-01-01

    by comparing fast-ion measurements from collective Thomson scattering, fast-ion spectroscopy, and neutron rate detectors with numerical predictions from the TRANSP/NUBEAM transport code. We also study the sensitivity of the theoretical predictions to uncertainties in the plasma kinetic profiles. We find...... that theory and measurements generally agree within these uncertainties for all three diagnostics during heating phases with either one or two neutral beam injection sources. This suggests that the measurements can be described by the same model assuming classical slowing down of fast ions. Since the three...

  20. Fast-ion transport in the presence of magnetic reconnection induced by sawtooth oscillations in ASDEX Upgrade

    NARCIS (Netherlands)

    Geiger, B.; Garcia-Munoz, M.; Dux, R.; Ryter, F.; Tardini, G.; Orte, L. B.; Classen, I.G.J.; Fable, E.; Fischer, R.; Igochine, V.; McDermott, R. M.

    2014-01-01

    The transport of beam-generated fast ions has been investigated experimentally at the ASDEX Upgrade tokamak in the presence of sawtooth crashes. After sawtooth crashes, phase space resolved fast-ion D-alpha measurements show a significant reduction of the central fast-ion density-more than 50%-toget

  1. Parametric Dependence Of Fast-ion Transport Events On The National Spherical Torus Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Fredrickson, Erik; Gorelenkov, N. N.; Podesta, M.; Gerhardt, S. P.; Bell, R. E.; Diallo, A.; LeBlanc, B. [Princeton Plasma Physics Lab., NJ (United States); Bortolon, A. [Univ. of Tennessee, Knoxville, TN (United States)

    2014-03-31

    Neutral-beam heated tokamak plasmas commonly have more than one third of the plasma kinetic energy in the non-thermal energetic beam ion population. This population of fast ions heats the plasma, provides some of the current drive, and can affect the stability (positively or negatively) of magnetohydrodynamic instabilities. This population of energetic ions is not in thermodynamic equilibrium, thus there is free-energy available to drive instabilities, which may lead to redistribution of the fast ion population. Understanding under what conditions beam-driven instabilities arise, and the extent of the resulting perturbation to the fast ion population, is important for predicting and eventually demonstrating non-inductive current ramp-up and sustainment in NSTX-U, as well as the performance of future fusion plasma experiments such as ITER. This paper presents an empirical approach towards characterizing the stability boundaries for some common energetic-ion-driven instabilities seen on NSTX.

  2. Isomeric signatures in the fragmentation of pyridazine and pyrimidine induced by fast ion impact

    Energy Technology Data Exchange (ETDEWEB)

    Wolff, Wania, E-mail: wania@if.ufrj.br; Luna, Hugo; Montenegro, Eduardo C. [Instituto de Física, Universidade Federal do Rio de Janeiro, 21941-972 Rio de Janeiro, RJ (Brazil)

    2015-07-28

    We present fast proton impact induced fragmentations of pyrimidine and pyridazine as an experimental resource to investigate isomeric signatures. Major isomeric imprints are identified for few fragment ions and differences of more than an order of magnitude for the cross sections of fragments of the same mass were measured. The observation of the molecular structure of these isomers gives no apparent indication for the reasons for such substantial differences. It is verified that the simple displacement of the position of one nitrogen atom strongly inhibits or favors the production of some ionic fragment species. The dependency of the fragmentation cross sections on the proton impact energy, investigated by means of time of flight mass spectroscopy and of a model calculation based in first order perturbation theory, allows us to disentangle the complex collision dynamics of the ionic fragments. The proton-induced fragmentation discriminates rather directly the association between a molecular orbital ionization and the fragment-ions creation and abundance, as well as how the redistribution of the energy imparted to the molecules takes place, triggering not only single but also double vacancy and leads to specific fragmentation pathways.

  3. Influence of Alfven eigenmodes and ion cyclotron heating on the fast-ion distribution in the ASDEX Upgrade tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Weiland, Markus; Geiger, Benedikt; Bilato, Roberto; Schneider, Philip; Tardini, Giovanni; Lauber, Philipp; Ryter, Francois; Schneller, Mirjam [Max-Planck-Institut fuer Plasmaphysik, Garching (Germany); Collaboration: ASDEX Upgrade Team

    2015-05-01

    Fast, supra-thermal ions are created in the tokamak ASDEX Upgrade by neutral beam injection and ion cyclotron resonance heating (ICRH) and they are needed for plasma heating and current drive. A possibility to study them is the spectroscopic observation of line radiation (fast-ion D-alpha, FIDA), which emerges from charge exchange reactions. Here, the fast ions can be distinguished from the thermal particles through there strong Doppler-shift, and their radial density profile can be measured and compared to theoretical models. An analysis of the whole Doppler spectrum yields information about the 2D velocity distribution f(v {sub parallel}, v {sub perpendicular} {sub to}). Observation from different viewing angles allows consequently a tomographic reconstruction of f(v {sub parallel}, v {sub perpendicular} {sub to}). For this purpose, the FIDA diagnostic at ASDEX Upgrade has been extended from two to five views, and the spectrometer setup was improved to allow a simultaneous measurement of blue and red Doppler shifts. These recently developed diagnostic capabilities are used to study changes in the fast-ion distribution, which are caused by Alfven eigenmodes. Moreover, the further acceleration of fast ions through 2{sup nd} harmonic ICRH is investigated and compared to theoretical predictions.

  4. Molecular and negative ion production by a standard electron cyclotron resonance ion source.

    Science.gov (United States)

    Rácz, R; Biri, S; Juhász, Z; Sulik, B; Pálinkás, J

    2012-02-01

    Molecular and negative ion beams, usually produced in special ion sources, play an increasingly important role in fundamental and applied atomic physics. The ATOMKI-ECRIS is a standard ECR ion source, designed to provide highly charged ion (HCI) plasmas and beams. In the present work, H(-), O(-), OH(-), O(2)(-), C(-), C(60)(-) negative ions and H(2)(+), H(3)(+), OH(+), H(2)O(+), H(3)O(+), O(2)(+) positive molecular ions were generated in this HCI-ECRIS. Without any major modification in the source and without any commonly applied tricks (such as usage of cesium or magnetic filter), negative ion beams of several μA and positive molecular ion beams in the mA range were successfully obtained.

  5. Fast ion generation and runaway through magnetic reconnection events in MST

    Science.gov (United States)

    Kim, Jungha; Anderson, Jay; Capecchi, William; Bonofiglo, Phillip; Sears, Stephanie

    2016-10-01

    Fokker-Planck and full orbit modeling are used to investigate how global reconnection events in MST plasmas generate an anisotropic fast ion distribution. A multi-step process is hypothesized. First, thermal ions are heated by a perpendicular heating mechanism, possibly a stochastic process that relies on turbulent diffusion and strong radial electric fields, or ion cyclotron damping in the tearing-driven turbulent cascade. Second, a small fraction of the heated ions have sufficient speed to develop substantial guiding center drifts that are relatively immune to stochastic magnetic transport. In the RFP, these fast ion drift orbits are favorable to confinement. Finally, these fast ions are accelerated by a parallel inductive electric field (up to 80 V/m) associated with the abruptly changing magnetic equilibrium. This strong impulsive field does not include any magnetic-fluctuation-based contribution as experienced by thermal particles or electrons, which do not run away like fast ions. CQL3D, a Fokker-Planck solver, and RIO, a full orbit tracing code, are used to model this multi-step process that is responsible for anisotropy in fast ion distribution in MST. Work supported by US DOE. Supported by US DOE.

  6. Fast Ion Dynamics in ASDEX Upgrade and TEXTOR Measured by Collective Thomson Scattering

    DEFF Research Database (Denmark)

    Moseev, Dmitry

    Fast ions are an essential ingredient in burning nuclear fusion plasmas: they are responsible for heating the bulk plasma, carry a significant amount of plasma current and moreover interact with various magnetohydrodynamic (MHD) instabilities. The collective Thomson scattering (CTS) diagnostic...

  7. Production and sympathetic cooling of complex molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chaobo

    2008-06-24

    This thesis reports on experimental and theoretical studies of the sympathetic cooling of complex molecular ions demonstrating that this general method for cooling atomic and molecular ions is reliable and efficient. For this purpose, complex molecular ions and barium ions have been confined simultaneously in a linear Paul trap. The complex molecular ions are generated in an electrospray ionization system and transferred to the trap via a 2 m long octopole ion guide. These molecular ions are pre-cooled by room temperature helium buffer gas so that they can be captured by the trap. The atomic barium ions are loaded from a barium evaporator oven and are laser-cooled by a 493 nm cooling laser and a 650 nm repumping laser. Due to the mutual Coulomb interaction among these charged particles, the kinetic energy of the complex molecular ions can be reduced significantly. In our experiments we have demonstrated the sympathetic cooling of various molecules (CO{sub 2}, Alexa Fluor 350, glycyrrhetinic acid, cytochrome c) covering a wide mass range from a few tens to 13000 amu. In every case the molecular ions could be cooled down to millikelvin temperatures. Photo-chemical reactions of the {sup 138}Ba{sup +} ions in the ({sup 2}P{sub 1/2}) excited state with gases such as O{sub 2}, CO{sub 2}, or N{sub 2}O, could be observed. If the initial {sup 138}Ba{sup +} ion ensemble is cold, the produced {sup 138}BaO{sup +} ions are cold as well, with a similar temperature as the laser-cooled barium ions (a few tens of millikelvin). The back-reaction of {sup 138}BaO{sup +} ions with neutral CO to {sup 138}Ba{sup +} is possible and was observed in our experiments as well. A powerful molecular dynamics (MD) simulation program has been developed. With this program dynamic properties of ion ensembles, such as sympathetic interactions or heating effects, have been investigated and experimental results have been analyzed to obtain, for example, ion numbers and temperatures. Additionally, the

  8. The electric quadrupole moment of molecular hydrogen ions and their potential for a molecular ion clock

    Science.gov (United States)

    Bakalov, D.; Schiller, S.

    2014-01-01

    The systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the ab initio description of the interaction of the electric quadrupole moment of this class of molecules with the static electric field gradients present in ion traps. In good approximation, it is described in terms of an effective perturbation Hamiltonian. An approximate treatment is then performed in the Born-Oppenheimer approximation. We give an expression of the electric quadrupole coupling parameter valid for all hydrogen molecular ion species and evaluate it for a large number of states of H{2/+}, HD+, and D{2/+}. The systematic shifts can be evaluated as simple expectation values of the perturbation Hamiltonian. Results on radio-frequency, one-photon electric dipole (E1), and two-photon E1 transitions between hyperfine states in HD+ are reported. For two-photon E1 transitions between rotationless states, the shifts vanish. For a large subset of rovibrational one-photon transitions, the absolute values of the quadrupole shifts range from 0.3 to 10 Hz for an electric field gradient of 108 V/m2. We point out an experimental procedure for determining the quadrupole shift which will allow reducing its contribution to the uncertainty of unperturbed rovibrational transition frequencies to the 1 × 10-15 fractional level and, for selected transitions, even below it. The combined contributions of black-body radiation, Zeeman, Stark and quadrupole effects are considered for a large set of transitions, and it is estimated that the total transition frequency uncertainty of selected transitions can be reduced below the 1 × 10-15 level.

  9. Benchmark of MEGA Code on Fast Ion Pressure Profile in the Large Helical Device

    Science.gov (United States)

    Seki, Ryosuke; Todo, Yasushi; Suzuki, Yasuhiro; Osakabe, Masaki

    2016-10-01

    As the first step for the analyses of energetic particle driven instabilities in the Large Helical Device (LHD) including the collisions of fast ions and the neutral beam injection, MEGA code is benchmarked on the classical fast ion pressure profile using the temperature and density profiles measured in the LHD experiments. In this benchmark, the MHD equilibrium is calculated with HINT code, and the beam deposition profile is calculated with HFREYA code. Since the equilibrium is not axisymmetric in LHD, the accuracy of orbit tracing is important for fast ion analyses. In the slowing down process of the MEGA code, the guiding center equation is numerically solved using the 4th order Runge-Kutta method and the linear interpolation. MEGA code is benchmarked against the results of MORH code, in which the 6th order Runge-Kutta and the 4th order spline interpolation are used. In LHD, the position of the loss boundary of fast ion is important because there are many ``re-entering fast ions'' which re-enter in plasma after they have once passed out of plasma. The effects of the position of the loss boundary on the fast ion pressure profile will be discussed, and a preliminary result of Alfven eigenmodes will be presented.

  10. Magnetic Configuration Effects on Fast Ion Losses Induced by Fast Ion Driven Toroidal Alfv~n Eigenmodes in the Large Helical Device

    Institute of Scientific and Technical Information of China (English)

    K. OGAWA; M. ISOBE; K. TOI; F. WATANABE; D. A. SPONG; A. SHIMIZU; M. OSAKABE; D. S. DARROW; S. OHDACHI; S. SAKAKIBARA; LHD Experiment -Group

    2012-01-01

    Beam-ion losses induced by fast-ion-driven toroidal Alfven eigenmodes (TAE) were measured with a scintillator-based lost fast-ion probe (SLIP) in the large helical device (LHD). The SLIP gave simultaneously the energy E and the pitch angle X=arccos(v///v) distribution of the lost fast ions. The loss fluxes were investigated for three typical magnetic configurations of Rax-vac=3.60 m, 3.75 m. and 3.90 m, where Rax-vac is the magnetic axis position of the vacuum field. Dominant losses induced by TAEs in these three configurations were observed in the E/X regions of 50-190 keV/40°, 40-170 keV/25°, and 30-190 keV/30°, respectively. Lost-ion fluxes induced by TAEs depend clearly on the amplitude of TAE magnetic fluctuations, Rax-vac and the toroidal field strength Bt. The increment of the loss fluxes has the dependence of (bTAE/Bt)s. The power s increases from s = 1 to 3 with the increase of the magnetic axis position in finite beta plasmas.

  11. Fast-ion dynamics in the TEXTOR tokamak measured by collective Thomson scattering

    DEFF Research Database (Denmark)

    Bindslev, H.; Nielsen, S.K.; Porte, L.;

    2006-01-01

    Here we present the first measurements by collective Thomson scattering of the evolution of fast-ion populations in a magnetically confined fusion plasma. 150 kW and 110 Ghz radiation from a gyrotron were scattered in the TEXTOR tokamak plasma with energetic ions generated by neutral beam injecti...

  12. Calculation of the ionization differential effective cross sections in fast ion-atom collisions

    CERN Document Server

    Kaminskij, A K

    2002-01-01

    The method of the calculations of the ionization effective cross sections d sigma/d OMEGA differential in the incident ion scattering angle is described in fast collisions of light ions and atoms. The calculated values of angular distributions of the ions Al, Mg (for the different values of charge and energy of ions) after their collisions with the Ne, Mg atoms being ionized are reported. The dependence of such angular distributions on the incident ion charge and energy and the initial state of ejected electron is investigated

  13. Fast multislice fluorescence molecular tomography using sparsity-inducing regularization.

    Science.gov (United States)

    Hejazi, Sedigheh Marjaneh; Sarkar, Saeed; Darezereshki, Ziba

    2016-02-01

    Fluorescence molecular tomography (FMT) is a rapidly growing imaging method that facilitates the recovery of small fluorescent targets within biological tissue. The major challenge facing the FMT reconstruction method is the ill-posed nature of the inverse problem. In order to overcome this problem, the acquisition of large FMT datasets and the utilization of a fast FMT reconstruction algorithm with sparsity regularization have been suggested recently. Therefore, the use of a joint L1/total-variation (TV) regularization as a means of solving the ill-posed FMT inverse problem is proposed. A comparative quantified analysis of regularization methods based on L1-norm and TV are performed using simulated datasets, and the results show that the fast composite splitting algorithm regularization method can ensure the accuracy and robustness of the FMT reconstruction. The feasibility of the proposed method is evaluated in an in vivo scenario for the subcutaneous implantation of a fluorescent-dye-filled capillary tube in a mouse, and also using hybrid FMT and x-ray computed tomography data. The results show that the proposed regularization overcomes the difficulties created by the ill-posed inverse problem.

  14. Fast multislice fluorescence molecular tomography using sparsity-inducing regularization

    Science.gov (United States)

    Hejazi, Sedigheh Marjaneh; Sarkar, Saeed; Darezereshki, Ziba

    2016-02-01

    Fluorescence molecular tomography (FMT) is a rapidly growing imaging method that facilitates the recovery of small fluorescent targets within biological tissue. The major challenge facing the FMT reconstruction method is the ill-posed nature of the inverse problem. In order to overcome this problem, the acquisition of large FMT datasets and the utilization of a fast FMT reconstruction algorithm with sparsity regularization have been suggested recently. Therefore, the use of a joint L1/total-variation (TV) regularization as a means of solving the ill-posed FMT inverse problem is proposed. A comparative quantified analysis of regularization methods based on L1-norm and TV are performed using simulated datasets, and the results show that the fast composite splitting algorithm regularization method can ensure the accuracy and robustness of the FMT reconstruction. The feasibility of the proposed method is evaluated in an in vivo scenario for the subcutaneous implantation of a fluorescent-dye-filled capillary tube in a mouse, and also using hybrid FMT and x-ray computed tomography data. The results show that the proposed regularization overcomes the difficulties created by the ill-posed inverse problem.

  15. Dissociation of fast ions analyzed by time-of-flight

    Energy Technology Data Exchange (ETDEWEB)

    Ponciano, C.R.; Ladeia, R.C.C.; Collado, V.M.; Silveira, E.F. da [Pontificia Univ. Catolica do Rio de Janeiro, RJ (Brazil). Dept. de Fisica]. E-mail: enio@vdg.fis.puc-rio.br

    2001-09-01

    The fragmentation of metastable ions, having keV of kinetic energy, is analyzed by time-of-flight technique. Assuming isotropic distribution of fragments in a free field region, it is deduced an analytical expression to describe the corresponding peak shapes in linear TOF spectrometers. Metastable ion mean-life and the kinetic energy release (Q-value) are the quantities extracted from data fitting. As an illustration, the dissociation of C{sub 8} H{sub 10} N{sup +} metastable ions, desorbed by {sup 252} Cf fission fragment impact on organic target, is studied. (author)

  16. Calibration techniques for fast-ion D{sub {alpha}} diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Heidbrink, W. W.; Bortolon, A.; Muscatello, C. M.; Ruskov, E. [University of California, Irvine, California 92697 (United States); Grierson, B. A.; Podesta, M. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States)

    2012-10-15

    Fast-ion D{sub {alpha}} measurements are an application of visible charge-exchange recombination (CER) spectroscopy that provide information about the energetic ion population. Like other CER diagnostics, the standard intensity calibration is obtained with an integrating sphere during a vacuum vessel opening. An alternative approach is to create plasmas where the fast-ion population is known, then calculate the expected signals with a synthetic diagnostic code. The two methods sometimes agree well but are discrepant in other cases. Different background subtraction techniques and simultaneous measurements of visible bremsstrahlung and of beam emission provide useful checks on the calibrations and calculations.

  17. Development towards a fast ion loss detector for the reversed field pinch

    Science.gov (United States)

    Bonofiglo, P. J.; Anderson, J. K.; Almagri, A. F.; Kim, J.; Clark, J.; Capecchi, W.; Sears, S. H.; Egedal, J.

    2016-11-01

    A fast ion loss detector has been constructed and implemented on the Madison Symmetric Torus (MST) to investigate energetic ion losses and transport due to energetic particle and MHD instabilities. The detector discriminates particle orbits solely on pitch and consists of two thin-foil, particle collecting plates that are symmetric with respect to the device aperture. One plate collects fast ion signal, while the second aids in the minimization of background and noise effects. Initial measurements are reported along with suggestions for the next design phase of the detector.

  18. Improved Collective Thomson Scattering measurements of fast ions at ASDEX upgrade

    Energy Technology Data Exchange (ETDEWEB)

    Rasmussen, J.; Nielsen, S. K.; Stejner, M.; Salewski, M.; Jacobsen, A. S.; Korsholm, S. B.; Leipold, F.; Meo, F.; Michelsen, P. K. [Association Euratom-DTU, Technical University of Denmark, Department of Physics, DTU Riso/ Campus, DK-4000 Roskilde (Denmark); Moseev, D. [Association Euratom-FOM Institute DIFFER, 3430 BE Nieuwegein (Netherlands); Schubert, M.; Stober, J.; Tardini, G.; Wagner, D.; Collaboration: ASDEX Upgrade Team

    2014-08-21

    Understanding the behaviour of the confined fast ions is important in both current and future fusion experiments. These ions play a key role in heating the plasma and will be crucial for achieving conditions for burning plasma in next-step fusion devices. Microwave-based Collective Thomson Scattering (CTS) is well suited for reactor conditions and offers such an opportunity by providing measurements of the confined fast-ion distribution function resolved in space, time and 1D velocity space. We currently operate a CTS system at ASDEX Upgrade using a gyrotron which generates probing radiation at 105 GHz. A new setup using two independent receiver systems has enabled improved subtraction of the background signal, and hence the first accurate characterization of fast-ion properties. Here we review this new dual-receiver CTS setup and present results on fast-ion measurements based on the improved background characterization. These results have been obtained both with and without NBI heating, and with the measurement volume located close to the centre of the plasma. The measurements agree quantitatively with predictions of numerical simulations. Hence, CTS studies of fast-ion dynamics at ASDEX Upgrade are now feasible. The new background subtraction technique could be important for the design of CTS systems in other fusion experiments.

  19. Global anomalous transport of ICRH- and NBI-heated fast ions

    Science.gov (United States)

    Wilkie, G. J.; Pusztai, I.; Abel, I.; Dorland, W.; Fülöp, T.

    2017-04-01

    By taking advantage of the trace approximation, one can gain an enormous computational advantage when solving for the global turbulent transport of impurities. In particular, this makes feasible the study of non-Maxwellian transport coupled in radius and energy, allowing collisions and transport to be accounted for on similar time scales, as occurs for fast ions. In this work, we study the fully-nonlinear ITG-driven trace turbulent transport of locally heated and injected fast ions. Previous results indicated the existence of MeV-range minorities heated by cyclotron resonance, and an associated density pinch effect. Here, we build upon this result using the t3core code to solve for the distribution of these minorities, consistently including the effects of collisions, gyrokinetic turbulence, and heating. Using the same tool to study the transport of injected fast ions, we contrast the qualitative features of their transport with that of the heated minorities. Our results indicate that heated minorities are more strongly affected by microturbulence than injected fast ions. The physical interpretation of this difference provides a possible explanation for the observed synergy when neutral beam injection (NBI) heating is combined with ion cyclotron resonance heating (ICRH). Furthermore, we move beyond the trace approximation to develop a model which allows one to easily account for the reduction of anomalous transport due to the presence of fast ions in electrostatic turbulence.

  20. Generation of fast highly charged ions in laser-plasma interaction

    Energy Technology Data Exchange (ETDEWEB)

    Wolowski, J [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Badziak, J [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Boody, F P [Ion Light Technologies GmbH, Bad Abbach (Germany); Czarnecka, A [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Gammino, S [INFN-Laboratori Nazionali del Sud, Catania (Italy); Jablonski, S [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Krasa, J [Institute of Physics, ASCR (Czech Republic); Laska, L [Institute of Physics, ASCR (Czech Republic); Parys, P [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Rohlena, K [Institute of Physics, ASCR (Czech Republic); Rosinski, M [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Ryc, L [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Torrisi, L [INFN-Laboratori Nazionali del Sud, Catania (Italy); Ullschmied, J [IPALS Research Centre ASCR, Prague (Czech Republic)

    2006-12-15

    The nonthermal and nonlinear coupling of strong laser light wave with plasma transfers a part of laser energy into hot electrons and fast ions. The efficiency of these effects depends on the characteristics of a laser pulse, target properties and irradiation geometry. The reported studies were performed with the use of a high-power and high-energy iodine PALS laser system (energy up to 1 kJ in a 0.4 ns pulse at wavelength of 1315 nm and energy up to 250 J at wavelength of 438 nm). The properties of the laser-produced ion streams were determined with the use of ion diagnostics based on the time-of-flight method. The characteristics of x-rays were measured using various semiconductor detectors. The main ion stream characteristics as well as the ion acceleration processes in plasmas of different Z numbers were studied in dependence on laser pulse parameters. The parameters of a fast ion group depend evidently on Z number of the ions. The influence of the electron density scale length on fast ion generation was investigated using a low intensity laser pre-pulses to generate preformed plasmas (pre-plasmas) with which the main laser pulse interacted. The obtained results suggest that ion acceleration processes were most effective at a specific electron density gradient scale length of pre-plasma determined by the pre-pulse parameters.

  1. Energetic-particle-driven instabilities and induced fast-ion transport in a reversed field pinch

    Science.gov (United States)

    Lin, Liang

    2013-10-01

    Multiple bursty energetic-particle (EP) modes with fishbone-like structures are observed during 1 MW tangential neutral-beam injection into MST reversed field pinch (RFP) plasmas. The distinguishing features of the RFP, including large magnetic shear (tending to add stability) and weak toroidal magnetic field (leading to large fast ion beta and stronger drive), provide a complementary environment to tokamak and stellarator configurations for exploring basic understanding of these instabilities. Detailed measurements of the EP mode characteristics and temporal-spatial dynamics reveal their influence on fast ion transport and interaction with global tearing modes. Internal magnetic field fluctuations associated with the EP modes are directly observed for the first time by Faraday-effect polarimetry (frequency ~ 90 kHz and amplitude ~ 2 G). Simultaneously measured density fluctuations exhibit a dynamically evolving and asymmetric spatial structure that peaks near the core where fast ions reside and shifts outward as the instability evolves. Furthermore, the EP mode frequencies appear at ~k∥VA , consistent with continuum modes destabilized by strong drive. The fast-ion temporal dynamics, measured by a neutral particle analyzer, resemble a classical predator-prey relaxation oscillation. It contains a slow-growing phase arising from the beam fueling followed by a rapid drop (~ 15 %) when the EP modes peak, indicating the fluctuation-induced transport maintains a stiff fast-ion density profile. The inferred transport rate is strongly enhanced (× 2) with the onset of multiple nonlinearly-interacting EP modes. The fast ions also impact global tearing modes, reducing their amplitudes by up to 65%. This mode reduction is lessened following the EP-bursts, further evidence for fast ion redistribution that weakens the suppression mechanism. Possible tearing mode suppression mechanisms will be discussed. Work supported by US DoE.

  2. Rotational Laser Cooling of Vibrationally and Translationally Cold Molecular Ions

    DEFF Research Database (Denmark)

    Drewsen, Michael

    2011-01-01

    [7,8,9]. Furthermore, in order to learn more about the chemistry in interstellar clouds, astrochemists can benefit greatly from direct measurements on cold reactions in laboratories [9]. Working with MgH+ molecular ions in a linear Paul trap, we routinely cool their translational degree of freedom...... of a new technique for laser-induced rotational ground-state cooling of vibrationally and translationally cold MgH+ ions [10]. The scheme is based on excitation of a single rovibrational transition [11], and it should be generalizable to any diatomic polar molecular ion, given appropriate mid...

  3. Nonlinear phenomenon in nanostructures creation by fast cluster ions

    Science.gov (United States)

    Moslem, W. M.; El-Said, A. S.; Sabry, R.; Shalouf, A.; El-Labany, S. K.; Bahlouli, H.

    2017-01-01

    The development of accelerators technology offers a new window for the creation of surface nanostructures in an efficient and accurate way. The use of 30 MeV C60 cluster ions enables the creation of nano-hillocks of size larger than the ones produced by GeV monoatomic ions. The physical mechanism underlying the realization of such nanostructures is elucidated using a plasma expansion approach. Numerical analysis showed that increasing the ionic temperature (number density) ratios would lead to decrease (increase) the nano-hillocks height.

  4. Nonlinear stabilization of tokamak microturbulence by fast ions

    CERN Document Server

    Citrin, J; Garcia, J; Haverkort, J W; Hogeweij, G M D; Jenko, F; Johnson, T; Mantica, P; Pueschel, M J; Told, D; contributors, JET-EFDA

    2013-01-01

    Nonlinear electromagnetic stabilization by suprathermal pressure gradients found in specific regimes is shown to be a key factor in reducing tokamak microturbulence, augmenting significantly the thermal pressure electromagnetic stabilization. Based on nonlinear gyrokinetic simulations investigating a set of ion heat transport experiments on the JET tokamak, described by Mantica et al. [Phys. Rev. Lett. 107 135004 (2011)], this result explains the experimentally observed ion heat flux and stiffness reduction. These findings are expected to improve the extrapolation of advanced tokamak scenarios to reactor relevant regimes.

  5. Action-angle formulation of generalized, orbit-based, fast-ion diagnostic weight functions

    Science.gov (United States)

    Stagner, L.; Heidbrink, W. W.

    2017-09-01

    Due to the usually complicated and anisotropic nature of the fast-ion distribution function, diagnostic velocity-space weight functions, which indicate the sensitivity of a diagnostic to different fast-ion velocities, are used to facilitate the analysis of experimental data. Additionally, when velocity-space weight functions are discretized, a linear equation relating the fast-ion density and the expected diagnostic signal is formed. In a technique known as velocity-space tomography, many measurements can be combined to create an ill-conditioned system of linear equations that can be solved using various computational methods. However, when velocity-space weight functions (which by definition ignore spatial dependencies) are used, velocity-space tomography is restricted, both by the accuracy of its forward model and also by the availability of spatially overlapping diagnostic measurements. In this work, we extend velocity-space weight functions to a full 6D generalized coordinate system and then show how to reduce them to a 3D orbit-space without loss of generality using an action-angle formulation. Furthermore, we show how diagnostic orbit-weight functions can be used to infer the full fast-ion distribution function, i.e., orbit tomography. In depth derivations of orbit weight functions for the neutron, neutral particle analyzer, and fast-ion D-α diagnostics are also shown.

  6. Fast ion mass spectrometry and charged particle spectrography investigations of transverse ion acceleration and beam-plasma interactions

    Science.gov (United States)

    Gibson, W. C.; Tomlinson, W. M.; Marshall, J. A.

    1987-01-01

    Ion acceleration transverse to the magnetic field in the topside ionosphere was investigated. Transverse acceleration is believed to be responsible for the upward-moving conical ion distributions commonly observed along auroral field lines at altitudes from several hundred to several thousand kilometers. Of primary concern in this investigation is the extent of these conic events in space and time. Theoretical predictions indicate very rapid initial heating rates, depending on the ion species. These same theories predict that the events will occur within a narrow vertical region of only a few hundred kilometers. Thus an instrument with very high spatial and temporal resolution was required; further, since different heating rates were predicted for different ions, it was necessary to obtain composition as well as velocity space distributions. The fast ion mass spectrometer (FIMS) was designed to meet these criteria. This instrument and its operation is discussed.

  7. The description of charge transfer in fast negative ions scattering on water covered Si(100) surfaces

    Science.gov (United States)

    Chen, Lin; Qiu, Shunli; Liu, Pinyang; Xiong, Feifei; Lu, Jianjie; Liu, Yuefeng; Li, Guopeng; Liu, Yiran; Ren, Fei; Xiao, Yunqing; Gao, Lei; Zhao, Qiushuang; Ding, Bin; Li, Yuan; Guo, Yanling; Chen, Ximeng

    2016-11-01

    Doping has significantly affected the characteristics and performance of semiconductor electronic devices. In this work, we study the charge transfer processes for 8.5-22.5 keV C- and F- ions scattering on H2O-terminated p-type Si(100) surfaces with two different doping concentrations. We find that doping has no influence on negative-ion formation for fast collisions in this relatively high energy range. Moreover, we build a model to calculate negative ion fractions including the contribution from positive ions. The calculations support the nonadiabatic feature of charge transfer.

  8. Spectra of Cold Molecular Ions from Hot Helium Nanodroplets

    Science.gov (United States)

    Drabbels, Marcel

    2012-06-01

    The function of a molecule is intimately related to its structure. Accordingly, in the quest for a better understanding of molecular function, the development of spectroscopic methods to elucidate molecular structures increasingly takes central stage. The amount of detail that can be derived from spectra depends on the experimental conditions, most notably on the temperature of the sample and the intermolecular interactions a molecule experiences. Helium nanodroplets provide in this respect an almost ideal matrix [1, 2]. For neutral molecules, helium nanodroplet spectroscopy thus has led to important discoveries related to the structure of key molecular systems and has provided insight into the mechanisms underlying chemical reactions. Compared to the level of sophistication that has been reached for neutrals, the spectroscopic exploration of ions is still in its infancy. The use of helium droplets as a cryogenic matrix could potentially solve many of the technical challenges associated with recording high-resolution spectra of cold molecular ions. Here, we will present a method to record spectra of ion containing helium nanodroplets that finds its roots in the nonthermal cooling dynamics of excited molecular ions. In addition, spectra of several molecular ions will be present and the influence of the helium environment on these spectra will be discussed. [1] G. Scoles, and K. K. Lehmann, Science 287, 2429 (2000). [2] J. P. Toennies, and A. F. Vilesov, Angew. Chem. Int. Ed. 43, 2622 (2004).

  9. Shot-to-shot reproducibility in the emission of fast highly charged metal ions from a laser ion source.

    Science.gov (United States)

    Krása, J; Velyhan, A; Margarone, D; Krouský, E; Krouský, L; Jungwirth, K; Rohlena, K; Ullschmied, J; Parys, P; Ryć, L; Wołowski, J

    2012-02-01

    The generation of fast highly charged metal ions with the use of the sub-nanosecond Prague Asterix Laser System, operated at a fundamental wavelength of 1315 nm, is reported. Particular attention is paid to shot-to-shot reproducibility in the ion emission. Au and Pd targets were exposed to intensities up to 5 × 10(16) W∕cm(2). Above the laser intensity threshold of ∼3 × 10(14) W∕cm(2) the plasma is generated in a form of irregular bursts. The maximum energy of protons constituting the leading edge of the fastest burst reaches a value up to 1 MeV. The fast ions in the following bursts have energy gradually decreasing with the increasing burst number, namely, from a value of about 0.5 MeV∕charge regardless of the atomic number and mass of the ionized species.

  10. Global anomalous transport of ICRH- and NBI-heated fast ions

    CERN Document Server

    Wilkie, George J; Abel, Ian G; Dorland, William; Fülöp, Tünde

    2016-01-01

    By taking advantage of the trace approximation, one can gain an enormous computational advantage when solving for the global turbulent transport of impurities. In particular, this makes feasible the study of non-Maxwellian transport coupled in radius and energy, allowing collisions and transport to be accounted for on similar time scales, as occurs for fast ions. In this work, we study the fully-nonlinear ITG-driven trace turbulent transport of locally heated and injected fast ions. Previous results indicated the existence of MeV-range minorities heated by cyclotron resonance, and an associated density pinch effect. Here, we build upon this result using the t3core code to solve for the distribution of these minorities, consistently including the effects of collisions, gyrokinetic turbulence, and heating. Using the same tool to study the transport of injected fast ions, we contrast the qualitative features of their transport with that of the heated minorities. Furthermore, we move beyond the trace approximatio...

  11. High-definition velocity-space tomography of fast-ion dynamics

    DEFF Research Database (Denmark)

    Salewski, Mirko; Geiger, B.; Jacobsen, A.S.

    2016-01-01

    Velocity-space tomography of the fast-ion distribution function in a fusion plasma is usually a photon-starved tomography method due to limited optical access and signal-to-noise ratio of fast-ion Dα (FIDA) spectroscopy as well as the strive for high-resolution images. In high-definition tomography......, prior information makes up for this lack of data. We restrict the target velocity space through the measured absence of FIDA light, impose phase-space densities to be non-negative, and encode the known geometry of neutral beam injection (NBI) sources. We further use a numerical simulation as prior...... information to reconstruct where in velocity space the measurements and the simulation disagree. This alternative approach is demonstrated for four-view as well as for two-view FIDA measurements. The high-definition tomography tools allow us to study fast ions in sawtoothing plasmas and the formation of NBI...

  12. Reduced Fast Ion Transport Model For The Tokamak Transport Code TRANSP

    Energy Technology Data Exchange (ETDEWEB)

    Podesta,, Mario; Gorelenkova, Marina; White, Roscoe

    2014-02-28

    Fast ion transport models presently implemented in the tokamak transport code TRANSP [R. J. Hawryluk, in Physics of Plasmas Close to Thermonuclear Conditions, CEC Brussels, 1 , 19 (1980)] are not capturing important aspects of the physics associated with resonant transport caused by instabilities such as Toroidal Alfv en Eigenmodes (TAEs). This work describes the implementation of a fast ion transport model consistent with the basic mechanisms of resonant mode-particle interaction. The model is formulated in terms of a probability distribution function for the particle's steps in phase space, which is consistent with the MonteCarlo approach used in TRANSP. The proposed model is based on the analysis of fast ion response to TAE modes through the ORBIT code [R. B. White et al., Phys. Fluids 27 , 2455 (1984)], but it can be generalized to higher frequency modes (e.g. Compressional and Global Alfv en Eigenmodes) and to other numerical codes or theories.

  13. Stability properties and fast ion confinement of hybrid tokamak plasma configurations

    Science.gov (United States)

    Graves, J. P.; Brunetti, D.; Pfefferle, D.; Faustin, J. M. P.; Cooper, W. A.; Kleiner, A.; Lanthaler, S.; Patten, H. W.; Raghunathan, M.

    2015-11-01

    In hybrid scenarios with flat q just above unity, extremely fast growing tearing modes are born from toroidal sidebands of the near resonant ideal internal kink mode. New scalings of the growth rate with the magnetic Reynolds number arise from two fluid effects and sheared toroidal flow. Non-linear saturated 1/1 dominant modes obtained from initial value stability calculation agree with the amplitude of the 1/1 component of a 3D VMEC equilibrium calculation. Viable and realistic equilibrium representation of such internal kink modes allow fast ion studies to be accurately established. Calculations of MAST neutral beam ion distributions using the VENUS-LEVIS code show very good agreement of observed impaired core fast ion confinement when long lived modes occur. The 3D ICRH code SCENIC also enables the establishment of minority RF distributions in hybrid plasmas susceptible to saturated near resonant internal kink modes.

  14. Molecular characterization of microbial mutations induced by ion beam irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ichida, Hiroyuki [Graduate School of Science and Technology, Chiba University, Matsudo, Chiba 271-8510 (Japan); Accelerator Applications Research Group, Nishina Center for Accelerator-Based Science, RIKEN, Wako, Saitama 351-0198 (Japan)], E-mail: ichida@riken.jp; Matsuyama, Tomoki [Cellular Biochemistry Laboratory, Discovery Research Institute, RIKEN, Wako, Saitama 351-0198 (Japan); Ryuto, Hiromichi [Accelerator Operation Group, Nishina Center for Accelerator-Based Science, RIKEN, Wako, Saitama 351-0198 (Japan); Hayashi, Yoriko [Accelerator Applications Research Group, Nishina Center for Accelerator-Based Science, RIKEN, Wako, Saitama 351-0198 (Japan); Fukunishi, Nobuhisa [Accelerator Operation Group, Nishina Center for Accelerator-Based Science, RIKEN, Wako, Saitama 351-0198 (Japan); Abe, Tomoko [Accelerator Applications Research Group, Nishina Center for Accelerator-Based Science, RIKEN, Wako, Saitama 351-0198 (Japan); Koba, Takato [Graduate School of Science and Technology, Chiba University, Matsudo, Chiba 271-8510 (Japan)

    2008-03-01

    A positive selection system for gene disruption using a sucrose-sensitive transgenic rhizobium was established and used for the molecular characterization of mutations induced by ion beam irradiations. Single nucleotide substitutions, insertions, and deletions were found to occur in the sucrose sensitivity gene, sacB, when the reporter line was irradiated with highly accelerated carbon and iron ion beams. In all of the insertion lines, fragments of essentially the same sequence and of approximately 1188 bp in size were identified in the sacB regions. In the deletion lines, iron ions showed a tendency to induce larger deletions than carbon ions, suggesting that higher LET beams cause larger deletions. We found also that ion beams, particularly 'heavier' ion beams, can produce single gene disruptions and may present an effective alternative to transgenic approaches.

  15. Comparison of fast ion confinement during on-axis and off-axis neutral beam experiments on NSTX-U

    Science.gov (United States)

    Liu, D.; Heidbrink, W. W.; Hao, G. Z.; Podesta, M.; Darrow, D. S.; Fredrickson, E. D.; Medley, S. S.

    2015-11-01

    A second and more tangential neutral beam line is a major upgrade component of the National Spherical Torus Experiment - Upgrade (NSTX-U) with the purpose of improving neutral beam current drive efficiency and providing more flexibility in current/pressure profile control. Good fast ion confinement is essential to achieve the anticipated improvements in performance. In a planed ``sanity check'' experiment, various short and long (relative to fast ion slowing-down time) neutral beam (NB) pulses with different source mixes will be injected into quiescent L-mode plasmas to characterize the fast ion confinement and distribution function produced by the new and the existing NBI lines. The neutron rate decay after the turn-off of short NB pulses will be used to estimate the fast ion confinement time and to investigate its dependence on NB source/geometry, injection energy, and plasma current. The newly installed Solid State Neutral Particle Analyzer (SSNPA) and Fast-Ion D-Alapha (FIDA) diagnostics will be described and will be used to measure fast ion slowing-down distribution function and spatial profile during the injection of relatively long NB pulses. Fast ion prompt losses will be monitored with a scintillator Fast Lost Ion Probe (sFLIP) diagnostic. The experimental techniques, measurements of fast ion confinement time and distribution function, and comparisons with classical predictions from NUBEAM modeling will be presented in detail. Work supported by US DOE.

  16. Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport.

    Science.gov (United States)

    Choudhury, Snehashis; Tu, Zhengyuan; Stalin, Sanjuna; Vu, Dylan; Fawole, Kristen; Gunceler, Deniz; Sundararaman, Ravishankar; Archer, Lynden

    2017-08-17

    Rechargeable batteries based on metallic anodes are of interest for fundamental and applications-focused studies of chemical and physical kinetics of liquids at solid interfaces. Approaches that allow facile creation of uniform coatings on these metals to prevent physical contact with liquid electrolytes, while enabling fast ion-transport, are essential to address chemical instability of the anodes. Here, we report a simple electroless ion-exchange chemistry for creating coatings of the metal Indium on lithium. By means of Joint-Density Functional theory and interfacial characterization experiments, we show that In coatings stabilize Li by multiple processes, including enabling exceptionally fast surface diffusion of lithium ions and high chemical resistance to liquid electrolytes. Indium coatings also undergo reversible alloying reactions with lithium ions, facilitating design of high-capacity hybrid In-Li anodes that utilize both alloying and plating chemistries for charge storage. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Improved Collective Thomson Scattering measurements of fast ions at ASDEX Upgrade

    CERN Document Server

    Rasmussen, J; Stejner, M; Salewski, M; Jacobsen, A S; Korsholm, S B; Leipold, F; Meo, F; Michelsen, P K; Moseev, D; Schubert, M; Stober, J; Tardini, G; Wagner, D

    2013-01-01

    Understanding the behaviour of the confined fast ions is important in both current and future fusion experiments. These ions play a key role in heating the plasma and will be crucial for achieving conditions for burning plasma in next-step fusion devices. Microwave-based Collective Thomson Scattering (CTS) is well suited for reactor conditions and offers such an opportunity by providing measurements of the confined fast-ion distribution function resolved in space, time and 1D velocity space. We currently operate a CTS system at ASDEX Upgrade using a gyrotron which generates probing radiation at 105 GHz. A new setup using two independent receiver systems has enabled improved subtraction of the background signal, and hence the first accurate characterization of fast-ion properties. Here we review this new dual-receiver CTS setup and present results on fast-ion measurements based on the improved background characterization. These results have been obtained both with and without NBI heating, and with the measurem...

  18. Theory of ion transport with fast acid-base equilibrations in bioelectrochemical systems

    Science.gov (United States)

    Dykstra, J. E.; Biesheuvel, P. M.; Bruning, H.; Ter Heijne, A.

    2014-07-01

    Bioelectrochemical systems recover valuable components and energy in the form of hydrogen or electricity from aqueous organic streams. We derive a one-dimensional steady-state model for ion transport in a bioelectrochemical system, with the ions subject to diffusional and electrical forces. Since most of the ionic species can undergo acid-base reactions, ion transport is combined in our model with infinitely fast ion acid-base equilibrations. The model describes the current-induced ammonia evaporation and recovery at the cathode side of a bioelectrochemical system that runs on an organic stream containing ammonium ions. We identify that the rate of ammonia evaporation depends not only on the current but also on the flow rate of gas in the cathode chamber, the diffusion of ammonia from the cathode back into the anode chamber, through the ion exchange membrane placed in between, and the membrane charge density.

  19. Large scale molecular dynamics simulations of a liquid crystalline droplet with fast multipole implementations

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Z.; Lupo, J.; Patnaik, S.S.; McKenney, A.; Pachter, R.

    1999-07-01

    The Fast Multipole Method (FMM) offers an efficient way (order O(N)) to handle long range electrostatic interactions, thus enabling more realistic molecular dynamics simulations of large molecular systems. The performance of the fast molecular dynamics (FMD) code, a parallel MD code being developed in the group, using the three-dimensional fast multipole method, shows a good speedup. The application to the full atomic-scale molecular dynamics simulation of a liquid crystalline droplet of 4-n-pentyl-4{prime}-cyanobiphenyl (5CB) molecules, of size 35,872 atoms, shows strong surface effects on various orientational order parameters.

  20. Fast cooling of trapped ions using the dynamical Stark shift gate

    OpenAIRE

    Retzker, A.; Plenio, M. B.

    2006-01-01

    A laser cooling scheme for trapped ions is presented which is based on the fast dynamical Stark shift gate, described in [Jonathan etal, PRA 62, 042307]. Since this cooling method does not contain an off resonant carrier transition, low final temperatures are achieved even in traveling wave light field. The proposed method may operate in either pulsed or continuous mode and is also suitable for ion traps using microwave addressing in strong magnetic field gradients.

  1. Investigation of fast-ion generation in a laser plasma according to X-ray line radiation

    Science.gov (United States)

    Basov, N. G.; Maksimchuk, A. M.; Mikhailov, Iu. A.; Rode, A. V.; Getz, K.

    1987-04-01

    The profile of the 1s2-1s2p resonance line of the P XIV phosphorous ion is studied in order to derive the energy spectrum and indicatrix of fast ions in a laser plasma. The energetic and angular characteristics of fast ions are examined. The spectrum and indicatrix are analyzed using a model in which it is assumed that the ions are accelerated as a result of the self-focusing of laser radiation in the plasma corona.

  2. Low fragment polyatomic molecular ion source by using permanent magnets.

    Science.gov (United States)

    Takeuchi, Mitsuaki; Hayashi, Kyouhei; Imanaka, Kousuke; Ryuto, Hiromichi; Takaoka, Gikan H

    2014-02-01

    Electron-ionization-type polyatomic molecular ion source with low fragment was developed by using a pair of ring-shaped Sm-Co magnets. The magnets were placed forward and backward side of ionization part to confine electrons extracted from a thermionic cathode. Calculated electron trajectory of the developed ion source was 20 times longer than that of an ordinary outer filament configuration that has no magnetic confinement. Mass spectra of the molecular ions generated from n-tetradecane (C14H30) gas exhibited 4 times larger intensity than that of the ordinary configuration in a range of mass/charge from 93 to 210 u. This indicates that suppression of fragment ion was obtained by increase of low energy electrons resulted from the electron confinement.

  3. Towards the Precision Spectroscopy of a Single Molecular Ion

    Science.gov (United States)

    Lin, Yen-Wei

    This dissertation presents some development of the single molecular ion precision spectroscopy experiment including construction of the project, spectroscopy state readout, and production of ultracold molecules. Such molecular ion spectroscopy aims at testing fundamental physics such as probing the time variation of electron-proton mass ratio. The theories and characterization of ion traps are first discussed along with information regarding building the ion trapping systems. Then, routines in this project such as loading ions, Doppler laser cooling, excessive micromotion compensation, secular motion detection, and fluorescence imaging are deliberated. In the state readout experiment, the coherent motion of a single trapped barium ion resonantly driving by a radiation pressure is studied. By scattering of order only one hundred photons, the radiation pressure is able to seed a laser-cooled ion with a secular oscillation that is detectable by the Doppler velocimetry technique after proper motional amplification. This seeding method provides a mapping between the ion's internal configuration and its secular motion and can be used to read out the spectroscopy results from a single non-fluorescing ion with a partially-closed cycling transition. The work of ultracold molecule production is done with silicon monoxide ions, which has a strong vibration-conserved spontaneous decay branching. Therefore, by optically pumping the rotational cooling transitions in silicon monoxide ions with a broadband radiation, the population can be efficiently driven into the ground rotational state before falling into other manifolds. To avoid the rotational heating transition, the broadband source, derived from a femtosecond pulsed laser, is spectrally filtered using an ultrashort pulse shaper.

  4. Deposition of molecular probes in heavy ion tracks

    CERN Document Server

    Esser, M

    1999-01-01

    By using polarized fluorescence techniques the physical properties of heavy ion tracks such as the dielectric number, molecular alignment and track radius can be traced by molecular fluorescence probes. Foils of poly(ethylene terephthalate) (PET) were used as a matrix for the ion tracks wherein fluorescence probes such as aminostyryl-derivatives can be incorporated using a suitable solvent, e.g. N,N'-dimethylformamide (DMF) as transport medium. The high sensitivity of fluorescence methods allowed the comparison of the probe properties in ion tracks with the virgin material. From the fluorescence Stokes shift the dielectric constants could be calculated, describing the dielectric surroundings of the molecular probes. The lower dielectric constant in the tracks gives clear evidence that there is no higher accommodation of the highly polar solvent DMF in the tracks compared with the virgin material. Otherwise the dielectric constant in the tracks should be higher than in the virgin material. The orientation of t...

  5. Interferences in Photodetachment of a Negative Molecular Ion

    Institute of Scientific and Technical Information of China (English)

    Ahmad Afaq; DU Meng-Li

    2006-01-01

    The photodetachment of a negative molecular ion is studied theoretically using a two-center model. The detached electron wave function is obtained as a superposition of two coherent waves originating from each center. The photo-detached electron flux is evaluated on a screen placed at a large distance from the negative molecular ion. The electron flux on the screen displays strong interferences, the peak positions are related to the distance between the two centers in the negative molecular ion. We also obtained a simple analytical formula for the total photodetachment cross section. It approaches one and two times of the cross section for the one-center system in the high and low photon energy limits respectively.

  6. Microwave quantum logic spectroscopy and control of molecular ions

    DEFF Research Database (Denmark)

    Shi, M.; F. Herskind, P.; Drewsen, M.

    2013-01-01

    A general method for rotational microwave spectroscopy and control of polar molecular ions via direct microwave addressing is considered. Our method makes use of spatially varying AC Stark shifts, induced by far off-resonant, focused laser beams to achieve an effective coupling between the rotati......A general method for rotational microwave spectroscopy and control of polar molecular ions via direct microwave addressing is considered. Our method makes use of spatially varying AC Stark shifts, induced by far off-resonant, focused laser beams to achieve an effective coupling between...... for rotational ground state cooling, and can be considered as a candidate for the quantum information processing with polar molecular ions. All elements of our proposal can be realized with currently available technology....

  7. First measurements of Dα spectrum produced by anisotropic fast ions in the gas dynamic trap

    Science.gov (United States)

    Lizunov, A.; Anikeev, A.

    2014-11-01

    Angled injection of eight deuterium beams in gas dynamic trap (GDT) plasmas builds up the population of fast ions with the distribution function, which conserves a high degree of initial anisotropy in space, energy, and pitch angle. Unlike the Maxwellian distribution case, the fast ion plasma component in GDT cannot be exhaustively characterized by the temperature and density. The instrumentation complex to study of fast ions is comprised of motional Stark effect diagnostic, analyzers of charge exchange atoms, and others. The set of numerical codes using for equilibrium modeling is also an important tool of analysis. In the recent campaign of summer 2014, we recorded first signals from the new fast ion D-alpha diagnostic on GDT. This paper presents the diagnostic description and results of pilot measurements. The diagnostic has four lines of sight, distributed across the radius of an axially symmetric plasma column in GDT. In the present setup, a line-integrated optical signal is measured in each channel. In the transverse direction, the spatial resolution is 18 mm. Collected light comes to the grating spectrometer with the low-noise detector based on a charge-coupled device matrix. In the regime of four spectra stacked vertically on the sensor, the effective spectral resolution of measurements is approximately 0.015 nm. Exposure timing is provided by the fast optical ferroelectric crystal shutter, allowing frames of duration down to 70 μs. This number represents the time resolution of measurements. A large dynamic range of the camera permits for a measurement of relatively small light signals produced by fast ions on top of the bright background emission from the bulk plasma. The fast ion emission has a non-Gaussian spectrum featuring the characteristic width of approximately 4 nm, which can be separated from relatively narrow Gaussian lines of D-alpha and H-alpha coming from the plasma periphery, and diagnostic beam emission. The signal to noise ratio varies

  8. Formation of molecular ions by radiative association of cold trapped atoms and ions

    CERN Document Server

    Silva, Humberto Da; Aymar, Mireille; Dulieu, Olivier

    2015-01-01

    Radiative emission during cold collisions between trapped laser-cooled Rb atoms and alkaline-earth ions (Ca + , Sr + , Ba +) and Yb + are studied theoretically, using accurate effective-core-potential based quantum chemistry calculations of potential energy curves and transition dipole moments of the related molecular ions. Radiative association of molecular ions is predicted to occur for all systems with a cross section two to ten times larger than the radiative charge transfer one. Partial and total rate constants are also calculated and compared to available experiments. Narrow shape resonances are expected, which could be detectable at low temperature with an experimental resolution at the limit of the present standards. Vibrational distributions are also calculated, showing that the final molecular ions are not created in their ground state level.

  9. Influence of salt ions on binding to molecularly imprinted polymers.

    OpenAIRE

    Kempe, Henrik; Kempe, Maria

    2010-01-01

    Salt ions were found to have an influence on template binding to two model molecularly imprinted polymers (MIPs), targeted to penicillin G and propranolol, respectively, in water-acetonitrile mixtures. Water was detrimental to rebinding of penicillin G whereas propranolol bound in the entire water-acetonitrile range tested. In 100% aqueous solution, 3-M salt solutions augmented the binding of both templates. The effects followed the Hofmeister series with kosmotropic ions promoting the larges...

  10. Single electron capture in fast ion-atom collisions

    Science.gov (United States)

    Milojević, Nenad

    2014-12-01

    Single-electron capture cross sections in collisions between fast bare projectiles and heliumlike atomic systems are investigated by means of the four-body boundary-corrected first Born (CB1-4B) approximation. The prior and post transition amplitudes for single charge exchange encompassing symmetric and asymmetric collisions are derived in terms of twodimensional real integrals in the case of the prior form and five-dimensional quadratures for the post form. The dielectronic interaction V12 = 1/r12 = 1/|r1 - r2| explicitly appears in the complete perturbation potential Vf of the post transition probability amplitude T+if. An illustrative computation is performed involving state-selective and total single capture cross sections for the p - He (prior and post form) and He2+, Li3+Be4+B5+C6+ - He (prior form) collisions at intermediate and high impact energies. We have also studied differential cross sections in prior and post form for single electron transfer from helium by protons. The role of dynamic correlations is examined as a function of increased projectile energy. Detailed comparisons with the measurements are carried out and the obtained theoretical cross sections are in reasonable agreement with the available experimental data.

  11. Preface: Photon and fast Ion induced Processes in Atoms, MOlecules and Nanostructures (PIPAMON)

    Science.gov (United States)

    Kövér, László

    2016-02-01

    This Special Issue contains selected papers of contributions presented in the International Workshop on Photon and fast Ion induced Processes in Atoms, MOlecules and Nanostructures (PIPAMON), held between March 24 and 26, 2015 in Debrecen, Hungary. The venue, the Aquaticum Thermal and Wellness Hotel provided a pleasant "all-under-one-roof" environment for the event.

  12. Fast ion millimeter wave collective Thomson scattering diagnostics on TEXTOR and ASDEX upgrades

    DEFF Research Database (Denmark)

    Michelsen, S.; Korsholm, Søren Bang; Bindslev, H.

    2004-01-01

    Collective Thomson scattering (CTS) diagnostic systems for measuring fast ions in TEXTOR and ASDEX Upgrade are described in this article. Both systems use millimeter waves generated by gyrotrons as probing radiation and the scattered radiation is detected with heterodyne receivers having 40...

  13. On velocity-space sensitivity of fast-ion D-alpha spectroscopy

    DEFF Research Database (Denmark)

    Salewski, Mirko; Geiger, B.; Moseev, Dmitry

    2014-01-01

    The velocity-space observation regions and sensitivities in fast-ion Dα (FIDA) spectroscopy measurements are often described by so-called weight functions. Here we derive expressions for FIDA weight functions accounting for the Doppler shift, Stark splitting, and the charge-exchange reaction and ...

  14. Inversion methods for fast-ion velocity-space tomography in fusion plasmas

    DEFF Research Database (Denmark)

    Jacobsen, Asger Schou; Stagner, L.; Salewski, Mirko

    2016-01-01

    Velocity-space tomography has been used to infer 2D fast-ion velocity distribution functions. Here we compare the performance of five different tomographic inversion methods: truncated singular value decomposition, maximum entropy, minimum Fisher information and zeroth and first-order Tikhonov re...

  15. High-performance rechargeable batteries with fast solid-state ion conductors

    Energy Technology Data Exchange (ETDEWEB)

    Farmer, Joseph C.

    2017-06-27

    A high-performance rechargeable battery using ultra-fast ion conductors. In one embodiment the rechargeable battery apparatus includes an enclosure, a first electrode operatively connected to the enclosure, a second electrode operatively connected to the enclosure, a nanomaterial in the enclosure, and a heat transfer unit.

  16. Temporal evolution of confined fast-ion velocity distributions measured by collective Thomson scattering in TEXTOR

    DEFF Research Database (Denmark)

    Nielsen, Stefan Kragh; Bindslev, Henrik; Porte, L.

    2008-01-01

    of scattering locations and different resolved velocity components can be measured. The temporal resolution is 4 ms while the spatial resolution is similar to 10 cm depending on the scattering geometry. Fast-ion velocity distributions in a variety of scenarios are measured, including the evolution...

  17. Comparison of fast ion collective Thomson scattering measurements at ASDEX Upgrade with numerical simulations

    DEFF Research Database (Denmark)

    Salewski, Mirko; Meo, Fernando; Stejner Pedersen, Morten

    2010-01-01

    Collective Thomson scattering (CTS) experiments were carried out at ASDEX Upgrade to measure the one-dimensional velocity distribution functions of fast ion populations. These measurements are compared with simulations using the codes TRANSP/NUBEAM and ASCOT for two different neutral beam injection...

  18. Numerical studies of fast ion slowing down rates in cool magnetized plasma using LSP

    Science.gov (United States)

    Evans, Eugene S.; Kolmes, Elijah; Cohen, Samuel A.; Rognlien, Tom; Cohen, Bruce; Meier, Eric; Welch, Dale R.

    2016-10-01

    In MFE devices, rapid transport of fusion products from the core into the scrape-off layer (SOL) could perform the dual roles of energy and ash removal. The first-orbit trajectories of most fusion products from small field-reversed configuration (FRC) devices will traverse the SOL, allowing those particles to deposit their energy in the SOL and be exhausted along the open field lines. Thus, the fast ion slowing-down time should affect the energy balance of an FRC reactor and its neutron emissions. However, the dynamics of fast ion energy loss processes under the conditions expected in the FRC SOL (with ρe fast ions in a cool plasma. As we use explicit algorithms, these simulations must spatially resolve both ρe and λDe, as well as temporally resolve both Ωe and ωpe, increasing computation time. Scaling studies of the fast ion charge (Z) and background plasma density are in good agreement with unmagnetized slowing down theory. Notably, Z-scaling represents a viable way to dramatically reduce the required CPU time for each simulation. This work was supported, in part, by DOE Contract Number DE-AC02-09CH11466.

  19. Fast-ion transport induced by Alfvén eigenmodes in the ASDEX Upgrade tokamak

    DEFF Research Database (Denmark)

    Garcia-Munoz, M.; Classen, I.G.J.; Geiger, B.

    2011-01-01

    A comprehensive suite of diagnostics has allowed detailed measurements of the Alfvén eigenmode (AE) spatial structure and subsequent fast-ion transport in the ASDEX Upgrade (AUG) tokamak [1]. Reversed shear Alfvén eigenmodes (RSAEs) and toroidal induced Alfvén eigenmodes (TAEs) have been driven u...

  20. Simple and Fast Scheme for Realizing Quantum Logic Gates in an Ion Trap

    Institute of Scientific and Technical Information of China (English)

    ZHENG Shi-Biao

    2004-01-01

    We propose a simple and fast scheme to realize a controlled-NOT gate between two trapped ions using a resonant laser pulse. Our scheme allows the Rabi frequency of the laser field to be of the order of the vibrational frequency and thus the time required to complete the operation is greatly shortened, which is of importance in view of decoherence.

  1. Measurement and simulation of passive fast-ion D-alpha emission from the DIII-D tokamak

    Science.gov (United States)

    Bolte, Nathan G.; Heidbrink, William W.; Pace, David; Van Zeeland, Michael; Chen, Xi

    2016-11-01

    Spectra of passive fast-ion D-alpha (FIDA) light from beam ions that charge exchange with background neutrals are measured and simulated. The fast ions come from three sources: ions that pass through the diagnostic sightlines on their first full orbit, an axisymmetric confined population, and ions that are expelled into the edge region by instabilities. A passive FIDA simulation (P-FIDASIM) is developed as a forward model for the spectra of the first-orbit fast ions and consists of an experimentally-validated beam deposition model, an ion orbit-following code, a collisional-radiative model, and a synthetic spectrometer. Model validation consists of the simulation of 86 experimental spectra that are obtained using 6 different neutral beam fast-ion sources and 13 different lines of sight. Calibrated spectra are used to estimate the neutral density throughout the cross-section of the tokamak. The resulting 2D neutral density shows the expected increase toward each X-point with average neutral densities of 8× {{10}9}~\\text{c}{{\\text{m}}-3} at the plasma boundary and 1× {{10}11}~\\text{c}{{\\text{m}}-3} near the wall. Fast ions that are on passing orbits are expelled by the sawtooth instability more readily than trapped ions. In a sample discharge, approximately 1% of the fast-ion population is ejected into the high neutral density region per sawtooth crash.

  2. Analysis of fast ion induced instabilities in tokamak plasmas

    CERN Document Server

    Horváth, László

    2015-01-01

    In magnetic confinement fusion devices like tokamaks, it is crucial to confine the high energy fusion-born helium nuclei ($\\alpha$-particles) to maintain the energy equilibrium of the plasma. However, energetic ions can excite various instabilities which can lead to their enhanced radial transport. Consequently, these instabilities may degrade the heating efficiency and they can also cause harmful power loads on the plasma-facing components of the device. Therefore, the understanding of these modes is a key issue regarding future burning plasma experiments. One of the main open questions concerning energetic particle (EP) driven instabilities is the non-linear evolution of the mode structure. In this thesis, I present my results on the investigation of $\\beta$-induced Alfv\\'{e}n eigenmodes (BAEs) and EP-driven geodesic acoustic modes (EGAMs) observed in the ramp-up phase of off-axis NBI heated plasmas in the ASDEX Upgrade tokamak. These modes were well visible on several line-of-sights (LOSs) of the soft X-ra...

  3. Quantification of the impact of large and small-scale instabilities on the fast-ion confinement in ASDEX Upgrade

    DEFF Research Database (Denmark)

    Geiger, B.; Weiland, M.; Mlynek, A.

    2015-01-01

    The confinement fast ions, generated by neutral beam injection (NBI), has been investigated at the ASDEX Upgrade tokamak. In plasmas that exhibit strong sawtooth crashes, a significant sawtooth-induced internal redistribution of mainly passing fast ions is observed, which is in very good agreemen...

  4. Experimental and simulated fast ion velocity distributions on collective Thomson scattering diagnostic in the Large Helical Device

    DEFF Research Database (Denmark)

    Nishiura, M.; Kubo, S.; Tanaka, K.

    2012-01-01

    We have developed a collective Thomson scattering diagnostic system in the LHD. The CTS spectrum spread is observed in the frequency region corresponding to the bulk and fast ions during NB injection. The NB originated fast ions are evaluated by the MORH code for understanding the measured CTS sp...

  5. Fast-ion redistribution due to sawtooth crash in the TEXTOR tokamak measured by collective Thomson scattering

    DEFF Research Database (Denmark)

    Nielsen, Stefan Kragh; Bindslev, Henrik; Salewski, Mirko;

    2010-01-01

    Here we present collective Thomson scattering measurements of 1D fast-ion velocity distribution functions in neutral beam heated TEXTOR plasmas with sawtooth oscillations. Up to 50% of the fast ions in the centre are redistributed as a consequence of a sawtooth crash. We resolve various directions...

  6. First fast-ion D-alpha (FIDA) measurements and simulations on C-2U

    Energy Technology Data Exchange (ETDEWEB)

    Bolte, N. G., E-mail: nbolte@TriAlphaEnergy.com; Gupta, D.; Onofri, M.; Dettrick, S.; Granstedt, E. M.; Petrov, P. [Tri Alpha Energy, Inc., P.O. Box 7010, Rancho Santa Margarita, California 92688 (United States); Stagner, L. [University of California, Irvine, Irvine, California 92697 (United States)

    2016-11-15

    The first measurements of fast-ion D-alpha (FIDA) radiation have been acquired on C-2U, Tri Alpha Energy’s advanced, beam-driven field-reversed configuration (FRC). These measurements are also forward modeled by FIDASIM. This is the first measurement and simulation of FIDA carried out on an FRC topology. FIDA measurements are made of Doppler-shifted Balmer-alpha light from neutralized fast ions using a bandpass filter and photomultiplier tube. One adjustable line-of-sight measured signals at eight locations and eight times during the FRC lifetime over 26 discharges. Filtered signals include only the highest energy ions (>6 keV) and share some salient features with the FIDASIM result. Highly Doppler-shifted beam radiation is also measured with a high-speed camera and is spatially well-correlated with FIDASIM.

  7. First fast-ion D-alpha (FIDA) measurements and simulations on C-2U

    Science.gov (United States)

    Bolte, N. G.; Gupta, D.; Stagner, L.; Onofri, M.; Dettrick, S.; Granstedt, E. M.; Petrov, P.

    2016-11-01

    The first measurements of fast-ion D-alpha (FIDA) radiation have been acquired on C-2U, Tri Alpha Energy's advanced, beam-driven field-reversed configuration (FRC). These measurements are also forward modeled by FIDASIM. This is the first measurement and simulation of FIDA carried out on an FRC topology. FIDA measurements are made of Doppler-shifted Balmer-alpha light from neutralized fast ions using a bandpass filter and photomultiplier tube. One adjustable line-of-sight measured signals at eight locations and eight times during the FRC lifetime over 26 discharges. Filtered signals include only the highest energy ions (>6 keV) and share some salient features with the FIDASIM result. Highly Doppler-shifted beam radiation is also measured with a high-speed camera and is spatially well-correlated with FIDASIM.

  8. Predicting Molecular Crowding Effects in Ion-RNA Interactions.

    Science.gov (United States)

    Yu, Tao; Zhu, Yuhong; He, Zhaojian; Chen, Shi-Jie

    2016-09-01

    We develop a new statistical mechanical model to predict the molecular crowding effects in ion-RNA interactions. By considering discrete distributions of the crowders, the model can treat the main crowder-induced effects, such as the competition with ions for RNA binding, changes of electrostatic interaction due to crowder-induced changes in the dielectric environment, and changes in the nonpolar hydration state of the crowder-RNA system. To enhance the computational efficiency, we sample the crowder distribution using a hybrid approach: For crowders in the close vicinity of RNA surface, we sample their discrete distributions; for crowders in the bulk solvent away from the RNA surface, we use a continuous mean-field distribution for the crowders. Moreover, using the tightly bound ion (TBI) model, we account for ion fluctuation and correlation effects in the calculation for ion-RNA interactions. Applications of the model to a variety of simple RNA structures such as RNA helices show a crowder-induced increase in free energy and decrease in ion binding. Such crowding effects tend to contribute to the destabilization of RNA structure. Further analysis indicates that these effects are associated with the crowder-ion competition in RNA binding and the effective decrease in the dielectric constant. This simple ion effect model may serve as a useful framework for modeling more realistic crowders with larger, more complex RNA structures.

  9. Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water.

    Science.gov (United States)

    Mehandzhiyski, Aleksandar Y; Riccardi, Enrico; van Erp, Titus S; Trinh, Thuat T; Grimes, Brian A

    2015-08-20

    The interaction between a carboxylate anion (deprotonated propanoic acid) and the divalent Mg(2+), Ca(2+), Sr(2+), Ba(2+) metal ions is studied via ab initio molecular dynamics. The main focus of the study is the selectivity of the carboxylate-metal ion interaction in aqueous solution. The interaction is modeled by explicitly accounting for the solvent molecules on a DFT level. The hydration energies of the metal ions along with their diffusion and mobility coefficients are determined and a trend correlated with their ionic radius is found. Subsequently, a series of 16 constrained molecular dynamics simulations for every ion is performed, and the interaction free energy is obtained from thermodynamic integration of the forces between the metal ion and the carboxylate ion. The results indicate that the magnesium ion interacts most strongly with the carboxylate, followed by calcium, strontium, and barium. Because the interaction free energy is not enough to explain the selectivity of the reaction observed experimentally, more detailed analysis is performed on the simulation trajectories to understand the steric changes in the reaction complex during dissociation. The solvent dynamics appear to play an important role during the dissociation of the complex and also in the observed selectivity behavior of the divalent ions.

  10. Nuclear spin-rotation interaction in the hydrogen molecular ion

    CERN Document Server

    Babb, J F

    1995-01-01

    The nuclear spin--rotation interaction in the hyperfine structure of the hydrogen molecular ion is investigated. The interaction constants are determined and are found to differ in sign and magnitude compared to another theory, but they are in agreement with some values derived from experiment.

  11. Validation of fast-ion D-alpha spectrum measurements during EAST neutral-beam heated plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Huang, J., E-mail: juan.huang@ipp.ac.cn; Wu, C. R.; Hou, Y. M.; Chang, J. F.; Ding, S. Y.; Chen, Y. J.; Jin, Z.; Xu, Z.; Gao, W.; Wang, J. F.; Lyu, B.; Zang, Q.; Zhong, G. Q.; Hu, L.; Wan, B. [Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, 230031 Hefei, Anhui (China); Heidbrink, W. W.; Stagner, L.; Zhu, Y. B. [University of California, Irvine, California 92697 (United States); Hellermann, M. G. von [Diagnostic Team, ITER Organization, Route de Vinon-sur-Verdon 13067 St. Paul Lez Durance (France)

    2016-11-15

    To investigate the fast ion behavior, a fast ion D-alpha (FIDA) diagnostic system has been installed on EAST. Fast ion features can be inferred from the Doppler shifted spectrum of Balmer-alpha light from energetic hydrogenic atoms. This paper will focus on the validation of FIDA measurements performed using MHD-quiescent discharges in 2015 campaign. Two codes have been applied to calculate the D{sub α} spectrum: one is a Monte Carlo code, Fortran 90 version FIDASIM, and the other is an analytical code, Simulation of Spectra (SOS). The predicted SOS fast-ion spectrum agrees well with the measurement; however, the level of fast-ion part from FIDASIM is lower. The discrepancy is possibly due to the difference between FIDASIM and SOS velocity distribution function. The details will be presented in the paper to primarily address comparisons of predicted and observed spectrum shapes/amplitudes.

  12. Validation of fast-ion D-alpha spectrum measurements during EAST neutral-beam heated plasmas

    Science.gov (United States)

    Huang, J.; Heidbrink, W. W.; von Hellermann, M. G.; Stagner, L.; Wu, C. R.; Hou, Y. M.; Chang, J. F.; Ding, S. Y.; Chen, Y. J.; Zhu, Y. B.; Jin, Z.; Xu, Z.; Gao, W.; Wang, J. F.; Lyu, B.; Zang, Q.; Zhong, G. Q.; Hu, L.; Wan, B.

    2016-11-01

    To investigate the fast ion behavior, a fast ion D-alpha (FIDA) diagnostic system has been installed on EAST. Fast ion features can be inferred from the Doppler shifted spectrum of Balmer-alpha light from energetic hydrogenic atoms. This paper will focus on the validation of FIDA measurements performed using MHD-quiescent discharges in 2015 campaign. Two codes have been applied to calculate the Dα spectrum: one is a Monte Carlo code, Fortran 90 version FIDASIM, and the other is an analytical code, Simulation of Spectra (SOS). The predicted SOS fast-ion spectrum agrees well with the measurement; however, the level of fast-ion part from FIDASIM is lower. The discrepancy is possibly due to the difference between FIDASIM and SOS velocity distribution function. The details will be presented in the paper to primarily address comparisons of predicted and observed spectrum shapes/amplitudes.

  13. Utilizing Ion-Mobility Data to Estimate Molecular Masses

    Science.gov (United States)

    Duong, Tuan; Kanik, Isik

    2008-01-01

    A method is being developed for utilizing readings of an ion-mobility spectrometer (IMS) to estimate molecular masses of ions that have passed through the spectrometer. The method involves the use of (1) some feature-based descriptors of structures of molecules of interest and (2) reduced ion mobilities calculated from IMS readings as inputs to (3) a neural network. This development is part of a larger effort to enable the use of IMSs as relatively inexpensive, robust, lightweight instruments to identify, via molecular masses, individual compounds or groups of compounds (especially organic compounds) that may be present in specific environments or samples. Potential applications include detection of organic molecules as signs of life on remote planets, modeling and detection of biochemicals of interest in the pharmaceutical and agricultural industries, and detection of chemical and biological hazards in industrial, homeland-security, and industrial settings.

  14. Weak links between fast mobility and local structure in molecular and atomic liquids

    CERN Document Server

    Bernini, S; Leporini, D

    2016-01-01

    We investigate by Molecular-Dynamics simulations the fast mobility - the rattling amplitude of the particles temporarily trapped by the cage of the neighbors - in mildly supercooled states of dense molecular (linear trimers) and atomic (binary mixtures) liquids. The mixture particles interact by the Lennard-Jones potential. The non-bonded particles of the molecular system are coupled by the more general Mie potential with variable We investigate by Molecular-Dynamics simulations the fast mobility - the rattling amplitude of the particles temporarily trapped by the cage of the neighbors - in mildly supercooled states of dense molecular (linear trimers) and atomic (binary mixtures) liquids. The mixture particles interact by the Lennard-Jones potential. The non-bonded particles of the molecular system are coupled by the more general Mie potential with variable repulsive and attractive exponents in a range which is characteristic of small $n$-alkanes and $n$-alcohols. Possible links between the fast mobility and ...

  15. Interferences in Photodetachment of a Negative Molecular Ion Model

    Institute of Scientific and Technical Information of China (English)

    A. Afaq; DU Meng-Li

    2008-01-01

    By employing a two-center model, the total and differential cross sections in the photodetachment of "a negative molecular ion" are studied theoretically and obtained for the case of light polarization parallel to the molecular axis. We find that in contrast to the smooth behavior of the total cross section for perpendicular polarized light, the cross section for parallel polarized light shows an interesting oscillatory structure. The oscillations in the total cross section may provide a method to determine the distance between the two centers. We explain the oscillation in the total cross section as an interference effect using closed-orbit theory. We also calculated the detached-electron flux distributions on a screen placed at a large distance from the negative molecular ion. The distributions display multiple-ring-like interference patterns. Such interference patterns are similar to those in the photodetachment microscopy experiments.

  16. Calixarenes: Versatile molecules as molecular sensors for ion recognition study

    Indian Academy of Sciences (India)

    Subrata Patra; Debdeep Maity; Ravi Gunupuru; Pragati Agnihotri; Parimal Paul

    2012-11-01

    This article presents a brief account on designing of calixarene-based molecular sensor for recognition of various metal ions and anions and also different analytical techniques to monitor the recognition event. This review focuses only on calix[4]arene derivatives, in which mainly the lower rim is modified incorporating either crown moiety to make calix-crown hybrid ionophore to encapsulate metal ions or some fluoregenic inorganic and organic moieties to use it as signalling unit. In order to investigate effect of conformation of the calixarene unit and steric crowding on ion selectivity, designing of these molecules have been made using both the cone and 1,3-alternate conformations of the calixarene unit and also incorporating bulky tert-butyl group in few cases to impose controlled steric crowding. Among various ions, here focuses are mainly on biologically and commercially important alkali metal ion such as K+, toxic metal ions such as Hg2+, Pb2+, Cd2+, important transition metal ion such as Cu2+ and toxic anion like F−. The techniques used to monitor the recognition event and also to determine binding constants with strongly interacting ions are fluorescence, UV-vis and 1H NMR spectroscopy. Most of the ionophores reported in this review have been characterized crystallographically, however no structural information (except one case) are incorporated in this article, as it will occupy space without significant enhancement of chemistry part. Different factors such as size of the ionophore cavity, size of metal ion, coordination sites/donor atoms, steric crowding and solvents, which determine selectivity have been discussed. Response of ion recognition process to different analytical techniques is another interesting factor discussed in this article.

  17. Advanced ion beam analysis of materials using ion-induced fast electron

    Energy Technology Data Exchange (ETDEWEB)

    Kudo, Hiroshi; Tanabe, Atsushi; Ishihara, Toyoyuki [Tsukuba Univ., Ibaraki (Japan)] [and others

    1997-03-01

    Recent progress in the study of high-energy shadowing effect using ion-induced electron spectroscopy is reported with emphasis on a possibility of determination of local electronic structure in solids, which has been a difficult problem to approach with other experimental techniques. We demonstrate real-space determination of covalent-bond electron distribution in Si crystal. The analysis technique may provide a new field of ion beam analysis of solids. (author)

  18. A new type of MHD activity in JET ICRF-only discharges with high fast-ion energy contents

    Energy Technology Data Exchange (ETDEWEB)

    Mantsinen, M.J. [JET Joint Undertaking, Abingdon, Oxfordshire (United Kingdom); Helsinki University of Technology, Association Euratom-Tekes (Finland); Sharapov, S.; Alper, B.; Gondhalekar, A.; McDonald, D.C. [JET Joint Undertaking, Abingdon, Oxfordshire (United Kingdom)

    2000-12-01

    The question of sawtooth stabilization at very high fast-ion energy contents has been addressed in discharges carried out in the JET tokamak with ion cyclotron resonance frequency (ICRF) heating and varying plasma density, controlled by deuterium gas puffs. In these experiments dramatic differences in the sawtooth behaviour have been observed. When the plasma density n{sub e} decreases below a certain threshold, the sawtooth frequency and the crash duration time increase by a factor of five. Since the fast-ion energy content increases with decreasing n{sub e} due to the inverse proportionality of the fast-ion slowing-down time on n{sub e}, the threshold in n{sub e} corresponds to a threshold in the fast-ion energy content. In the present experiments, this threshold is reached when the fast-ion energy contribution to the total plasma diamagnetic energy content becomes larger than 45%. The sawtooth activity with short sawtooth free period is accompanied by MHD activity, with a toroidal mode number n = 1 at frequencies between 55 and 65 kHz. This activity is interpreted as an energetic particle fishbone mode that is resonant with the ICRF-driven fast ions. The experimental results appear to be consistent with the stability diagram for sawtooth and fishbone modes (White 1989 Theory of Tokamak Plasmas (Amsterdam: North-Holland)), exploring the part of the diagram with a very large fast-ion population. (author)

  19. A new type of MHD activity in JET ICRF-only discharges with high fast-ion energy contents

    Energy Technology Data Exchange (ETDEWEB)

    Mantsinen, M.; Sharapov, S.; Alper, B. [and others

    2000-12-01

    The question of sawtooth stabilisation at very high fast ion energy contents has been addressed in discharges carried out in the JET tokamak with ion cyclotron resonance frequency (ICRF) heating and varying plasma density, controlled by deuterium gas puffs. In these experiments dramatic differences in the sawtooth behaviour have been observed. When the plasma density n{sub e} decreases below a certain threshold, the sawtooth frequency and the crash duration time increase by a factor of five. Since the fast-ion energy content increases with decreasing n{sub e} due to the inverse proportionality of the fast-ion slowing-down time on n{sub e}, the threshold in n{sub e} corresponds to a threshold in the fast ion energy content. In the present experiments, this threshold is reached when the fast ion energy contribution to the total plasma diamagnetic energy content becomes larger than 45%. The sawtooth activity with short sawtooth free period is accompanied by MHD activity, with a toroidal mode number n = 1 at frequencies between 55-65 kHz. This activity is interpreted as an energetic particle fishbone mode that is resonant with the ICRF-driven fast ions. The experimental results appear to be consistent with the stability diagram for sawtooth and fishbone modes [White, Theory of Tokamak Plasmas (North-Holland, Amsterdam, 1989)], exploring the part of the diagram with a very large fast ion population. (author)

  20. A new type of MHD activity in JET ICRF-only discharges with high fast-ion energy contents

    Science.gov (United States)

    Mantsinen, M. J.; Sharapov, S.; Alper, B.; Gondhalekar, A.; McDonald, D. C.

    2000-12-01

    The question of sawtooth stabilization at very high fast-ion energy contents has been addressed in discharges carried out in the JET tokamak with ion cyclotron resonance frequency (ICRF) heating and varying plasma density, controlled by deuterium gas puffs. In these experiments dramatic differences in the sawtooth behaviour have been observed. When the plasma density ne decreases below a certain threshold, the sawtooth frequency and the crash duration time increase by a factor of five. Since the fast-ion energy content increases with decreasing ne due to the inverse proportionality of the fast-ion slowing-down time on ne, the threshold in ne corresponds to a threshold in the fast-ion energy content. In the present experiments, this threshold is reached when the fast-ion energy contribution to the total plasma diamagnetic energy content becomes larger than 45%. The sawtooth activity with short sawtooth free period is accompanied by MHD activity, with a toroidal mode number n = 1 at frequencies between 55 and 65 kHz. This activity is interpreted as an energetic particle fishbone mode that is resonant with the ICRF-driven fast ions. The experimental results appear to be consistent with the stability diagram for sawtooth and fishbone modes (White 1989 Theory of Tokamak Plasmas (Amsterdam: North-Holland)), exploring the part of the diagram with a very large fast-ion population.

  1. State-selected ion-molecule reactions with Coulomb-crystallized molecular ions in traps

    CERN Document Server

    Tong, Xin; Reyes, Juvenal Yosa; Germann, Matthias; Meuwly, Markus; Willitsch, Stefan

    2012-01-01

    State-selected Coulomb-crystallized molecular ions were employed for the first time in ion-molecule reaction studies using the prototypical charge-transfer process $\\mathrm{N_2^++N_2\\rightarrow N_2+N_2^+}$ as an example. By preparing the reactant ions in a well-defined rovibrational state and localizing them in space by sympathetic cooling to millikelvin temperatures in an ion trap, state- and energy-controlled reaction experiments with sensitivities on the level of single ions were performed. The experimental results were interpreted with quasi-classical trajectory simulations on a six-dimensional potential-energy surface which provided detailed insight into translation-to-rotation energy transfer occurring during charge transfer between N$_2$ and N$_2^+$.

  2. ITER Plasma at Ion Cyclotron Frequency Domain: The Fusion Alpha Particles Diagnostics Based on the Stimulated Raman Scattering of Fast Magnetosonic Wave off High Harmonic Ion Bernstein Modes

    Science.gov (United States)

    Stefan, V. Alexander

    2014-10-01

    A novel method for alpha particle diagnostics is proposed. The theory of stimulated Raman scattering, SRS, of the fast wave and ion Bernstein mode, IBM, turbulence in multi-ion species plasmas, (Stefan University Press, La Jolla, CA, 2008). is utilized for the diagnostics of fast ions, (4)He (+2), in ITER plasmas. Nonlinear Landau damping of the IBM on fast ions near the plasma edge leads to the space-time changes in the turbulence level, (inverse alpha particle channeling). The space-time monitoring of the IBM turbulence via the SRS techniques may prove efficient for the real time study of the fast ion velocity distribution function, spatial distribution, and transport. Supported by Nikola Tesla Labs., La Jolla, CA 92037.

  3. Weak links between fast mobility and local structure in molecular and atomic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Bernini, S. [Dipartimento di Fisica “Enrico Fermi,” Università di Pisa, Largo B. Pontecorvo 3, I-56127 Pisa (Italy); Puosi, F. [Laboratoire de Physique de l’École Normale Supérieure de Lyon, UMR CNRS 5672, 46 allée d’Italie, 69007 Lyon (France); Leporini, D., E-mail: dino.leporini@df.unipi.it [Dipartimento di Fisica “Enrico Fermi,” Università di Pisa, Largo B. Pontecorvo 3, I-56127 Pisa (Italy); IPCF-CNR, UOS Pisa, Pisa (Italy)

    2015-03-28

    We investigate by molecular-dynamics simulations, the fast mobility—the rattling amplitude of the particles temporarily trapped by the cage of the neighbors—in mildly supercooled states of dense molecular (linear trimers) and atomic (binary mixtures) liquids. The mixture particles interact by the Lennard-Jones potential. The non-bonded particles of the molecular system are coupled by the more general Mie potential with variable repulsive and attractive exponents in a range which is a characteristic of small n-alkanes and n-alcohols. Possible links between the fast mobility and the geometry of the cage (size and shape) are searched. The correlations on a per-particle basis are rather weak. Instead, if one groups either the particles in fast-mobility subsets or the cages in geometric subsets, the increase of the fast mobility with both the size and the asphericity of the cage is revealed. The observed correlations are weak and differ in states with equal relaxation time. Local forces between a tagged particle and the first-neighbour shell do not correlate with the fast mobility in the molecular liquid. It is concluded that the cage geometry alone is unable to provide a microscopic interpretation of the known, universal link between the fast mobility and the slow structural relaxation. We suggest that the particle fast dynamics is affected by regions beyond the first neighbours, thus supporting the presence of collective, extended fast modes.

  4. Measurement of a 2D fast-ion velocity distribution function by tomographic inversion of fast-ion D-alpha spectra

    CERN Document Server

    Salewski, Mirko; Jacobsen, Asger Schou; Garcıa-Munoz, Manuel; Heidbrink, Bill; Korsholm, Soren Bang; Leipold, Frank; Madsen, Jens; Moseev, Dmitry; Nielsen, Stefan Kragh; Rasmussen, Jesper; Stejner, Morten; Tardini, Giovanni; Weiland, Markus

    2015-01-01

    We present the first measurement of a local fast-ion 2D velocity distribution function $f(v_\\parallel, v_\\perp)$. To this end, we heated a plasma in ASDEX Upgrade by neutral beam injection and measured spectra of fast-ion D-alpha (FIDA) light from the plasma center in three views simultaneously. The measured spectra agree very well with synthetic spectra calculated from a TRANSP/NUBEAM simulation. Based on the measured FIDA spectra alone, we infer $f(v_\\parallel, v_\\perp)$ by tomographic inversion. Salient features of our measurement of $f(v_\\parallel, v_\\perp)$ agree reasonably well with the simulation: the measured as well as the simulated $f(v_\\parallel, v_\\perp)$ are lopsided towards negative velocities parallel to the magnetic field, and they have similar shapes. Further, the peaks in the simulation of $f(v_\\parallel, v_\\perp)$ at full and half injection energies of the neutral beam also appear in the measurement at similar velocity-space locations. We expect that we can measure spectra in up to seven vi...

  5. Enabling High Fidelity Measurements of Energy and Pitch Angle for Escaping Energetic Ions with a Fast Ion Loss Detector

    Science.gov (United States)

    Chaban, R.; Pace, D. C.; Marcy, G. R.; Taussig, D.

    2016-10-01

    Energetic ion losses must be minimized in burning plasmas to maintain fusion power, and existing tokamaks provide access to energetic ion parameter regimes that are relevant to burning machines. A new Fast Ion Loss Detector (FILD) probe on the DIII-D tokamak has been optimized to resolve beam ion losses across a range of 30 - 90 keV in energy and 40° to 80° in pitch angle, thereby providing valuable measurements during many different experiments. The FILD is a magnetic spectrometer; once inserted into the tokamak, the magnetic field allows energetic ions to pass through a collimating aperture and strike a scintillator plate that is imaged by a wide view camera and narrow view photomultiplier tubes (PMTs). The design involves calculating scintillator strike patterns while varying probe geometry. Calculated scintillator patterns are then used to design an optical system that allows adjustment of the focus regions for the 1 MS/s resolved PMTs. A synthetic diagnostic will be used to determine the energy and pitch angle resolution that can be attained in DIII-D experiments. Work supported in part by US DOE under the Science Undergraduate Laboratory Internship (SULI) program and under DE-FC02-04ER54698.

  6. Gas feeding molecular phosphorous ion source for semiconductor implanters

    Science.gov (United States)

    Gushenets, V. I.; Oks, E. M.; Bugaev, A. S.; Kulevoy, T. V.; Hershcovitch, A.

    2014-02-01

    Phosphorus is a much used dopant in semiconductor technology. Its vapors represent a rather stable tetratomic molecular compound and are produced from one of the most thermodynamically stable allotropic forms of phosphorus—red phosphorus. At vacuum heating temperatures ranging from 325 °C, red phosphorus evaporates solely as P4 molecules (P4/P2 ˜ 2 × 105, P4/P ˜ 1021). It is for this reason that red phosphorus is best suited as a source of polyatomic molecular ion beams. The paper reports on experimental research in the generation of polyatomic phosphorus ion beams with an alternative P vapor source for which a gaseous compound of phosphorus with hydrogen - phosphine - is used. The ion source is equipped with a specially designed dissociator in which phosphine heated to temperatures close to 700 °C decomposes into molecular hydrogen and phosphorus (P4) and then the reaction products are delivered through a vapor line to the discharge chamber. Experimental data are presented reflecting the influence of the discharge parameters and temperature of the dissociator heater on the mass-charge state of the ion beam.

  7. Micro structure processing on plastics by accelerated hydrogen molecular ions

    Science.gov (United States)

    Hayashi, H.; Hayakawa, S.; Nishikawa, H.

    2017-08-01

    A proton has 1836 times the mass of an electron and is the lightest nucleus to be used for accelerator in material modification. We can setup accelerator with the lowest acceleration voltage. It is preferable characteristics of Proton Beam Writer (PBW) for industrial applications. On the contrary ;proton; has the lowest charge among all nuclei and the potential impact to material is lowest. The object of this research is to improve productivity of the PBW for industry application focusing on hydrogen molecular ions. These ions are generated in the same ion source by ionizing hydrogen molecule. There is no specific ion source requested and it is suitable for industrial use. We demonstrated three dimensional (3D) multilevel micro structures on polyester base FPC (Flexible Printed Circuits) using proton, H2+ and H3+. The reactivity of hydrogen molecular ions is much higher than that of proton and coincident with the level of expectation. We can apply this result to make micro devices of 3D multilevel structures on FPC.

  8. Precision Spectroscopy on Single Cold Trapped Molecular Nitrogen Ions

    Science.gov (United States)

    Hegi, Gregor; Najafian, Kaveh; Germann, Matthias; Sergachev, Ilia; Willitsch, Stefan

    2016-06-01

    The ability to precisely control and manipulate single cold trapped particles has enabled spectroscopic studies on narrow transitions of ions at unprecedented levels of precision. This has opened up a wide range of applications, from tests of fundamental physical concepts, e.g., possible time-variations of fundamental constants, to new and improved frequency standards. So far most of these experiments have concentrated on atomic ions. Recently, however, attention has also been focused on molecular species, and molecular nitrogen ions have been identified as promising candidates for testing a possible time-variation of the proton/electron mass ratio. Here, we report progress towards precision-spectroscopic studies on dipole-forbidden vibrational transitions in single trapped N2+ ions. Our approach relies on the state-selective generation of single N2+ ions, subsequent infrared excitation using high intensity, narrow-band quantum-cascade lasers and a quantum-logic scheme for non-destructive state readout. We also characterize processes limiting the state lifetimes in our experiment, which impair the measurement fidelity. P. O. Schmidt et. al., Science 309 (2005), 749. M. Kajita et. al., Phys. Rev. A 89 (2014), 032509 M. Germann , X. Tong, S. Willitsch, Nature Physics 10 (2014), 820. X. Tong, A. Winney, S. Willitsch, Phys. Rev. Lett. 105 (2010), 143001

  9. Characterization of synthetic dyes by comprehensive two-dimensional liquid chromatography combining ion-exchange chromatography and fast ion-pair reversed-phase chromatography.

    Science.gov (United States)

    Pirok, Bob W J; Knip, Jitske; van Bommel, Maarten R; Schoenmakers, Peter J

    2016-03-04

    In the late 19th century, newly invented synthetic dyes rapidly replaced the natural dyes on the market. The characterization of mixtures of these so-called early synthetic dyes is complicated through the occurrence of many impurities and degradation products. Conventional one-dimensional liquid chromatography does not suffice to obtain fingerprints with sufficient resolution and baseline integrity. Comprehensive two-dimensional liquid chromatography (LC×LC) is employed in this study, with ion-exchange chromatography in the first dimension and fast ion-pair liquid chromatography in the second. Retention in the first dimension is largely determined by the number of charges, while the selection of a small ion-pair reagent (tetramethylammonium hydroxide) in the second dimension causes retention to be largely determined by the molecular structure of the dye. As a result, there is a high degree of orthogonality of the two dimensions, similar to the values typically encountered in GC×GC. The proposed LC×LC method shows a theroretical peak capacity of about 2000 in an analysis time of about three hours. Clear, informative fingerprints are obtained that open a way to a more efficient characterization of dyes used in objects of cultural heritage.

  10. Trapping ions from a fast beam in a radio-frequency ion trap: The relaxation of the ion cloud and its resulting column density

    Science.gov (United States)

    Svendsen, Annette; Nielsen, Kristian M. E.; Pedersen, Henrik B.

    2014-06-01

    The relaxation of trapped Cl2- ions and their resulting column density in a multipole radio-frequency (RF) ion trap have been investigated after loading the trap from an initial fast-moving beam exploiting a mechanism described recently [A. Svendsen et al., Phys. Rev. A 87, 043410 (2013), 10.1103/PhysRevA.87.043410] where the injection is mediated through the exchange of energy between ions and the oscillating RF field. The temporal relaxation of the energy distribution of the trapped ion cloud was probed by observing the evolution of the resulting time-of-flight distribution of ions after extraction and fragment mass analysis in a quadrupole mass filter. The ion energy distribution was found to be essentially stationary after ˜20 ms. The resulting column density of trapped ions after relaxation was probed by two-dimensional position-resolved photodissociation of the trapped Cl2- ions. A detailed statistical analysis of the ion column density in the ring-electrode trap is given, and by comparison to the experimental data, a value of the maximum adiabaticity parameter of ηmax≃0.28 is inferred. It is further demonstrated how the present experimental system allows for time-resolved mass spectrometry by probing explicitly the populations of both parent (Cl2-) and daughter (Cl-) ions as a function of time after closing the trap and after laser irradiation. Finally, it is discussed how the setup can be used to obtain absolute photodissociation cross sections via a tomographic method without assumptions on the decay law for the trapped ions.

  11. Studies of the fast ion energy spectra in TJ-II

    Energy Technology Data Exchange (ETDEWEB)

    Bustos, A. [Laboratorio Nacional de Fusion, EURATOM-CIEMAT, 28040 Madrid (Spain); Max-Planck-Institut fur Plasmaphysik, EURATOM Association, 85748 Garching (Germany); Fontdecaba, J. M.; Arevalo, J. [Laboratorio Nacional de Fusion, EURATOM-CIEMAT, 28040 Madrid (Spain); Castejon, F.; Velasco, J. L. [Laboratorio Nacional de Fusion, EURATOM-CIEMAT, 28040 Madrid (Spain); Instituto de Biocomputacion y Fisica de los Sistemas Complejos (BIFI), Universidad de Zaragoza, 50018 Zaragoza (Spain); Tereshchenko, M. [Instituto de Biocomputacion y Fisica de los Sistemas Complejos (BIFI), Universidad de Zaragoza, 50018 Zaragoza (Spain)

    2013-02-15

    The dynamics of the neutral beam injection fast ions in the TJ-II stellarator is studied in this paper from both the theoretical and experimental points of view. The code Integrator of Stochastic Differential Equations for Plasmas (ISDEP) is used to estimate the fast ion distribution function in 3D:1D in real space and 2D in velocity space, considering the 3D structure of TJ-II, the electrostatic potential, non turbulent collisional transport, and charge exchange losses. The results of ISDEP are compared with the experimental data from the compact neutral particle analyzer, which measures the outgoing neutral flux spectra in the energy range E Element-Of (1-45) keV.

  12. Reduction of the U(VI) ion. A fast conductimetry study

    Energy Technology Data Exchange (ETDEWEB)

    Broszkiewicz, R.K. (Institute of Nuclear Chemistry and Technology, Warsaw (Poland)); Vojnovic, B.; Michael, B.D. (Mount Vernon Hospital, Northwood (UK). Gray Lab.)

    1991-01-01

    The reduction of U(VI) by e{sub aq}{sup -} was followed by means of fast conductimetry in acid and conductimetry and spectrophotometry in alkaline solutions. In alkaline solutions, the biomolecular rate constant of reaction between UO{sub 4}{sup 2-} and e{sub aq}{sup -} was determined. Analytical methods applied in this work were too fast to follow the slow disproportionation of produced U(V)-ion, but it has been observed that in alkaline solutions it probably goes via a dimeric ion (U(V)){sub 2}, which protonates with a rate {kappa}{sub 7} = 1.30 x 10{sup 5}s{sup -1}. (author).

  13. Comparison of collective Thomson scattering signals due to fast ions in ITER scenarios with fusion and auxiliary heating

    DEFF Research Database (Denmark)

    Salewski, Mirko; Asunta, O.; Eriksson, L.-G.

    2009-01-01

    to the alpha population in these frequency ranges. The exceptions are limited regions in space with some non-negligible signal due to beam ions or fast He-3 which give rise to about 30% and 10-20% of the CTS signal, respectively. In turn, the dominance of the alpha contribution implies that the effects...... scattering (CTS) signal for the proposed CTS diagnostic in ITER. It is of interest to determine the contributions of these fast ion populations to the CTS signal for large Doppler shifts of the scattered radiation since conclusions can mostly be drawn for the dominant contributor. In this study, distribution...... functions for fast deuterons, fast tritons, fast He-3 and the fusion born alphas are presented, revealing that fusion alphas dominate the measurable signal by an order of magnitude or more in the Doppler shift frequency ranges typical for fast ions. Hence the observable CTS signal can mostly be attributed...

  14. The effect of fasting on the important molecular mechanisms related to cancer treatment

    Directory of Open Access Journals (Sweden)

    Vahideh Keyvani

    2014-11-01

    Full Text Available Fasting does have remarkable benefits in the treatment of cancer and another diseases such as metabolic syndrome, diabetes, and a multitude of other chronic diseases. It has been determined that fasting could play an important role during cancer treatment and progression via the regulation of insulin-like growth factor-1 (IGF-1 as well as other growth factors. Also, it has been shown that fasting would enhance the chemotherapy effect in cancer patients, selectively protects normal cells and organisms from chemotherapy toxicity, while simultaneously sensitizing tumors. In this article, we discuss the benefits of fasting in the treatment of cancer through several different molecular pathways.

  15. Design of fast ion conducting cathode materials for grid-scale sodium-ion batteries.

    Science.gov (United States)

    Wong, Lee Loong; Chen, Haomin; Adams, Stefan

    2017-03-15

    The obvious cost advantage as well as attractive electrochemical properties, including excellent cycling stability and the potential of high rate performance, make sodium-ion batteries prime candidates in the race to technically and commercially enable large-scale electrochemical energy storage. In this work, we apply our bond valence site energy modelling method to further the understanding of rate capabilities of a wide range of potential insertion-type sodium-ion battery cathode materials. We demonstrate how a stretched exponential function permits us to systematically quantify the rate performance, which in turn reveals guidelines for the design of novel sodium-ion battery chemistries suitable for high power, grid-scale applications. Starting from a diffusion relaxation model, we establish a semi-quantitative prediction of the rate-performance of half-cells from the structure of the cathode material that factors in dimensionality of Na(+) ion migration pathways, the height of the migration barriers and the crystallite size of the active material. With the help of selected examples, we also illustrate the respective roles of unoccupied low energy sites within the pathway and temperature towards the overall rate capability of insertion-type cathode materials.

  16. Efficient sympathetic motional ground-state cooling of a molecular ion

    CERN Document Server

    Wan, Yong; Wolf, Fabian; Schmidt, Piet O

    2015-01-01

    Cold molecular ions are promising candidates in various fields ranging from precision spectroscopy and test of fundamental physics to ultra-cold chemistry. Control of internal and external degrees of freedom is a prerequisite for many of these applications. Motional ground state cooling represents the starting point for quantum logic-assisted internal state preparation, detection, and spectroscopy protocols. Robust and fast cooling is crucial to maximize the fraction of time available for the actual experiment. We optimize the cooling rate of ground state cooling schemes for single $^{25}\\mathrm{Mg}^{+}$ ions and sympathetic ground state cooling of $^{24}\\mathrm{MgH}^{+}$. In particular, we show that robust cooling is achieved by combining pulsed Raman sideband cooling with continuous quench cooling. Furthermore, we experimentally demonstrate an efficient strategy for ground state cooling outside the Lamb-Dicke regime.

  17. High-definition velocity-space tomography of fast-ion dynamics

    Science.gov (United States)

    Salewski, M.; Geiger, B.; Jacobsen, A. S.; Hansen, P. C.; Heidbrink, W. W.; Korsholm, S. B.; Leipold, F.; Madsen, J.; Moseev, D.; Nielsen, S. K.; Nocente, M.; Odstrčil, T.; Rasmussen, J.; Stagner, L.; Stejner, M.; Weiland, M.; the ASDEX Upgrade Team

    2016-10-01

    Velocity-space tomography of the fast-ion distribution function in a fusion plasma is usually a photon-starved tomography method due to limited optical access and signal-to-noise ratio of fast-ion D α (FIDA) spectroscopy as well as the strive for high-resolution images. In high-definition tomography, prior information makes up for this lack of data. We restrict the target velocity space through the measured absence of FIDA light, impose phase-space densities to be non-negative, and encode the known geometry of neutral beam injection (NBI) sources. We further use a numerical simulation as prior information to reconstruct where in velocity space the measurements and the simulation disagree. This alternative approach is demonstrated for four-view as well as for two-view FIDA measurements. The high-definition tomography tools allow us to study fast ions in sawtoothing plasmas and the formation of NBI peaks at full, half and one-third energy by time-resolved tomographic movies.

  18. Molecular dynamics simulation of ion transport in a nanochannel

    Institute of Scientific and Technical Information of China (English)

    CHEN Min; CHEN YunFei; ZHONG Wu; YANG JueKuan

    2008-01-01

    A molecular dynamics (MD) model of the fluidic electrokinetic transport in a nano-scale channel with two bulk sinks was presented,and the process of ion transport in the nanochannel was simulated in this paper.The model consists of two water sinks at the two ends and a pump in the middle,which is different from a single pump model in previous MD simulations.Simulation results show that the charged surfaces of the nanochannel result in the depletion of co-ions and the en-richment of counterions in the nanochannel.A stable current is induced because of the motion of ions when an external electric field is applied across the nanochannel,and the current in the pump region is mainly induced by the motion of counterions.In addition,the ion number in the pump region rapidly decreases as the external electric field is applied.In the equilibrated system,the electrically neutral character in the pump region is destroyed and this region displays a certain electrical char-acter,which depends on the surface charge.The ion distribution is greatly different from the results predicted by the continuum theory,e.g.a smaller peak value of Na+ concentration appears near the wall.The transport efficiency of counterions (co-ions) can be effectively increased (decreased) by increasing the surface charge density.The simulation results demonstrate that the ion distribution in the electric double layer (EDL) of a nanochannel cannot be exactly described by the classical Gouy-Chapman-Stern (GCS) theory model.The mechanism of some special ex-perimental phenomena in a nanochannel and the effect of the surface charge den-sity on the ion-transport efficiency were also explored to provide some theoretical insights for the design and application of nano-scale fluidic pumps.

  19. Molecular dynamics simulation of ion transport in a nanochannel

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    A molecular dynamics (MD) model of the fluidic electrokinetic transport in a nano-scale channel with two bulk sinks was presented, and the process of ion transport in the nanochannel was simulated in this paper. The model consists of two water sinks at the two ends and a pump in the middle, which is different from a single pump model in previous MD simulations. Simulation results show that the charged surfaces of the nanochannel result in the depletion of co-ions and the enrichment of counterions in the nanochannel. A stable current is induced because of the motion of ions when an external electric field is applied across the nanochannel, and the current in the pump region is mainly induced by the motion of counterions. In addition, the ion number in the pump region rapidly decreases as the external electric field is applied. In the equilibrated system, the electrically neutral character in the pump region is destroyed and this region displays a certain electrical character, which depends on the surface charge. The ion distribution is greatly different from the results predicted by the continuum theory, e.g. a smaller peak value of Na+ concentration appears near the wall. The transport efficiency of counterions (co-ions) can be effectively increased (decreased) by increasing the surface charge density. The simulation results demonstrate that the ion distribution in the electric double layer (EDL) of a nanochannel cannot be exactly described by the classical Gouy-Chapman-Stern (GCS) theory model. The mechanism of some special experimental phenomena in a nanochannel and the effect of the surface charge density on the ion-transport efficiency were also explored to provide some theoretical insights for the design and application of nano-scale fluidic pumps.

  20. Ion-Pair States in Triplet Molecular Hydrogen

    Science.gov (United States)

    Setzer, W.; Baker, B. C.; Ashman, S.; Morgan, T. J.

    2016-05-01

    An experimental search is underway to observe the long range triplet ionic states H+ H- of molecular hydrogen. Resonantly enhanced multi-photon ionization of the metastable c 3∏u- 2 pπ state is used access to the R(1)nd1 n = 21 Rydberg state that serves as an intermediate stepping stone state to probe the energy region above the ionization limit with a second tunable laser photon. The metastable state is prepared by electron capture of 6 keV H2+ions in potassium in a molecular beam. Formation of the H+ H- triplet configuration involves triplet excited states of the H- ion, especially the 2p23Pe state, the second bound state of H- predicted to exist with a lifetime long compared to typical auto ionization lifetimes but not yet observed experimentally. Details of the experiment and preliminary results to date will be presented at the conference.

  1. Photodetachment of a Negative Hydrogen Molecular Ion near an Interface

    Institute of Scientific and Technical Information of China (English)

    WANG Pe-Hua

    2007-01-01

    Photodetachment of a negative hydrogen molecular ion near an interface is studied by using the two-centre model and the closed orbit theory. The calculation results show that the photodetachment cross section is related to the distance between the two centres in the H-2 and different molecular ion-interface distances. The comparison between the cross section of H-2 near an interface with the section of H- shows that at the equilibrium distance of two centres and at low photon energy, the photodetachment cross section of H-2 is about twice the cross section of H-, which shows that the interference of the two nuclei is very strong; when the distance between the two centres is large, the section of H-2 is almost the same as the cross section of H- near one interface, which indicates that the interference effect of the two centres vanishes.

  2. Molecular ions of ionic liquids in the gas phase.

    Science.gov (United States)

    Gross, Jürgen H

    2008-09-01

    Ionic liquids form neutral ion pairs (CA) upon evaporation. The softness of the gas-phase ionization of field ionization has been used to generate "molecular ions," CA(+*), of ionic liquids, most probably by neutralization of the anion. In detail, 1-ethyl-3-methylimidazolium-thiocyanate, [C(6)H(11)N(2)](+) [SCN](-), 1-butyl-3-methylimidazolium-tricyanomethide, [C(8)H(15)N(2)](+) [C(4)N(3)](-), N-butyl-3-methylpyridinium-dicyanamide, [C(10)H(16)N](+) [C(2)N(3)](-), and 1-butyl-1-methylpyrrolidinium-bis[(trifluormethyl)sulfonyl]amide, [C(9)H(20)N](+) [C(2)F(6)NO(4)S(2)](-) were used. The assignment as CA(+*) ions, which has been confirmed by accurate mass measurements and misassignments due to thermal decomposition of the ionic liquids, has been ruled out by field desorption and electrospray ionization mass spectrometry of the residues.

  3. Sympathetic cooling of molecular ion motion to the ground state

    CERN Document Server

    Rugango, Rene; Dixon, Thomas H; Gray, John M; Khanyile, Ncamiso; Shu, Gang; Clark, Robert J; Brown, Kenneth R

    2014-01-01

    We demonstrate sympathetic sideband cooling of a $^{40}$CaH$^{+}$ molecular ion co-trapped with a $^{40}$Ca$^{+}$ atomic ion in a linear Paul trap. Both axial modes of the two-ion chain are simultaneously cooled to near the ground state of motion. The center of mass mode is cooled to an average quanta of harmonic motion $\\overline{n}_{\\mathrm{COM}} = 0.13 \\pm 0.03$, corresponding to a temperature of $12.47 \\pm 0.03 ~\\mu$K. The breathing mode is cooled to $\\overline{n}_{\\mathrm{BM}} = 0.05 \\pm 0.02$, corresponding to a temperature of $15.36 \\pm 0.01~\\mu$K.

  4. Rotational Laser Cooling of Vibrationally and Translationally Cold Molecular Ions

    DEFF Research Database (Denmark)

    Drewsen, Michael

    2011-01-01

    by sympathetic cooling with Doppler laser cooled Mg+ ions. Giving the time for the molecules to equilibrate internally to the room temperature blackbody radiation, the vibrational degree of freedom will freeze out, leaving only the rotational degree of freedom to be cooled. We report here on the implementation...... of a new technique for laser-induced rotational ground-state cooling of vibrationally and translationally cold MgH+ ions [10]. The scheme is based on excitation of a single rovibrational transition [11], and it should be generalizable to any diatomic polar molecular ion, given appropriate mid......-infrared laser sources such as a quantum cascade laser are available. In recent experiments, a nearly 15-fold increase in the rotational ground-state population was obtained, with the resulting ground-state population of 36,7±1,2 %, equivalent to that of a thermal distribution at about 20 K. The obtained cooling...

  5. Electron collisions and internal excitation in stored molecular ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Buhr, H.

    2006-07-26

    In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He{sup +}{sub 2}. The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He{sup +}{sub 2}, which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD{sup +} is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

  6. Influence of salt ions on binding to molecularly imprinted polymers.

    Science.gov (United States)

    Kempe, Henrik; Kempe, Maria

    2010-02-01

    Salt ions were found to have an influence on template binding to two model molecularly imprinted polymers (MIPs), targeted to penicillin G and propranolol, respectively, in water-acetonitrile mixtures. Water was detrimental to rebinding of penicillin G whereas propranolol bound in the entire water-acetonitrile range tested. In 100% aqueous solution, 3-M salt solutions augmented the binding of both templates. The effects followed the Hofmeister series with kosmotropic ions promoting the largest increase. Binding was mainly of a non-specific nature under these conditions. In acetonitrile containing low amounts of water, the specific binding to the MIPs increased with the addition of salts. Binding of penicillin G followed the Hofmeister series while an ion-exchange mechanism was observed for propranolol. The results suggest that hydration of kosmotropic ions reduces the water activity in water-poor media providing a stabilizing effect on water-sensitive MIP-template interactions. The effects were utilized to develop a procedure for molecularly imprinted solid-phase extraction (MISPE) of penicillin G from milk with a recovery of 87%.

  7. MULTIPLE FAST MOLECULAR OUTFLOWS IN THE PRE-PLANETARY NEBULA CRL 618

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chin-Fei; Huang, Po-Sheng [Academia Sinica Institute of Astronomy and Astrophysics, P.O. Box 23-141, Taipei 106, Taiwan (China); Sahai, Raghvendra [Jet Propulsion Laboratory, MS 183-900, California Institute of Technology, Pasadena, CA 91109 (United States); Sánchez Contreras, Carmen [Astrobiology Center (CSIC-INTA), ESAC Campus, E-28691 Villanueva de la Canada, Madrid (Spain); Tay, Jeremy Jian Hao [Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore)

    2013-11-01

    CRL 618 is a well-studied pre-planetary nebula. It has multiple highly collimated optical lobes, fast molecular outflows along the optical lobes, and an extended molecular envelope that consists of a dense torus in the equator and a tenuous round halo. Here we present our observations of this source in CO J = 3-2 and HCN J = 4-3 obtained with the Submillimeter Array at up to ∼0.''3 resolutions. We spatially resolve the fast molecular outflow region previously detected in CO near the central star and find it to be composed of multiple outflows that have similar dynamical ages and are oriented along the different optical lobes. We also detect fast molecular outflows further away from the central star near the tips of the extended optical lobes and a pair of equatorial outflows inside the dense torus. We find that two episodes of bullet ejections in different directions are needed, one producing the fast molecular outflows near the central star and one producing the fast molecular outflows near the tips of the extended optical lobes. One possibility to launch these bullets is a magneto-rotational explosion of the stellar envelope.

  8. A controllable molecular sieve for Na+ and K+ ions.

    Science.gov (United States)

    Gong, Xiaojing; Li, Jichen; Xu, Ke; Wang, Jianfeng; Yang, Hui

    2010-02-17

    The selective rate of specific ion transport across nanoporous material is critical to biological and nanofluidic systems. Molecular sieves for ions can be achieved by steric and electrical effects. However, the radii of Na(+) and K(+) are quite similar; they both carry a positive charge, making them difficult to separate. Biological ionic channels contain precisely arranged arrays of amino acids that can efficiently recognize and guide the passage of K(+) or Na(+) across the cell membrane. However, the design of inorganic channels with novel recognition mechanisms that control the ionic selectivity remains a challenge. We present here a design for a controllable ion-selective nanopore (molecular sieve) based on a single-walled carbon nanotube with specially arranged carbonyl oxygen atoms modified inside the nanopore, which was inspired by the structure of potassium channels in membrane spanning proteins (e.g., KcsA). Our molecular dynamics simulations show that the remarkable selectivity is attributed to the hydration structure of Na(+) or K(+) confined in the nanochannels, which can be precisely tuned by different patterns of the carbonyl oxygen atoms. The results also suggest that a confined environment plays a dominant role in the selectivity process. These studies provide a better understanding of the mechanism of ionic selectivity in the KcsA channel and possible technical applications in nanotechnology and biotechnology, including serving as a laboratory-in-nanotube for special chemical interactions and as a high-efficiency nanodevice for purification or desalination of sea and brackish water.

  9. Dual Ion Spectrometers and Their Calibration for the Fast Plasma Investigation on NASA's Magnetospheric Multiscale Mission

    Science.gov (United States)

    Coffey, V. N.; Chandler, M. O.

    2017-01-01

    The scientific target of NASA's Magnetospheric Multiscale (MMS) mission is to study the fundamentally important phenomenon of magnetic reconnection. Theoretical models of this process predict a small size, on the order of hundred kilometers, for the ion diffusion region where ions are demagnetized at the dayside magnetopause. This region may typically sweep over the spacecraft at relatively high speeds of 50 km/s, requiring the fast plasma investigation (FPI) instrument suite to have an extremely high time resolution for measurements of the 3D particle distribution functions. As part of the FPI on MMS, the 16 dual ion spectrometers (DIS) will provide fast (150 ms) 3D ion velocity distributions, from 10 to 30,000 eV/q, by combining the measurements from four dual spectrometers on each of four MMS spacecraft. For any multispacecraft mission, the response uniformity among the spectrometer set assumes an enhanced importance. Due to these demanding instrument requirements and the effort of calibrating more than 32 sensors (16 × 2) within a tight schedule, a highly systematic and precise calibration was required for measurement repeatability. To illustrate how this challenge was met, a brief overview of the FPI DIS was presented with a detailed discussion of the calibration method of approach and implementation. Finally, a discussion of DIS performance results, their unit-to-unit variation, and the lessons learned from this calibration effort are presented.

  10. Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd2Ti2O7

    Science.gov (United States)

    Aidhy, Dilpuneet S.; Sachan, Ritesh; Zarkadoula, Eva; Pakarinen, Olli; Chisholm, Matthew F.; Zhang, Yanwen; Weber, William J.

    2015-11-01

    The structure and ion-conducting properties of the defect-fluorite ring structure formed around amorphous ion-tracks by swift heavy ion irradiation of Gd2Ti2O7 pyrochlore are investigated. High angle annular dark field imaging complemented with ion-track molecular dynamics simulations show that the atoms in the ring structure are disordered, and have relatively larger cation-cation interspacing than in the bulk pyrochlore, illustrating the presence of tensile strain in the ring region. Density functional theory calculations show that the non-equilibrium defect-fluorite structure can be stabilized by tensile strain. The pyrochlore to defect-fluorite structure transformation in the ring region is predicted to be induced by recrystallization during a melt-quench process and stabilized by tensile strain. Static pair-potential calculations show that planar tensile strain lowers oxygen vacancy migration barriers in pyrochlores, in agreement with recent studies on fluorite and perovskite materials. In view of these results, it is suggested that strain engineering could be simultaneously used to stabilize the defect-fluorite structure and gain control over its high ion-conducting properties.

  11. Fast Electron Repulsion Integrals for Molecular Coulomb Sturmians

    DEFF Research Database (Denmark)

    Avery, James Emil

    2013-01-01

    of hyperspherical harmonics. A rudimentary software library has been implemented and preliminary benchmarks indicate very good performance: On average 40 ns, or approximately 80 clock cycles, per electron repulsion integral. This makes molecular Coulomb Sturmians competitive with Gaussian type orbitals in terms...

  12. Imaging ion and molecular transport at subcellular resolution by secondary ion mass spectrometry

    Science.gov (United States)

    Chandra, Subhash; Morrison, George H.

    1995-05-01

    The transport of K+, Na+, and Ca2+ were imaged in individual cells with a Cameca IMS-3f ion microscope. Strict cryogenic frozen freeze-dry sample preparations were employed. Ion redistribution artifacts in conventional chemical preparations are discussed. Cryogenically prepared freeze-fractured freeze-dried cultured cells allowed the three-dimensional ion microscopic imaging of elements. As smaller structures in calcium images can be resolved with the 0.5 [mu]m spatial resolution, correlative techniques are needed to confirm their identity. The potentials of reflected light microscopy, scanning electron microscopy and laser scanning confocal microscopy are discussed for microfeature recognition in freeze-fractured freeze-dried cells. The feasibility of using frozen freeze-dried cells for imaging molecular transport at subcellular resolution was tested. Ion microscopy successfully imaged the transport of the isotopically tagged (13C, 15N) amino acid, -arginine. The labeled amino acid was imaged at mass 28 with a Cs+ primary ion beam as the 28(13C15N)- species. After a 4 h exposure of LLC-PK1 kidney cells to 4 mM labeled arginine, the amino acid was localized throughout the cell with a preferential incorporation into the nucleus and nucleolus. An example is also shown of the ion microscopic imaging of sodium borocaptate, an experimental therapeutic drug for brain tumors, in cryogenically prepared frozen freeze-dried Swiss 3T3 cells.

  13. Understanding Molecular-Ion Neutral Atom Collisions for the Production of Ultracold Molecular Ions

    Science.gov (United States)

    2014-02-03

    the center of the vacuum chamber, denoted by the blue arrow, is 40Ca magneto - optical trap (MOT) co- located with a linear quadrupole radio- frequency...ion trap (LQT) system. The 40Ca MOT laser beams (blue) are evidenced by scattered light from the optics . The necessary computer and laser controls...cold molecules ,” Nature 495, 490 (2012)]. Construction of the next generation MOTION trap : Using what was learned in the sympatehtic cooling

  14. ITER fast ion collective Thomson scattering, conceptual design of 60 GHz system

    Energy Technology Data Exchange (ETDEWEB)

    Meo, F.; Bindslev, H.; Korsholm, S.B.

    2007-08-15

    The collective Thomson scattering diagnostic for ITER at the 60 GHz range is capable of measuring the fast ion distribution parallel and perpendicular to the magnetic field at different radial locations simultaneously. The design is robust technologically with no moveable components near the plasma. The fast ion CTS diagnostic consists of two separate systems. Each system has its own RF launcher and separate set of detectors. The first system measures the perpendicular component of the fast ion velocity distribution. It consists of radially directed RF launcher and receiver, both located in the equatorial port on the low field side (LFS). This system will be referred to by the acronym LFS-BS system referring to the location of the receiver and the fact that it measures backscattered radiation. The second part of the CTS diagnostic measures the parallel component of the fast ion distribution. It consists of an RF launcher located in the mid-plane port on the LFS and a receiver mounted on the inner vacuum vessel wall that views the plasma from between two blanket modules. This system will be referred to as HFS-FS referring to the location of the receivers and that they measure forward scattered radiation. The design of both LFS-BS and HFS-FS receivers is aimed at measuring at different spatial locations simultaneously with no moveable components near the plasma. This report is a preliminary study of the hardware design and engineering constraints for this frequency range. Section 2 conceptually describes the two systems and their main components. Section 3 clarifies the impact of design parameters such as beam widths and scattering angle on the CTS measurements. With this in hand, the ITER measurement requirements are translated into constraints on the CTS system designs. An important result in this section is that systems can be designed inside these constraints. Section 4 outlines the technical feasibility and describes in more detail the design and the engineering

  15. LSP simulations of fast ions slowing down in cool magnetized plasma

    Science.gov (United States)

    Evans, Eugene S.; Cohen, Samuel A.

    2015-11-01

    In MFE devices, rapid transport of fusion products, e.g., tritons and alpha particles, from the plasma core into the scrape-off layer (SOL) could perform the dual roles of energy and ash removal. Through these two processes in the SOL, the fast particle slowing-down time will have a major effect on the energy balance of a fusion reactor and its neutron emissions, topics of great importance. In small field-reversed configuration (FRC) devices, the first-orbit trajectories of most fusion products will traverse the SOL, potentially allowing those particles to deposit their energy in the SOL and eventually be exhausted along the open field lines. However, the dynamics of the fast-ion energy loss processes under conditions expected in the FRC SOL, where the Debye length is greater than the electron gyroradius, are not fully understood. What modifications to the classical slowing down rate are necessary? Will instabilities accelerate the energy loss? We use LSP, a 3D PIC code, to examine the effects of SOL plasma parameters (density, temperature and background magnetic field strength) on the slowing down time of fast ions in a cool plasma with parameters similar to those expected in the SOL of small FRC reactors. This work supported by DOE contract DE-AC02-09CH11466.

  16. Antenna design for fast ion collective Thomson scattering diagnostic for the international thermonuclear experimental reactor.

    Science.gov (United States)

    Leipold, F; Furtula, V; Salewski, M; Bindslev, H; Korsholm, S B; Meo, F; Michelsen, P K; Moseev, D; Nielsen, S K; Stejner, M

    2009-09-01

    Fast ion physics will play an important role for the international thermonuclear experimental reactor (ITER), where confined alpha particles will affect and be affected by plasma dynamics and thereby have impacts on the overall confinement. A fast ion collective Thomson scattering (CTS) diagnostic using gyrotrons operated at 60 GHz will meet the requirements for spatially and temporally resolved measurements of the velocity distributions of confined fast alphas in ITER by evaluating the scattered radiation (CTS signal). While a receiver antenna on the low field side of the tokamak, resolving near perpendicular (to the magnetic field) velocity components, has been enabled, an additional antenna on the high field side (HFS) would enable measurements of near parallel (to the magnetic field) velocity components. A compact design solution for the proposed mirror system on the HFS is presented. The HFS CTS antenna is located behind the blankets and views the plasma through the gap between two blanket modules. The viewing gap has been modified to dimensions 30x500 mm(2) to optimize the CTS signal. A 1:1 mock-up of the HFS mirror system was built. Measurements of the beam characteristics for millimeter-waves at 60 GHz used in the mock-up agree well with the modeling.

  17. Simulation of fast-ion-driven Alfvén eigenmodes on the Experimental Advanced Superconducting Tokamak

    Science.gov (United States)

    Hu, Youjun; Todo, Y.; Pei, Youbin; Li, Guoqiang; Qian, Jinping; Xiang, Nong; Zhou, Deng; Ren, Qilong; Huang, Juan; Xu, Liqing

    2016-02-01

    Kinetic-MHD hybrid simulations are carried out to investigate possible fast-ion-driven modes on the Experimental Advanced Superconducting Tokamak. Three typical kinds of fast-ion-driven modes, namely, toroidicity-induced Alfvén eigenmodes, reversed shear Alfvén eigenmodes, and energetic-particle continuum modes, are observed simultaneously in the simulations. The simulation results are compared with the results of an ideal MHD eigenvalue code, which shows agreement with respect to the mode frequency, dominant poloidal mode numbers, and radial location. However, the modes in the hybrid simulations take a twisted structure on the poloidal plane, which is different from the results of the ideal MHD eigenvalue code. The twist is due to the radial phase variation of the eigenfunction, which may be attributed to the non-perturbative kinetic effects of the fast ions. By varying the stored energy of fast ions to change the fast ion drive in the simulations, it is demonstrated that the twist (i.e., the radial phase variation) is positively correlated with the fast ion drive.

  18. Fast Ion Effects During Test Blanket Module Simulation Experiments in DIII-D

    Energy Technology Data Exchange (ETDEWEB)

    Kramer, G J; Ellis, R; Gorelenkova, M; Heidbrink, W W; Kurki-Suonio, T; Nazikian, R; Salmi, A; Schaffer, M J; Shinohara, K; Snipes, J A; Spong, D A; Koskela, T

    2011-06-03

    Fast beam-ion losses were studied in DIII-D in the presence of a scaled mockup of two Test Blanket Modules (TBM) for ITER. Heating of the protective tiles on the front of the TBM surface was found when neutral beams were injected and the TBM fields were engaged. The fast-ion core confinement was not significantly affected. Different orbit-following codes predict the formation of a hot spot on the TBM surface arising from beam-ions deposited near the edge of the plasma. The codes are in good agreement with each other on the total power deposited at the hot spot predicting an increase in power with decreasing separation between the plasma edge and the TBM surface. A thermal analysis of the heat flow through the tiles shows that the simulated power can account for the measured tile temperature rise. The thermal analysis, however, is very sensitive to the details of the localization of the hot spot which is predicted to be different among the various codes.

  19. Fast-ion effects during test blanket module simulation experiments in DIII-D

    Energy Technology Data Exchange (ETDEWEB)

    Kramer, G. [Princeton Plasma Physics Laboratory (PPPL); Budny, R. V. [Princeton Plasma Physics Laboratory (PPPL); Ellis, R. [Princeton Plasma Physics Laboratory (PPPL); Gorelenkova, M. [Princeton Plasma Physics Laboratory (PPPL); Heidbrink, W. [University of California, Irvine; Kurki-Suonio, T. [Aalto University, Finland; Nazikian, Raffi [Princeton Plasma Physics Laboratory (PPPL); Saimi, A. [Aalto University, Finland; Schaffer, M. J. [General Atomics, San Diego; Shinohara, K. [Japan Atomic Energy Agency (JAEA), Naka; Snipes, J. A. [ITER Organization, Cadarache, France; Spong, Donald A [ORNL; Koskela, T. [Aalto University, Finland; Van Zeeland, Michael [General Atomics

    2011-01-01

    Fast beam-ion losses were studied in DIII-D in the presence of a scaled mock-up of two test blanket modules (TBM) for ITER. Heating of the protective tiles on the front of the TBM surface was found when neutral beams were injected and the TBM fields were engaged. The fast-ion core confinement was not significantly affected. Different orbit-following codes predict the formation of a hot spot on the TBM surface arising from beam ions deposited near the edge of the plasma. The codes are in good agreement with each other on the total power deposited at the hot spot, predicting an increase in power with decreasing separation between the plasma edge and the TBM surface. A thermal analysis of the heat flow through the tiles shows that the simulated power can account for the measured tile temperature rise. The thermal analysis, however, is very sensitive to the details of the localization of the hot spot, which is predicted to be different among the various codes.

  20. Structural and fast ion transport properties of glassy and amorphous materials

    Energy Technology Data Exchange (ETDEWEB)

    Whitmore, D.H.; Georgopoulos, P.

    1989-11-01

    This research has dealt with ionic conductivity in two classes of electrolytes. Solid inorganic, as well as polymer. In the former case, a structural characterization study of the fast Ag{sup +} ion conducting glassy electrolyte Ag{sub 0.25}Ge{sub 0.19}Se{sub 0.56} was undertaken by means of differential anomalous x-ray scattering techniques. The Ag{sup +} ion transport behavior was probed with the aid of complex impedance spectroscopy and pulsed field gradient NMR measurements of the Ag{sup +} ion diffusivity. We found evidence suggesting that short (3.1--3.5 A) Ag-Ag distances are present. The observed prefactor for conductivity suggests that the number of mobile Ag{sup +} ions in this glass is significantly less than expected from its stoichiometry. The transport property results were examined in the light of our structural findings and analyses were attempted in terms of some reasonable microscopic models. The other major aspect of this research, dealing with amorphous poly(ethylene glycol)-LiCF{sub 3}SO{sub 3} electrolytes, involved measurements, via the pulsed field gradient NMR method, of the diffusivity of the polymer host, the cation (Li{sup +}) and the anion (CF{sub 3}SO{sub 3}{sup -}) in these complexes and the ionic conductivity, via complex impedance spectroscopy. Based on the conductivity prefactors, it appears that these amorphous polymer electrolytes exhibit classical Meyer-Nelder behavior; moreover, our ion transport results could be rationalized in terms of an ion association model (involving ion pairs and higher order aggregates).

  1. Ionic fragmentation channels in electron collisions of small molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Hoffmann, Jens

    2009-01-28

    Dissociative Recombination (DR) is one of the most important loss processes of molecular ions in the interstellar medium (IM). Ion storage rings allow to investigate these processes under realistic conditions. At the Heidelberg test storage ring TSR a new detector system was installed within the present work in order to study the DR sub-process of ion pair formation (IPF). The new detector expands the existing electron target setup by the possibility to measure strongly deflected negative ionic fragments. At the TSR such measurements can be performed with a uniquely high energy resolution by independently merging two electron beams with the ion beam. In this work IPF of HD{sup +}, H{sub 3}{sup +} and HF{sup +} has been studied. In the case of HD{sup +} the result of the high resolution experiment shows quantum interferences. Analysis of the quantum oscillations leads to a new understanding of the reaction dynamics. For H{sub 3}{sup +} it was for the first time possible to distinguish different IPF channels and to detect quantum interferences in the data. Finally the IPF of HF{sup +} was investigated in an energy range, where in previous experiments no conclusive results could be obtained. (orig.)

  2. Ion acceleration by petawatt class laser pulses and pellet compression in a fast ignition scenario

    Energy Technology Data Exchange (ETDEWEB)

    Benedetti, C. [Dipartimento di Fisica, Universita di Bologna, INFN sezione di Bologna (Italy)], E-mail: benedetti@bo.infn.it; Londrillo, P. [Dipartimento di Astronomia, Universita di Bologna, INAF sezione di Bologna, INFN sezione di Bologna (Italy); Liseykina, T.V. [Institute for Computational Technologies, SD-RAS, Novosibirsk (Russian Federation); Max-Planck-Institute for Nuclear Physics, Heidelberg (Germany); Macchi, A. [polyLAB, CNR-INFM, Pisa (Italy); Sgattoni, A.; Turchetti, G. [Dipartimento di Fisica, Universita di Bologna, INFN sezione di Bologna (Italy)

    2009-07-11

    Ion drivers based on standard acceleration techniques have faced up to now several difficulties. We consider here a conceptual alternative to more standard schemes, such as HIDIF (Heavy Ion Driven Inertial Fusion), which are still beyond the present state of the art of particle accelerators, even though the requirements on the total beam energy are lowered by fast ignition scenarios. The new generation of petawatt class lasers open new possibilities: acceleration of electrons or protons for the fast ignition and eventually light or heavy ions acceleration for compression. The pulses of chirped pulse amplification (CPA) lasers allow ions acceleration with very high efficiency at reachable intensities (I{approx}10{sup 21}W/cm{sup 2}), if circularly polarized light is used since we enter in the radiation pressure acceleration (RPA) regime. We analyze the possibility of accelerating carbon ion bunches by interaction of a circularly polarized pulses with an ultra-thin target. The advantage would be compactness and modularity, due to identical accelerating units. The laser efficiency required to have an acceptable net gain in the inertial fusion process is still far from the presently achievable values both for CPA short pulses and for long pulses used for direct illumination. Conversely the energy conversion efficiency from the laser pulse to the ion bunch is high and grows with the intensity. As a consequence the energy loss is not the major concern. For a preliminary investigation of the ions bunch production we have used the PIC code ALaDyn developed to analyze the results of the INFN-CNR PLASMONX experiment at Frascati National Laboratories (Rome, Italy) where the 0.3 PW laser FLAME will accelerate electrons and protons. We present the results of some 1D simulations and parametric scan concerning the acceleration of carbon ions that we suppose to be fully ionized. Circularly polarized laser pulses of 50 J and 50-100 fs duration, illuminating a 100{mu}m{sup 2} area

  3. Molecular Mechanism of Ion-Ion and Ion-Substrate Coupling in the Na+-Dependent Leucine Transporter LeuT

    OpenAIRE

    Caplan, David A.; Subbotina, Julia O.; Noskov, Sergei Yu.

    2008-01-01

    Ion-coupled transport of neurotransmitter molecules by neurotransmitter:sodium symporters (NSS) play an important role in the regulation of neuronal signaling. One of the major events in the transport cycle is ion-substrate coupling and formation of the high-affinity occluded state with bound ions and substrate. Molecular mechanisms of ion-substrate coupling and the corresponding ion-substrate stoichiometry in NSS transporters has yet to be understood. The recent determination of a high-resol...

  4. Metal salts for molecular ion yield enhancement in organic secondary ion mass spectrometry: a critical assessment.

    Science.gov (United States)

    Delcorte, A; Bertrand, P

    2005-04-01

    In a search for molecular ion signal enhancement in organic SIMS, the efficiency of a series of organic and inorganic salts for molecular cationization has been tested using a panel of nonvolatile molecules with very different chemical characteristics (leucine enkephalin, Irganox 1010, tetraphenylnaphthalene, polystyrene). The compounds used for cationization include alkali bromide and group Ib metal salts (XBr with X = Li, Na, K; CF3CO2Ag; AgNO3; [CH3COCH=C(O-)CH3]2Cu; AuCl3). Alkali ions, very good for polar molecule cationization, prove to be of limited interest for nonpolar molecules such as polystyrene. Silver trifluoroacetate displays excellent results for all the considered molecules, except for leucine enkephalin (which might be due to the use of different solvents for the analyte and the salt). Instead, silver nitrate mixed with leucine enkephalin in an ethanol solution provides intense molecular signals. The influence of the respective concentrations of analyte and salt in solution, of the silver trifluoroacetate solution stability, and of the sample microstructure on the secondary ion intensities are also investigated. The results of other combinations of analyte and salts are reported. Finally, the use of salts is critically compared to other sample preparation procedures previously proposed for SIMS analysis of large organic molecules.

  5. Influence of resonant magnetic perturbations on transient heat load deposition and fast ion losses

    Energy Technology Data Exchange (ETDEWEB)

    Rack, Michael Thomas

    2014-07-11

    Thermonuclear fusion is the energy conversion process which keeps the sun shining. For the last six decades, researchers have been investigating the physics involved in order to enable the usage of this energy supply on Earth. The most promising candidates for fusion power plants are based on magnetic confinement of plasma to provide the ideal conditions for efficient thermonuclear fusion in well controlled surroundings. One important aspect is the control of instabilities that occur in the edge region of the plasma and lead to an ejection of huge amounts of energy. Magnetic perturbation fields which are resonant in the plasma edge are found to modify the plasma favourably and reduce the impact of these instabilities. This dissertation focuses on the effects of resonant magnetic perturbation fields on the ejected energy as well as on the drawbacks of these perturbation fields. The transient energy ejection which is triggered by the instabilities causes extreme heat loads on the wall components in fusion devices. Therefore, it is crucial to understand how resonant magnetic perturbation fields affect the heat load deposition. Furthermore, the impact of resonant magnetic perturbation fields on the confinement of fast ions is an important aspect as fast ions are still required to be well confined in order to avoid additional wall loads and increase the fusion efficiency. Recent upgrades on the Joint European Torus allow for a detailed study of the heat load deposition profiles caused by transient events. Throughout this work, the new features are used for the study of the modifications of the transient heat load depositions that occur if resonant magnetic perturbation fields are applied. This leads to a further understanding of the processes involved during the plasma edge instabilities. Additionally, an alternative method using lower hybrid waves for applying resonant magnetic perturbations is investigated. Furthermore, a new diagnostic, capable of detecting fast ion

  6. Fast dose analysis of movement effects during treatments with scanned proton and carbon-ion beams

    Science.gov (United States)

    Vignati, A.; Varasteh Anvar, M.; Giordanengo, S.; Monaco, V.; Attili, A.; Donetti, M.; Marchetto, F.; Mas Milian, F.; Ciocca, M.; Russo, G.; Sacchi, R.; Cirio, R.

    2017-01-01

    Charged particle therapy delivered using scanned pencil beams shows the potential to produce better dose conformity than conventional radiotherapy, although the dose distributions are more sensitive to anatomical changes and patient motion. Therefore, the introduction of engines to monitor the dose as it is being delivered is highly desirable, in order to enhance the development of adaptive treatment techniques in hadrontherapy. A tool for fast dose distributions analysis is presented, which integrates on GPU a Fast Forward Planning, a Fast Image Deformation algorithm, a fast computation of Gamma-Index and Dose-Volume Histogram. The tool is being interfaced with the Dose Delivery System and the Optical Tracking System of a synchrotron-based facility to investigate the feasibility to quantify, spill by spill, the effects of organ movements on dose distributions during treatment deliveries with protons and carbon-ions. The dose calculation and comparison times for a patient treated with protons on a 61.3 cm3 planning target volume, a CT matrix of 512x512x125 voxels, and a computation matrix of 170x170x125 voxels are within 1 s per spill. In terms of accuracy, the absolute dose differences compared with benchmarked Treatment Planning System results are negligible (<10-4 Gy).

  7. Potential of ion cyclotron resonance frequency current drive via fast waves in DEMO

    Science.gov (United States)

    Kazakov, Ye O.; Van Eester, D.; Wauters, T.; Lerche, E.; Ongena, J.

    2015-02-01

    For the continuous operation of future tokamak-reactors like DEMO, non-inductively driven toroidal plasma current is needed. Bootstrap current, due to the pressure gradient, and current driven by auxiliary heating systems are currently considered as the two main options. This paper addresses the current drive (CD) potential of the ion cyclotron resonance frequency (ICRF) heating system in DEMO-like plasmas. Fast wave CD scenarios are evaluated for both the standard midplane launch and an alternative case of exciting the waves from the top of the machine. Optimal ICRF frequencies and parallel wave numbers are identified to maximize the CD efficiency. Limitations of the high frequency ICRF CD operation are discussed. A simplified analytical method to estimate the fast wave CD efficiency is presented, complemented with the discussion of its dependencies on plasma parameters. The calculated CD efficiency for the ICRF system is shown to be similar to those for the negative neutral beam injection and electron cyclotron resonance heating.

  8. Phase-space dependent critical gradient behavior of fast-ion transport due to Alfvén eigenmodes

    Science.gov (United States)

    Collins, C. S.; Heidbrink, W. W.; Podestà, M.; White, R. B.; Kramer, G. J.; Pace, D. C.; Petty, C. C.; Stagner, L.; Van Zeeland, M. A.; Zhu, Y. B.; The DIII-D Team

    2017-08-01

    Experiments in the DIII-D tokamak show that many overlapping small-amplitude Alfvén eigenmodes (AEs) cause fast-ion transport to sharply increase above a critical threshold in beam power, leading to fast-ion density profile resilience and reduced fusion performance. The threshold is above the AE linear stability limit and varies between diagnostics that are sensitive to different parts of fast-ion phase-space. Comparison with theoretical analysis using the nova and orbit codes shows that, for the neutral particle diagnostic, the threshold corresponds to the onset of stochastic particle orbits due to wave-particle resonances with AEs in the measured region of phase space. The bulk fast-ion distribution and instability behavior was manipulated through variations in beam deposition geometry, and no significant differences in the onset threshold outside of measurement uncertainties were found, in agreement with the theoretical stochastic threshold analysis. Simulations using the ‘kick model’ produce beam ion density gradients consistent with the empirically measured radial critical gradient and highlight the importance of including the energy and pitch dependence of the fast-ion distribution function in critical gradient models. The addition of electron cyclotron heating changes the types of AEs present in the experiment, comparatively increasing the measured fast-ion density and radial gradient. These studies provide the basis for understanding how to avoid AE transport that can undesirably redistribute current and cause fast-ion losses, and the measurements are being used to validate AE-induced transport models that use the critical gradient paradigm, giving greater confidence when applied to ITER.

  9. Small Ion Channel Linking Molecular Simulations and Electrophysiology

    Science.gov (United States)

    Pohorille, Andrzej

    2017-01-01

    Ion channels are pore-forming protein assemblies that mediate the transport of small ions across cell membranes. Otherwise, membrane bilayers would be almost impermeable to ions incapable to traverse the low dielectric constant, hydrophobic membrane core. Ion channels are ubiquitous to all life forms. In humans and other higher organisms they play the central role in conducting nerve impulses, cardiac functions, muscle contraction and apoptosis. On the other extreme of biological complexity, viral ion channels (viroporins) influence many stages of the virus infection cycle either through regulating virus replication, such as entry, assembly and release or modulating the electrochemical balance in the subcellular compartments of host cells. Ion channels were crucial components of protocells. Their emergence facilitated adaptation of nascent life to different environmental conditions. The earliest ion channels must have been much simpler than most of their modern ancestors. Viral channels are among only a few naturally occurring models to study the structure, function and evolution of primordial channels. Experimental studies of these properties are difficult and often unreliable. In principle, computational methods, and molecular dynamics (MD) simulations in particular, can aid in providing information about both the structure and the function of ion channels. However, MD suffers from its own problems, such as inability to access sufficiently long time scales or limited accuracy of force fields. It is, therefore, essential to determine the reliability of MD simulations. We propose to do so on the basis of two criteria. One is channel stability on time scales that extend for several microseconds or longer. The other is the ability to reproduce the measured ionic conductance as a function of applied voltage. If both the stability and the calculated ionic conductance are satisfactory it will greatly increase our confidence that the structure and the function of a

  10. ITER fast ion collective Thomson scattering. Conceptual design of 60 GHz system

    DEFF Research Database (Denmark)

    Meo, Fernando; Bindslev, Henrik; Korsholm, Søren Bang

    The collective Thomson scattering diagnostic for ITER at the 60 GHz range is capable of measuring the fast ion distribution parallel and perpendicular to the magnetic field at different radial locations simultaneously. The design is robust technologically with no moveable components near the plasma...... describes the two systems and their main components. Section 3 clarifies the impact of design parameters such as beam widths and scattering angle on the CTS measurements. With this in hand, the ITER measurement requirements are translated into constraints on the CTS system designs. An important result...

  11. Recent Experiment Results on Fast Ion Instability at 2.5 GeV PLS

    CERN Document Server

    Kim Eun San; Hukuma, Hitoshi; Ikeda, Hitomi; Park, Chong-Do; Park, Sung-Ju; Soo Ko In; Yun Huang Jung

    2005-01-01

    We present recent experiment results on the fast ion instability that were performed at the PLS storage ring. With higher vacuum pressures of three orders of magnitude than nominal one by He gas injection into the ring, increases of a factor of around three in the vertical beam size were observed by interferometer system. From the various measurement results, we estimated growth times for the instability as a funcion of vacuum pressure and beam current. We also compared the results with those of the computer simulations and analytical calculations.

  12. Fast Ion Induced Shearing of 2D Alfven Eigenmodes Measured by Electron Cyclotron Emission Imaging

    Energy Technology Data Exchange (ETDEWEB)

    Tobias, Ben [University of California, Davis; Classen, I.G.J. [FOM Institute for Plasma Physics Rijnhuizen, Nieuwegein, The Netherlands; Domier, C. W. [University of California, Davis; Heidbrink, W. [University of California, Irvine; Luhmann, N.C. [University of California, Davis; Nazikian, Raffi [Princeton Plasma Physics Laboratory (PPPL); Park, H.K. [Pohang University of Science and Technology (POSTECH), Pohang, Republic of Korea; Spong, Donald A [ORNL; Van Zeeland, Michael [General Atomics

    2011-01-01

    Two-dimensional images of electron temperature perturbations are obtained with electron cyclotron emission imaging (ECEI) on the DIII-D tokamak and compared to Alfven eigenmode structures obtained by numerical modeling using both ideal MHD and hybrid MHD-gyrofluid codes. While many features of the observations are found to be in excellent agreement with simulations using an ideal MHD code (NOVA), other characteristics distinctly reveal the influence of fast ions on the mode structures. These features are found to be well described by the nonperturbative hybrid MHD-gyrofluid model TAEFL.

  13. Model for collisional fast ion diffusion into Tokamak Fusion Test Reactor loss cone

    Energy Technology Data Exchange (ETDEWEB)

    Chang, C.S. [New York Univ., NY (United States). Courant Inst. of Mathematical Sciences]|[Korea Advanced Inst. of Science and Technology, Seoul (Korea, Republic of); Zweben, S.J.; Schivell, J.; Budny, R.; Scott, S. [Princeton Univ., NJ (United States). Plasma Physics Lab.

    1994-08-01

    An analytic model is developed to estimate the classical pitch angle scattering loss of energetic fusion product ions into prompt loss orbits in a tokamak geometry. The result is applied to alpha particles produced by deutrium-tritium fusion reactions in a plasma condition relevant to Tokamak Fusion Test Reactor (TFTR). A poloidal angular distribution of collisional fast ion loss at the first wall is obtained and the numerical result from the TRANSP code is discussed. The present model includes the effect that the prompt loss boundary moves away from the slowing-down path due to reduction in banana thickness, which enables us to understand, for the first time. the dependence of the collisional loss rate on Z{sub eff}.

  14. Hole boring in a DT Pellet and Fast-Ion Ignition with Ultraintense Laser Pulses.

    Science.gov (United States)

    Naumova, N; Schlegel, T; Tikhonchuk, V T; Labaune, C; Sokolov, I V; Mourou, G

    2009-01-16

    Recently achieved high intensities of short laser pulses open new prospects in their application to hole boring in inhomogeneous overdense plasmas and for ignition in precompressed DT fusion targets. A simple analytical model and numerical simulations demonstrate that pulses with intensities exceeding 10;{22} W/cm;{2} may penetrate deeply into the plasma as a result of efficient ponderomotive acceleration of ions in the forward direction. The penetration depth as big as hundreds of microns depends on the laser fluence, which has to exceed a few tens of GJ/cm;{2}. The fast ions, accelerated at the bottom of the channel with an efficiency of more than 20%, show a high directionality and may heat the precompressed target core to fusion conditions.

  15. Fast electron generation by Coulomb scattering on spatially correlated ions in a strong laser field

    CERN Document Server

    Bauch, S

    2009-01-01

    Electrons colliding with spatially fixed ions in strong laser fields are investigated by solving the time-dependent Schr\\"odinger equation. Considering first simple one-dimensional model systems, the mechanisms and energy spectra of fast electrons are analyzed, starting from collisions on a single ion. By using these electrons as projectiles for a second and third collision, the maximum possible energy obtained can be significantly increased. We then generalize the analysis to 2D systems where additional angular degrees of freedom lead to a drastic loss of efficiency. This problem can be overcome by introducing external confinements, which allow to focus the electrons and increase the intensity of high-energy electrons.

  16. Fast removal of heavy metal ions and phytic acids from water using new modified chelating fiber

    Institute of Scientific and Technical Information of China (English)

    Li Xu; Jin Nan Wang; Ying Meng; Ai Min Li

    2012-01-01

    The graft copolymerization of acrylic acid (AA) onto polyethylene glycol terephthalate (PET) fiber initiated by benzoy peroxide (BPO) was carried out in heterogeneous media.Moreover,modification of the grafted PET fiber (PET-AA) was done by changing the carboxyl group into acylamino group through the reaction with dimethylamine.The modified chelating fiber (NDWJN 1) was characterized using elementary analysis,SEM and FT-IR spectroscopy.Adsorption kinetic curves indicated that NDWJN1 could fast remove heavy metal ions and phytic acids from water effectively.Furthermore,batch kinetic studies indicated that heavy metal ions adsorbed to NDWJN1 could be fitted well by both pseudo-first-order and pseudo-second-order adsorption equations,but the intra-particle diffusion plaved a dominant role in the adsorption of phvtic acids.

  17. Rotational laser cooling of vibrationally and translationally cold molecular ions

    DEFF Research Database (Denmark)

    Staanum, Peter; Højbjerre, Klaus; Skyt, Peter Sandegaard

    2010-01-01

    -molecular reactions with coherent light fields 8, 9 , for quantum-state-selected bi-molecular reactions 10, 11, 12 and for astrochemistry 12 . Here, we demonstrate rotational ground-state cooling of vibrationally and translationally cold MgH+ ions, using a laser-cooling scheme based on excitation of a single...... rovibrational transition 13, 14 . A nearly 15-fold increase in the rotational ground-state population of the X  1Σ+ electronic ground-state potential has been obtained. The resulting ground-state population of 36.7±1.2% is equivalent to that of a thermal distribution at about 20 K. The obtained cooling results...

  18. Application of atomic and molecular primary ions for TOF SIMS analysis of additive containing polymer surfaces

    Science.gov (United States)

    Stapel, D.; Benninghoven, A.

    2001-04-01

    The influence of primary ion mass and composition on secondary ion emission of the additive Irganox 1010 ( m=1176 u) in polyethylene was investigated. O +, Ar +, Xe +, O 2+, CO 2+, SF 5+, C 7H 7+, C 10H 8+, C 6F 6+, and C 10F 8+ with a total energy of 11 keV were used as primary ions under static secondary ion mass spectrometry (SIMS) conditions. Positive and negative molecular secondary ions characterizing the additive were determined and their yields were evaluated. For all characteristic secondary ions we found a strong yield enhancement with increasing mass for atomic primary ions and increasing number of constituents for molecular primary ions. This yield enhancement is saturated once the molecular primary ion is made of more than six heavy atoms. In addition this yield increase depends on the mass and structure of the considered secondary ion. We did not find any evidence for an influence of the chemical composition of the applied molecular primary ions on the secondary ion emission when static SIMS conditions were met. The improved imaging capabilities of molecular primary ions was demonstrated by comparing focused Ar + and SF 5+ primary ion beams when mapping characteristic secondary ion emission from a structured additive containing polypropylene surface.

  19. Molecular ions in the protostellar shock L1157-B1

    CERN Document Server

    Podio, L; Ceccarelli, C; Codella, C; Bachiller, R

    2014-01-01

    We perform a complete census of molecular ions with an abundance larger than 1e-10 in the protostellar shock L1157-B1 by means of an unbiased high-sensitivity survey obtained with the IRAM-30m and Herschel/HIFI. By means of an LVG radiative transfer code the gas physical conditions and fractional abundances of molecular ions are derived. The latter are compared with estimates of steady-state abundances in the cloud and their evolution in the shock calculated with the chemical model Astrochem. We detect emission from HCO+, H13CO+, N2H+, HCS+, and, for the first time in a shock, from HOCO+, and SO+. The bulk of the emission peaks at blueshifted velocity, ~ 0.5-3 km/s with respect to systemic, has a width of ~ 4-8 km/s, and is associated with the outflow cavities (T_kin ~ 20-70 K, n(H2) ~ 1e5 cm-3). Observed HCO+ and N2H+ abundances are in agreement with steady-state abundances in the cloud and with their evolution in the compressed and heated gas in the shock for cosmic rays ionization rate Z = 3e-16 s-1. HOCO+...

  20. Photodissociation spectroscopy of the dysprosium monochloride molecular ion

    CERN Document Server

    Dunning, Alexander; Showalter, Steven J; Puri, Prateek; Kotochigova, Svetlana; Hudson, Eric R

    2015-01-01

    We have performed a combined experimental and theoretical study of the photodissociation cross section of the molecular ion DyCl$^+$. The cross section for the photon energy range 35,500 cm$^{-1}$ to 47,500 cm$^{-1}$ is measured using an integrated ion trap and time-of-flight mass spectrometer, and we observe a broad, asymmetric profile that is peaked near 43,000 cm$^{-1}$. The theoretical cross section is determined from electronic potentials and transition dipole moments calculated using the relativistic configuration-interaction valence-bond and coupled-cluster methods. The electronic structure of DyCl$^+$ is unprecedentedly complex due to the presence of multiple open electronic shells, including 4f$^{10}$ orbitals. The molecule has nine attractive potentials with ionically-bonded electrons and 99 repulsive potentials dissociating to a ground state Dy$^+$ ion and Cl atom. We explain the lack of symmetry in the cross section as due to multiple contributions from one-electron-dominated transitions between t...

  1. Photoionization and photofragmentation of the C60+ molecular ion

    Science.gov (United States)

    Baral, K. K.; Aryal, N. B.; Esteves-Macaluso, D. A.; Thomas, C. M.; Hellhund, J.; Lomsadze, R.; Kilcoyne, A. L. D.; Müller, A.; Schippers, S.; Phaneuf, R. A.

    2016-03-01

    Cross-section measurements are reported for single and double photoionization of C60+ ions in the photon energy range 18-150 eV accompanied by the loss of zero to seven pairs of carbon atoms, as well as for fragmentation without ionization resulting in loss of two to eight pairs of C atoms in the photon energy range 18-65 eV. Absolute measurements were performed by merging a beam of C60+ molecular ions with a beam of monochromatized synchrotron radiation. Product channels involving dissociation yielding smaller fullerene fragment ions account for nearly half of the total measured oscillator strength in this energy range. The sum of cross sections for the measured product channels is compared to a published calculation of the total photoabsorption cross section of neutral C60 based on time-dependent density-functional theory. This comparison and an accounting of oscillator strengths indicate that with the exception of C58+, the most important product channels resulting from photoabsorption were accounted for in the experiment. Threshold energies for the successive removal of carbon atom pairs accompanying photoionization are also determined from the measurements.

  2. Fast Atomic Charge Calculation for Implementation into a Polarizable Force Field and Application to an Ion Channel Protein

    Directory of Open Access Journals (Sweden)

    Raiker Witter

    2015-01-01

    Full Text Available Polarization of atoms plays a substantial role in molecular interactions. Class I and II force fields mostly calculate with fixed atomic charges which can cause inadequate descriptions for highly charged molecules, for example, ion channels or metalloproteins. Changes in charge distributions can be included into molecular mechanics calculations by various methods. Here, we present a very fast computational quantum mechanical method, the Bond Polarization Theory (BPT. Atomic charges are obtained via a charge calculation method that depend on the 3D structure of the system in a similar way as atomic charges of ab initio calculations. Different methods of population analysis and charge calculation methods and their dependence on the basis set were investigated. A refined parameterization yielded excellent correlation of R=0.9967. The method was implemented in the force field COSMOS-NMR and applied to the histidine-tryptophan-complex of the transmembrane domain of the M2 protein channel of influenza A virus. Our calculations show that moderate changes of side chain torsion angle χ1 and small variations of χ2 of Trp-41 are necessary to switch from the inactivated into the activated state; and a rough two-side jump model of His-37 is supported for proton gating in accordance with a flipping mechanism.

  3. Anomalous fast ion losses at high β on the tokamak fusion test reactor

    Energy Technology Data Exchange (ETDEWEB)

    Fredrickson, E. D.; Bell, M. G.; Budny, R. V.; Darrow, D. S.; White, R. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States)

    2015-03-15

    This paper describes experiments carried out on the Tokamak Fusion Test Reactor (TFTR) [R. J. Hawryluk et al., Plasma Phys. Controlled Fusion 33, 1509 (1991)] to investigate the dependence of β-limiting disruption characteristics on toroidal field strength. The hard disruptions found at the β-limit in high field plasmas were not found at low field, even for β's 50% higher than the empirical β-limit of β{sub n} ≈ 2 at high field. Comparisons of experimentally measured β's to TRANSP simulations suggest anomalous loss of up to half of the beam fast ions in the highest β, low field shots. The anomalous transport responsible for the fast ion losses may at the same time broaden the pressure profile. Toroidal Alfvén eigenmodes, fishbone instabilities, and Geodesic Acoustic Modes are investigated as possible causes of the enhanced losses. Here, we present the first observations of high frequency fishbones [F. Zonca et al., Nucl. Fusion 49, 085009 (2009)] on TFTR. The interpretation of Axi-symmetric Beam-driven Modes as Geodesic Acoustic Modes and their possible correlation with transport barrier formation are also presented.

  4. Gyrokinetic electron and fully kinetic ion simulations of fast magnetosonic waves in the magnetosphere

    Science.gov (United States)

    Gao, Xiaotian; Liu, Kaijun; Wang, Xueyi; Min, Kyungguk; Lin, Yu; Wang, Xiaogang

    2017-06-01

    Two-dimensional simulations using a gyrokinetic electron and fully kinetic ion (GeFi) scheme are preformed to study the excitation of fast magnetosonic waves in the terrestrial magnetosphere, which arise from the ion Bernstein instability driven by proton velocity distributions with a positive slope with respect to the perpendicular velocity. Since both ion and electron kinetics are relevant, particle-in-cell (PIC) simulations have often been employed to study the wave excitation. However, the full particle-in-cell scheme is computationally expensive for simulating waves in the ion scale because the electron scale must be fully resolved. Therefore, such simulations are limited to reduced proton-to-electron mass ratio ( m p / m e) and light-to-Alfvén speed ratio ( c / v A). The present study exploits the GeFi scheme that can break through these limitations to some extent, so larger m p / m e and c / v A can be used. In the simulations presented, the ion Bernstein instability is driven by a proton velocity distribution composed of 10% energetic protons with a shell distribution and 90% relatively cool, background protons with a Maxwellian distribution. The capability of the GeFi code in simulating the ion Bernstein instability is first demonstrated by comparing a GeFi simulation using reduced mass ratio ( m p / m e = 100) and speed ratio ( c / v A = 15) to a corresponding PIC simulation as well as linear dispersion analysis. A realistic speed ratio ( c / v A = 400) and a larger mass ratio ( m p / m e = 400) are then adopted in the GeFi code to explore how the results vary. It is shown that, as the increased m p / m e and c / v A lead to a larger lower hybrid frequency, ion Bernstein waves are excited at more ion cyclotron harmonics, consistent with the general prediction of linear dispersion theory. On the other hand, the GeFi simulations also revealed some interesting features after the instability saturation, which are likely related to nonlinear wave

  5. Tuning Piezo ion channels to detect molecular-scale movements relevant for fine touch.

    Science.gov (United States)

    Poole, Kate; Herget, Regina; Lapatsina, Liudmila; Ngo, Ha-Duong; Lewin, Gary R

    2014-03-24

    In sensory neurons, mechanotransduction is sensitive, fast and requires mechanosensitive ion channels. Here we develop a new method to directly monitor mechanotransduction at defined regions of the cell-substrate interface. We show that molecular-scale (~13 nm) displacements are sufficient to gate mechanosensitive currents in mouse touch receptors. Using neurons from knockout mice, we show that displacement thresholds increase by one order of magnitude in the absence of stomatin-like protein 3 (STOML3). Piezo1 is the founding member of a class of mammalian stretch-activated ion channels, and we show that STOML3, but not other stomatin-domain proteins, brings the activation threshold for Piezo1 and Piezo2 currents down to ~10 nm. Structure-function experiments localize the Piezo modulatory activity of STOML3 to the stomatin domain, and higher-order scaffolds are a prerequisite for function. STOML3 is the first potent modulator of Piezo channels that tunes the sensitivity of mechanically gated channels to detect molecular-scale stimuli relevant for fine touch.

  6. Energetic Particle Diagnostics for Transport Analysis 3.Escaping Fast Ion Diagnostics for the Fast Particle Transport Analysis

    Science.gov (United States)

    Isobe, Mitsutaka; Shinohara, Kouji

    Escaping energetic ion diagnostics in magnetically confined plasma experiments are described in this lecture note. Experimental results from escaping energetic ion diagnostics in TFTR, JFT-2M, CHS and W7-AS are shown. In addition to mechanism of energetic ion loss from a viewpoint of particle orbit, effect of MHD activity on energetic particle transport is reviewed.

  7. Characterization of scintillator materials for fast-ion loss detectors in nuclear fusion reactors

    Science.gov (United States)

    Jiménez-Ramos, M. C.; García López, J.; García-Muñoz, M.; Rodríguez-Ramos, M.; Carmona Gázquez, M.; Zurro, B.

    2014-08-01

    In fusion plasma reactors, fast ion generated by heating systems and fusion born particles must be well confined. The presence of magnetohydrodynamic (MHD) instabilities can lead to a significant loss of these ions, which may reduce drastically the heating efficiency and may cause damage to plasma facing components in the vacuum vessel. In order to understand the physics underlying the fast ion loss mechanism, scintillator based detectors have been installed in several fusion devices. In this work we present the absolute photon yield and its degradation with ion fluence in terms of the number of photons emitted per incident ion of several scintillators thin coatings: SrGa2S4:Eu2+ (TG-Green), Y3Al5O12:Ce3+ (P46) and Y2O3:Eu3+ (P56) when irradiated with light ions of different masses (deuterium ions, protons and α-particles) at energies between approximately 575 keV and 3 MeV. The photon yield will be discussed in terms of the energy deposited by the particles into the scintillator. For that, the actual composition and thickness of the thin layers were determined by Rutherford Backscattering Spectrometry (RBS). A collimator with 1 mm of diameter, which defines the beam size for the experiments, placed at the entrance of the chamber. An electrically isolated sample holder biased to +300 V to collect the secondary electrons, connected to a digital current integrator (model 439 by Ortec) to measure the incident beam current. A home made device has been used to store the real-time evolution of the beam current in a computer file allowing the correction of the IL yields due to the current fluctuations. The target holder is a rectangle of 150 × 112 mm2 and can be tilted. The X and Y movements are controlled through stepping motors, which permits a fine control of the beam spot positioning as well as the study of several samples without venting the chamber. A silica optical fiber of 1 mm diameter fixed to the vacuum chamber, which collects the light from the scintillators

  8. Fast selective detection of polar brominated disinfection byproducts in drinking water using precursor ion scans.

    Science.gov (United States)

    Zhang, Xiangru; Talley, Jeffrey W; Boggess, Bill; Ding, Guoyu; Birdsell, Dennis

    2008-09-01

    Brominated disinfection byproducts (DBPs), formed from the reaction of disinfectant(s) with natural organic matter and bromide in raw water, are generally more cytotoxic and genotoxic than their chlorinated analogues. Brominated DBPs have been intensively studied over the past 35 years, yet only a fraction of the total organic bromine formed during disinfection has been identified. A significant portion of the unaccounted total organic bromine may be attributed to polar/highly polar brominated DBPs. In this work, a method for fast selective detection of polar/ highly polar brominated DBPs in drinking water was developed using negative ion electrospray ionization-triple quadrupole mass spectrometry (ESI-tqMS) by setting precursor ion scans of m/z 79 and 81. This method was conducted without liquid chromatography separation. The results demonstrate that the ESI-tqMS precursor ion scan is an effective tool for the selective detection of electrospray ionizable bromine-containing compounds in a complex mixture. Many polar/ highly polar bromine-containing DBPs were tentatively found in two drinking water samples, and some of them may be new brominated DBPs that have not been previously reported. This method was also extended for the selective detection of polar bromine-containing compounds/contaminants in groundwater, surface water and wastewater.

  9. Fast Beam-ion Instabilities in CLIC Main Linac Vacuum Specifications

    CERN Document Server

    Oeftiger, Adrian

    2011-01-01

    Specifications for the vacuum pressure in the CLIC electron Main Linac are determined by the onset of the fast beam-ion instability (FBII). When the electron beam is accelerated in the Main Linac, it ionizes the residual gas in the chamber through scattering ionization. If the density of ions around the beam exceeds a certain threshold, a resonant motion between the electron beam and the ions can be excited. A two-stream instability appears and as a result the beam acquires a coherent motion, which can quickly lead to beam quality degradation or even complete loss. Thus, the vacuum pressure must be kept below this threshold to prevent the excitation of FBII. The CLIC Main Linac poses an additional challenge with respect to previous FBII situations, because the gas ionization does not solely occur via scattering. The submicrometric beam sizes lead to extremely high electric fields around the beam and therefore result in field ionization beyond a certain threshold. The residual gas in the corresponding volume a...

  10. On The Anomalous Fast Ion Energy Diffusion in Toroidal Plasmas Due to Cavity Modes

    Energy Technology Data Exchange (ETDEWEB)

    N.N. Gorelenkov, N.J. Fisch and E. Fredrickson

    2010-03-09

    An enormous wave-particle diffusion coefficient along paths suitable for alpha channeling had been deduced in mode converted ion Bernstein wave experiments on Tokamak Fusion Test Reactor (TFTR) the only plausible explanation advanced for such a large diffusion coefficient was the excitation of internal cavity modes which induce particle diffusion along identical diffusion paths, but at much higher rates. Although such a mode was conjectured, it was never observed. However, recent detailed observations of high frequency compressional Alfven eigenmodes (CAEs) on the National Spherical torus Experiment (NSTX) indirectly support the existence of the related conjectured modes on TFTR. The eigenmodes responsible for the high frequency magnetic activity can be identified as CAEs through the polarization of the observed magnetic field oscillations in NSTX and through a comparison with the theoretically derived freuency dispersion relation. Here, we show how these recent observations of high frequency CAEs lend support to this explanation of the long-standing puzzle of anomalous fast ion energy diffusion on TFTR. The support of the conjecure that these internal modes could have caused the remarkable ion energy diffusion on TFTR carries significant and favorable implications for the possibilities in achieving the alpha channeling effect with small injected power in a tokamak reactor.

  11. Neutron yield when fast deuterium ions collide with strongly charged tritium-saturated dust particles

    Energy Technology Data Exchange (ETDEWEB)

    Akishev, Yu. S., E-mail: akishev@triniti.ru; Karal’nik, V. B.; Petryakov, A. V.; Starostin, A. N.; Trushkin, N. I.; Filippov, A. V. [State Research Center of Russian Federation, Troitsk Institute for Innovation and Thermonuclear Research (Russian Federation)

    2017-02-15

    The ultrahigh charging of dust particles in a plasma under exposure to an electron beam with an energy up to 25 keV and the formation of a flux of fast ions coming from the plasma and accelerating in the strong field of negatively charged particles are considered. Particles containing tritium or deuterium atoms are considered as targets. The calculated rates of thermonuclear fusion reactions in strongly charged particles under exposure to accelerated plasma ions are presented. The neutron generation rate in reactions with accelerated deuterium and tritium ions has been calculated for these targets. The neutron yield has been calculated when varying the plasma-forming gas pressure, the plasma density, the target diameter, and the beam electron current density. Deuterium and tritium-containing particles are shown to be the most promising plasmaforming gas–target material pair for the creation of a compact gas-discharge neutron source based on the ultrahigh charging of dust particles by beam electrons with an energy up to 25 keV.

  12. FAST

    DEFF Research Database (Denmark)

    Zuidmeer-Jongejan, Laurian; Fernandez-Rivas, Montserrat; Poulsen, Lars K.

    2012-01-01

    ABSTRACT: The FAST project (Food Allergy Specific Immunotherapy) aims at the development of safe and effective treatment of food allergies, targeting prevalent, persistent and severe allergy to fish and peach. Classical allergen-specific immunotherapy (SIT), using subcutaneous injections with aqu......ABSTRACT: The FAST project (Food Allergy Specific Immunotherapy) aims at the development of safe and effective treatment of food allergies, targeting prevalent, persistent and severe allergy to fish and peach. Classical allergen-specific immunotherapy (SIT), using subcutaneous injections...... with aqueous food extracts may be effective but has proven to be accompanied by too many anaphylactic side-effects. FAST aims to develop a safe alternative by replacing food extracts with hypoallergenic recombinant major allergens as the active ingredients of SIT. Both severe fish and peach allergy are caused...... in depth serological and cellular immune analyses will be performed, allowing identification of novel biomarkers for monitoring treatment efficacy. FAST aims at improving the quality of life of food allergic patients by providing a safe and effective treatment that will significantly lower their threshold...

  13. Alfven eigenmode stability and fast ion loss in DIII-D and ITER reversed magnetic shear plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Van Zeeland, Michael [General Atomics; Gorelenkov, Nikolai [Princeton Plasma Physics Laboratory (PPPL); Heidbrink, W. [University of California, Irvine; Kramer, G. [Princeton Plasma Physics Laboratory (PPPL); Spong, Donald A [ORNL; Austin, M. E. [University of Texas, Austin; Fisher, R K [General Atomics, San Diego; Munoz, M G [Max-Planck-Institut fur Plasmaphysik, EURATOM Association, Garching, Germany; Gorelenkova, M. [Princeton Plasma Physics Laboratory (PPPL); Luhmann, N.C. [University of California, Davis; Murakami, Masanori [ORNL; Nazikian, Raffi [Princeton Plasma Physics Laboratory (PPPL); Park, J. M. [Oak Ridge National Laboratory (ORNL); Tobias, Ben [University of California, Davis; White, R. [Princeton Plasma Physics Laboratory (PPPL)

    2012-01-01

    Neutral beam injection into reversed-magnetic shear DIII-D plasmas produces a variety of Alfvenic activity including toroidicity-induced Alfven eigenmodes (TAEs) and reversed shear Alfven eigenmodes (RSAEs). With measured equilibrium profiles as inputs, the ideal MHD code NOVA is used to calculate eigenmodes of these plasmas. The postprocessor code NOVA-K is then used to perturbatively calculate the actual stability of the modes, including finite orbit width and finite Larmor radius effects, and reasonable agreement with the spectrum of observed modes is found. Using experimentally measured mode amplitudes, fast ion orbit following simulations have been carried out in the presence of the NOVA calculated eigenmodes and are found to reproduce the dominant energy, pitch and temporal evolution of the losses measured using a large bandwidth scintillator diagnostic. The same analysis techniques applied to a DT 8 MA ITER steady-state plasma scenario with reversed-magnetic shear and both beam ion and alpha populations show Alfven eigenmode instability. Both RSAEs and TAEs are found to be unstable with maximum growth rates occurring for toroidal mode number n = 6 and the majority of the drive coming from fast ions injected by the 1MeV negative ion beams. AE instability due to beam ion drive is confirmed by the non-perturbative code TAEFL. Initial fast ion orbit following simulations using the unstable modes with a range of amplitudes (delta B/B = 10(-5)-10(-3)) have been carried out and show negligible fast ion loss. The lack of fast ion loss is a result of loss boundaries being limited to large radii and significantly removed from the actual modes themselves.

  14. Fast ion measurements by collective Thomson scattering in TEXTOR and ASDEX Upgrade and proposal for the ITER CTS system

    DEFF Research Database (Denmark)

    Korsholm, Søren Bang; Bindslev, Henrik; Furtula, Vedran;

    Moving towards the era of burning fusion plasmas, a better knowledge of the physics of highly energetic particles, such as fusion born alpha particles, becomes essential. Diagnosing the fast ions in a fusion plasma is a challenging task, but the technique of collective Thomson scattering (CTS......) provides the possibility of revealing the velocity distribution of the confined fast ions along a given direction – resolved both in time and space. Recently, the ITER baseline design has been expanded to include the enabling of the front end of a fast ion CTS diagnostic system resolving dynamics...... perpendicular to the magnetic field. The feasibility study and conceptual design of this diagnostic was provided by the CTS group at Risø DTU. The development of the ITER CTS diagnostic builds on the experiences and expertise gained from the construction and current operation of the CTS diagnostic systems...

  15. Hydrogen molecular ions for improved determination of fundamental constants

    CERN Document Server

    Karr, J -Ph; Koelemeij, Jeroen; Korobov, Vladimir

    2016-01-01

    The possible use of high-resolution rovibrational spectroscopy of the hydrogen molecular ions H + 2 and HD + for an independent determination of several fundamental constants is analyzed. While these molecules had been proposed for metrology of nuclear-to-electron mass ratios, we show that they are also sensitive to the radii of the proton and deuteron and to the Rydberg constant at the level of the current discrepancies colloquially known as the proton size puzzle. The required level of accuracy, in the 10 --12 range, can be reached both by experiments, using Doppler-free two-photon spectroscopy schemes, and by theoretical predictions. It is shown how the measurement of several well-chosen rovibrational transitions may shed new light on the proton-radius puzzle, provide an alternative accurate determination of the Rydberg constant, and yield new values of the proton-to-electron and deuteron-to-proton mass ratios with one order of magnitude higher precision.

  16. Molecular dynamics simulations of water within models of ion channels.

    Science.gov (United States)

    Breed, J; Sankararamakrishnan, R; Kerr, I D; Sansom, M S

    1996-04-01

    The transbilayer pores formed by ion channel proteins contain extended columns of water molecules. The dynamic properties of such waters have been suggested to differ from those of water in its bulk state. Molecular dynamics simulations of ion channel models solvated within and at the mouths of their pores are used to investigate the dynamics and structure of intra-pore water. Three classes of channel model are investigated: a) parallel bundles of hydrophobic (Ala20) alpha-helices; b) eight-stranded hydrophobic (Ala10) antiparallel beta-barrels; and c) parallel bundles of amphipathic alpha-helices (namely, delta-toxin, alamethicin, and nicotinic acetylcholine receptor M2 helix). The self-diffusion coefficients of water molecules within the pores are reduced significantly relative to bulk water in all of the models. Water rotational reorientation rates are also reduced within the pores, particularly in those pores formed by alpha-helix bundles. In the narrowest pore (that of the Ala20 pentameric helix bundle) self-diffusion coefficients and reorientation rates of intra-pore waters are reduced by approximately an order of magnitude relative to bulk solvent. In Ala20 helix bundles the water dipoles orient antiparallel to the helix dipoles. Such dipole/dipole interaction between water and pore may explain how water-filled ion channels may be formed by hydrophobic helices. In the bundles of amphipathic helices the orientation of water dipoles is modulated by the presence of charged side chains. No preferential orientation of water dipoles relative to the pore axis is observed in the hydrophobic beta-barrel models.

  17. Polarizabilities and Other Properties of the td Muons Molecular Ion

    Science.gov (United States)

    Bhatia, A. K.; Drachman, Richard J.; Fisher, Richard R. (Technical Monitor)

    2001-01-01

    Wavefunctions of Hylleraas type were used earlier to calculate energy levels of muonic systems. Recently, we found in the case of the molecular ions H2+, D2+ and HD+ that it was necessary to include high powers of the internuclear distance in the Hylleraas functions to localize the nuclear motion when treating the ions as three-body systems without invoking the Born-Oppenheimer approximation. We try the same approach in a muonic system, td(mu-). Improved convergence is obtained for J = 0 and 1 states for shorter expansions when we use this type of generalized Hylleraas function, but as the expansion length increases the high powers are no longer useful. We obtain good energy values for the two lowest J = 0 and J = 1 states and compare them with the best earlier calculations. Expectation values are obtained for various operators, the Fermi contact parameters, and the permanent quadrupole moment. The cusp conditions are also calculated. The polarizability of the ground state is then calculated using second-order perturbation theory with intermediate J = 1 pseudostates. It should be possible to measure the polarizability by observing Rydberg states of atoms with td(mu-) acting as the nucleus.

  18. Molecular dynamics simulation of graphene bombardment with Si ion

    Science.gov (United States)

    Qin, Xin-Mao; Gao, Ting-Hong; Yan, Wan-Jun; Guo, Xiao-Tian; Xie, Quan

    2014-03-01

    Molecular dynamics simulations with Tersoff-Ziegler-Biersack-Littmark (Tersoff-ZBL) potential and adaptive intermolecular reactive empirical bond order (AIREBO) potential are performed to study the effect of irradiated graphene with silicon ion at several positions and energy levels of 0.1-1000 eV. The simulations reveal four processes: absorption, replacement, transmission and damage. At energies below 110 eV, the dominant process is absorption. For atom in group (a), the process that takes place is replacement, in which the silicon ion removes one carbon atom and occupies the place of the eliminated atom at the incident energy of 72-370 eV. Transmission is present at energies above 100 eV for atom in group (d). Damage is a very important process in current bombardment, and there are four types of defects: single vacancy, replacement-single vacancy, double vacancy and nanopore. The simulations provide a fundamental understanding of the silicon bombardment of graphene, and the parameters required to develop graphene-based devices by controlling defect formation.

  19. Fragmentation of molecular ions in slow electron collisions

    Energy Technology Data Exchange (ETDEWEB)

    Novotny, Steffen

    2008-06-25

    The fragmentation of positively charged hydrogen molecular ions by the capture of slow electrons, the so called dissociative recombination (DR), has been investigated in storage ring experiments at the TSR, Heidelberg, where an unique twin-electron-beam arrangement was combined with high resolution fragment imaging detection. Provided with well directed cold electrons the fragmentation kinematics were measured down to meV collision energies where pronounced rovibrational Feshbach resonances appear in the DR cross section. For thermally excited HD{sup +} the fragmentation angle and the kinetic energy release were studied at variable precisely controlled electron collision energies on a dense energy grid from 10 to 80 meV. The anisotropy described for the first time by Legendre polynomials higher 2{sup nd} order and the extracted rotational state contributions were found to vary on a likewise narrow energy scale as the rotationally averaged DR rate coefficient. Ro-vibrationally resolved DR experiments were performed on H{sub 2}{sup +} produced in distinct internal excitations by a novel ion source. Both the low-energy DR rate as well as the fragmentation dynamics at selected resonances were measured individually in the lowest two vibrational and first three excited rotational states. State-specific DR rates and angular dependences are reported. (orig.)

  20. Deterministic delivery of externally cold and precisely positioned single molecular ions

    CERN Document Server

    Leschhorn, G; Schaetz, T

    2011-01-01

    We present the preparation and deterministic delivery of a selectable number of externally cold molecular ions. A laser cooled ensemble of Mg^+ ions subsequently confined in several linear Paul traps inter-connected via a quadrupole guide serves as a cold bath for a single or up to a few hundred molecular ions. Sympathetic cooling embeds the molecular ions in the crystalline structure. MgH^+ ions, that serve as a model system for a large variety of other possible molecular ions, are cooled down close to the Doppler limit and are positioned with an accuracy of one micrometer. After the production process, severely compromising the vacuum conditions, the molecular ion is efficiently transfered into nearly background-free environment. The transfer of a molecular ion between different traps as well as the control of the molecular ions in the traps is demonstrated. Schemes, optimized for the transfer of a specific number of ions, are realized and their efficiencies are evaluated. This versatile source applicable f...

  1. A Fast Variational Method for the Construction of Resolution Adaptive C-Smooth Molecular Surfaces.

    Science.gov (United States)

    Bajaj, Chandrajit L; Xu, Guoliang; Zhang, Qin

    2009-05-01

    We present a variational approach to smooth molecular (proteins, nucleic acids) surface constructions, starting from atomic coordinates, as available from the protein and nucleic-acid data banks. Molecular dynamics (MD) simulations traditionally used in understanding protein and nucleic-acid folding processes, are based on molecular force fields, and require smooth models of these molecular surfaces. To accelerate MD simulations, a popular methodology is to employ coarse grained molecular models, which represent clusters of atoms with similar physical properties by psuedo- atoms, resulting in coarser resolution molecular surfaces. We consider generation of these mixed-resolution or adaptive molecular surfaces. Our approach starts from deriving a general form second order geometric partial differential equation in the level-set formulation, by minimizing a first order energy functional which additionally includes a regularization term to minimize the occurrence of chemically infeasible molecular surface pockets or tunnel-like artifacts. To achieve even higher computational efficiency, a fast cubic B-spline C(2) interpolation algorithm is also utilized. A narrow band, tri-cubic B-spline level-set method is then used to provide C(2) smooth and resolution adaptive molecular surfaces.

  2. Experimental Evaluation of Energy Transfer between Fast Ions and Alfven Eigenmodes

    Science.gov (United States)

    Nagaoka, Kenichi; Osakabe, Masaki; Isobe, Mitsutaka; Ogawa, Kunihiro; Suzuki, Yasuhiro; Kobayashi, Shinji; Yamamoto, Satoshi; Miyoshi, Yoshizumi; Katoh, Yuto; Fontdecaba, Josep Maria; Ascasibar, Enrique; LHD Team

    2016-10-01

    Recently, a new wave-particle analyzer was proposed to identify interaction between fast ions and Alfven eigenmodes [K. Nagaoka, 67th annual meeting of APS-DPP, savanna, 2015]. A data acquisition system for the wave-particle interaction analysis was developed for particle counting mode operation of neutral particle detectors. We recently applied the system to the Si-FNA detector signals in LHD and Heliotron J, and NPA signals in TJ-II. The first experimental results obtained in three devices are presented and the importance of the optimization of line of sight will be discussed. This research was supported by NIFS/NINS under the project of 'Promotion of International Network for Scientific Collaboration', NIFS Collaboration Research program (NIFS16KUHL068) and JSPS KAKENHI Grani-in-Aid for Young Scientists (A) 26709071.

  3. Spatial distribution of {gamma} emissivity and fast ions during ({sup 3}He)D ICRF heating experiments on JET

    Energy Technology Data Exchange (ETDEWEB)

    Start, D.F.H. [Commission of the European Communities, Abingdon (United Kingdom). JET Joint Undertaking; Righi, E. [Imperial Coll. of Science and Technology, London (United Kingdom); Warrick, C. [UKAEA Culham Lab., Abingdon (United Kingdom)

    1994-07-01

    A model is presented that can simulate the {gamma} emissivity in the poloidal cross-section during ({sup 3}He)D ICRF heated discharges in JET plasmas, by merging information obtained from the fast ion distribution and from nuclear reactions producing the observed {gamma} emissivity (production of {gamma} photons during {sup 3}He-{sup 9}Be reactions). This technique can play an important role in the identification of plasma instabilities that affect the redistribution of the fast ions in the plasma, like the TAE modes and the ripple in the tokamak magnetic field. 9 refs., 4 figs., 1 tab.

  4. Interaction of powerful hot plasma and fast ion streams with materials in dense plasma focus devices

    Energy Technology Data Exchange (ETDEWEB)

    Chernyshova, M., E-mail: maryna.chernyshova@ipplm.pl [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Gribkov, V.A. [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Institution of Russian Academy of Sciences A.A. Baikov Institute of Metallurgy and Material Science RAS, Moscow (Russian Federation); Kowalska-Strzeciwilk, E.; Kubkowska, M.; Miklaszewski, R.; Paduch, M.; Pisarczyk, T.; Zielinska, E. [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Demina, E.V.; Pimenov, V.N.; Maslyaev, S.A. [Institution of Russian Academy of Sciences A.A. Baikov Institute of Metallurgy and Material Science RAS, Moscow (Russian Federation); Bondarenko, G.G. [National Research University Higher School of Economics (HSE), Moscow (Russian Federation); Vilemova, M.; Matejicek, J. [Institute of Plasma Physics of the CAS, Prague (Czech Republic)

    2016-12-15

    Highlights: • Materials perspective for use in mainstream nuclear fusion facilities were studied. • Powerful streams of hot plasma and fast ions were used to induce irradiation. • High temporal, spatial, angular and spectral resolution available in experiments. • Results of irradiation were investigated by number of analysis techniques. - Abstract: A process of irradiating and ablating solid-state targets with hot plasma and fast ion streams in two Dense Plasma Focus (DPF) devices – PF-6 and PF-1000 was examined by applying a number of diagnostics of nanosecond time resolution. Materials perspective for use in chambers of the mainstream nuclear fusion facilities (mainly with inertial plasma confinement like NIF and Z-machine), intended both for the first wall and for constructions, have been irradiated in these simulators. Optical microscopy, SEM, Atomic Emission Spectroscopy, images in secondary electrons and in characteristic X-ray luminescence of different elements, and X-ray elemental analysis, gave results on damageability for a number of materials including low-activated ferritic and austenitic stainless steels, β-alloy of Ti, as well as two types of W and a composite on its base. With an increase of the number of shots irradiating the surface, its morphology changes from weakly pronounced wave-like structures or ridges to strongly developed ones. At later stages, due to the action of the secondary plasma produced near the target materials they melted, yielding both blisters and a fracturing pattern: first along the grain and then “in-between” the grains creating an intergranular net of microcracks. At the highest values of power flux densities multiple bubbles appeared. Furthermore, in this last case the cracks were developed because of microstresses at the solidification of melt. Presence of deuterium within the irradiated ferritic steel surface nanolayers is explained by capture of deuterons in lattice defects of the types of impurity atoms

  5. Quantum State Control of Trapped Atomic and Molecular Ions

    Science.gov (United States)

    Seck, Christopher M.

    Full quantum control of a molecule would have a significant impact in molecular coherent control (alignment and orientation) and ultracold and quantum chemistry, quantum computing and simulation as well as hybrid quantum devices, and precision spectroscopy of importance to fundamental physics research. Precision spectroscopy of even simple diatomic molecules offers the possibility of uncovering physics beyond the standard model, specifically time variation of the proton-to-electron mass ratio, which is currently constrained by astronomical molecular observations at the 10-16 1/yr level and laboratory atomic measurements at the 10-17 1/yr level. To achieve this level of measurement and to avoid the complications of diatomic structure on traditional spectroscopy methods, molecular quantum logic spectroscopy (mQLS) will be the spectroscopy technique of choice. We discuss development of in-house external-cavity diode laser (ECDL) systems and improvements to the Libbrecht-Hall circuit, which is a well-known, low-noise current driver for narrow-linewidth diode lasers. However, as the current approaches the maximum set limit, the noise in the laser current increases dramatically. This behavior is documented and simple circuit modifications to alleviate this issue are explored. We cool trapped AlH+ molecules to their ground rotational-vibrational quantum state using an electronically-exciting broadband laser to simultaneously drive cooling resonances from many different rotational levels. We demonstrate rotational cooling on the 140(20) ms timescale from room temperature to 3.8 K, with the ground state population increasing from 3% to 95.4%. Since QLS does not require the high gate fidelities usually associated with quantum computation and quantum simulation, it is possible to make simplifying choices in ion species and quantum protocols at the expense of some fidelity. We demonstrate sideband cooling and motional state detection protocols for 138Ba+ of sufficient fidelity

  6. Thermal Analysis of a Fast Charging Technique for a High Power Lithium-Ion Cell

    Directory of Open Access Journals (Sweden)

    Victor Manuel García Fernández

    2016-11-01

    Full Text Available The cell case temperature versus time profiles of a multistage fast charging technique (4C-1C-constant voltage (CV/fast discharge (4C in a 2.3 Ah cylindrical lithium-ion cell are analyzed using a thermal model. Heat generation is dominated by the irreversible component associated with cell overpotential, although evidence of the reversible component is also observed, associated with the heat related to entropy from the electrode reactions. The final charging stages (i.e., 1C-CV significantly reduce heat generation and cell temperature during charge, resulting in a thermally safe charging protocol. Cell heat capacity was determined from cell-specific heats and the cell materials’ thickness. The model adjustment of the experimental data during the 2 min resting period between discharge and charge allowed us to calculate both the time constant of the relaxation process and the cell thermal resistance. The obtained values of these thermal parameters used in the proposed model are almost equal to those found in the literature for the same cell model, which suggests that the proposed model is suitable for its implementation in thermal management systems.

  7. A Novel Data-Driven Fast Capacity Estimation of Spent Electric Vehicle Lithium-ion Batteries

    Directory of Open Access Journals (Sweden)

    Caiping Zhang

    2014-12-01

    Full Text Available Fast capacity estimation is a key enabling technique for second-life of lithium-ion batteries due to the hard work involved in determining the capacity of a large number of used electric vehicle (EV batteries. This paper tries to make three contributions to the existing literature through a robust and advanced algorithm: (1 a three layer back propagation artificial neural network (BP ANN model is developed to estimate the battery capacity. The model employs internal resistance expressing the battery’s kinetics as the model input, which can realize fast capacity estimation; (2 an estimation error model is established to investigate the relationship between the robustness coefficient and regression coefficient. It is revealed that commonly used ANN capacity estimation algorithm is flawed in providing robustness of parameter measurement uncertainties; (3 the law of large numbers is used as the basis for a proposed robust estimation approach, which optimally balances the relationship between estimation accuracy and disturbance rejection. An optimal range of the threshold for robustness coefficient is also discussed and proposed. Experimental results demonstrate the efficacy and the robustness of the BP ANN model together with the proposed identification approach, which can provide an important basis for large scale applications of second-life of batteries.

  8. Fast, high temperature and thermolabile GC--MS in supersonic molecular beams

    Science.gov (United States)

    Dagan, Shai; Amirav, Aviv

    1994-05-01

    This work describes and evaluates the coupling of a fast gas chromatograph (GC) based on a short column and high carrier gas flow rate to a supersonic molecular beam mass spectrometer (MS). A 50 cm long megabore column serves for fast GC separation and connects the injector to the supersonic nozzle source. Sampling is achieved with a conventional syringe based splitless sample injection. The injector contains no septum and is open to the atmosphere. The linear velocity of the carrier gas is controlled by a by-pass (make-up) gas flow introduced after the column and prior to the supersonic nozzle. The supersonic expansion serves as a jet separator and the skimmed supersonic molecular beam (SMB) is highly enriched with the heavier organic molecules. The supersonic molecular beam constituents are ionized either by electron impact (EI) or hyperthermal surface ionization (HSI) and mass analyzed. A 1 s fast GC--MS of four aromatic molecules in methanol is demonstrated and some fundamental aspects of fast GC--MS with time limit constraints are outlined. The flow control (programming) of the speed of analysis is shown and the analysis of thermolabile and relatively non-volatile molecules is demonstrated and discussed. The tail-free, fast GC--MS of several mixtures is shown and peak tailing of caffeine is compared with that of conventional GC--MS. The improvement of the peak shapes with the SMB--MS is analyzed with the respect to the elimination of thermal vacuum chamber background. The extrapolated minimum detected amount was about 400 ag of anthracence-d10, with an elution time which was shorter than 2s. Repetitive injections could be performed within less than 10 s. The fast GC--MS in SMB seems to be ideal for fast target compound analysis even in real world, complex mixtures. The few seconds GC--MS separation and quantification of lead (as tetraethyllead) in gasoline, caffeine in coffee, and codeine in a drug is demonstrated. Controlled HSI selectivity is demonstrated in

  9. Radioactive Ion Beam Production by Fast-Neutron-Induced Fission in Actinide Targets at EURISOL

    CERN Document Server

    Herrera-Martínez, Adonai

    The European Isotope Separation On-Line Radioactive Ion Beam Facility (EURISOL) is set to be the 'next-generation' European Isotope Separation On-Line (ISOL) Radioactive Ion Beam (RIB) facility. It will extend and amplify current research on nuclear physics, nuclear astrophysics and fundamental interactions beyond the year 2010. In EURISOL, the production of high-intensity RIBs of specific neutron-rich isotopes is obtained by inducing fission in large-mass actinide targets. In our contribution, the use of uranium targets is shown to be advantageous to other materials, such as thorium. Therefore, in order to produce fissions in U-238 and reduce the plutonium inventory, a fast neutron energy spectrum is necessary. The large beam power required to achieve these RIB levels requires the use of a liquid proton-to-neutron converter. This article details the design parameters of the converter, with special attention to the coupled neutronics of the liquid converter and fission target. Calculations performed with the ...

  10. First measurements of D(α) spectrum produced by anisotropic fast ions in the gas dynamic trap.

    Science.gov (United States)

    Lizunov, A; Anikeev, A

    2014-11-01

    Angled injection of eight deuterium beams in gas dynamic trap (GDT) plasmas builds up the population of fast ions with the distribution function, which conserves a high degree of initial anisotropy in space, energy, and pitch angle. Unlike the Maxwellian distribution case, the fast ion plasma component in GDT cannot be exhaustively characterized by the temperature and density. The instrumentation complex to study of fast ions is comprised of motional Stark effect diagnostic, analyzers of charge exchange atoms, and others. The set of numerical codes using for equilibrium modeling is also an important tool of analysis. In the recent campaign of summer 2014, we recorded first signals from the new fast ion D-alpha diagnostic on GDT. This paper presents the diagnostic description and results of pilot measurements. The diagnostic has four lines of sight, distributed across the radius of an axially symmetric plasma column in GDT. In the present setup, a line-integrated optical signal is measured in each channel. In the transverse direction, the spatial resolution is 18 mm. Collected light comes to the grating spectrometer with the low-noise detector based on a charge-coupled device matrix. In the regime of four spectra stacked vertically on the sensor, the effective spectral resolution of measurements is approximately 0.015 nm. Exposure timing is provided by the fast optical ferroelectric crystal shutter, allowing frames of duration down to 70 μs. This number represents the time resolution of measurements. A large dynamic range of the camera permits for a measurement of relatively small light signals produced by fast ions on top of the bright background emission from the bulk plasma. The fast ion emission has a non-Gaussian spectrum featuring the characteristic width of approximately 4 nm, which can be separated from relatively narrow Gaussian lines of D-alpha and H-alpha coming from the plasma periphery, and diagnostic beam emission. The signal to noise ratio varies

  11. First measurements of D{sub α} spectrum produced by anisotropic fast ions in the gas dynamic trap

    Energy Technology Data Exchange (ETDEWEB)

    Lizunov, A.; Anikeev, A. [Budker Institute of Nuclear Physics, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, 630090 Novosibirsk (Russian Federation)

    2014-11-15

    Angled injection of eight deuterium beams in gas dynamic trap (GDT) plasmas builds up the population of fast ions with the distribution function, which conserves a high degree of initial anisotropy in space, energy, and pitch angle. Unlike the Maxwellian distribution case, the fast ion plasma component in GDT cannot be exhaustively characterized by the temperature and density. The instrumentation complex to study of fast ions is comprised of motional Stark effect diagnostic, analyzers of charge exchange atoms, and others. The set of numerical codes using for equilibrium modeling is also an important tool of analysis. In the recent campaign of summer 2014, we recorded first signals from the new fast ion D-alpha diagnostic on GDT. This paper presents the diagnostic description and results of pilot measurements. The diagnostic has four lines of sight, distributed across the radius of an axially symmetric plasma column in GDT. In the present setup, a line-integrated optical signal is measured in each channel. In the transverse direction, the spatial resolution is 18 mm. Collected light comes to the grating spectrometer with the low-noise detector based on a charge-coupled device matrix. In the regime of four spectra stacked vertically on the sensor, the effective spectral resolution of measurements is approximately 0.015 nm. Exposure timing is provided by the fast optical ferroelectric crystal shutter, allowing frames of duration down to 70 μs. This number represents the time resolution of measurements. A large dynamic range of the camera permits for a measurement of relatively small light signals produced by fast ions on top of the bright background emission from the bulk plasma. The fast ion emission has a non-Gaussian spectrum featuring the characteristic width of approximately 4 nm, which can be separated from relatively narrow Gaussian lines of D-alpha and H-alpha coming from the plasma periphery, and diagnostic beam emission. The signal to noise ratio varies

  12. Cyclotron resonances of ions with obliquely propagating waves in coronal holes and the fast solar wind

    Science.gov (United States)

    Hollweg, Joseph V.; Markovskii, S. A.

    2002-06-01

    There is a growing consensus that cyclotron resonances play important roles in heating protons and ions in coronal holes where the fast solar wind originates and throughout interplanetary space as well. Most work on cyclotron resonant interactions has concentrated on the special, but unrealistic, case of propagation along the ambient magnetic field, B0, because of the great simplification it gives. This paper offers a physical discussion of how the cyclotron resonances behave when the waves propagate obliquely to B0. We show how resonances at harmonics of the cyclotron frequency come about, and how the physics can be different depending on whether E⊥ is in or perpendicular to the plane containing k and B0 (k is wave vector, and E⊥ is the component of the wave electric field perpendicular to B0). If E⊥ is in the k-B0 plane, the resonances are analogous to the Landau resonance and arise because the particle tends to stay in phase with the wave during the part of its orbit when it is interacting most strongly with E⊥. If E⊥ is perpendicular to the k-B0 plane, then the resonances depend on the fact that the particle is at different positions during the parts of its orbit when it is interacting most strongly with E⊥. Our main results are our refid="df10" type="formula">equations (10), refid="df11" type="formula">(11), and refid="df13" type="formula">(13) for the secular rate of energy gain (or loss) by a resonant particle and the unfamiliar result that ions can resonate with a purely right-hand circularly polarized wave if the propagation is oblique. We conclude with some speculations about the origin of highly obliquely propagating ion resonant waves in the corona and solar wind. We point out that there are a number of instabilities that may generate such waves locally in the corona and solar wind.

  13. Parallel helix bundles and ion channels: molecular modeling via simulated annealing and restrained molecular dynamics.

    OpenAIRE

    Kerr, I. D.; Sankararamakrishnan, R; Smart, O.S.; Sansom, M S

    1994-01-01

    A parallel bundle of transmembrane (TM) alpha-helices surrounding a central pore is present in several classes of ion channel, including the nicotinic acetylcholine receptor (nAChR). We have modeled bundles of hydrophobic and of amphipathic helices using simulated annealing via restrained molecular dynamics. Bundles of Ala20 helices, with N = 4, 5, or 6 helices/bundle were generated. For all three N values the helices formed left-handed coiled coils, with pitches ranging from 160 A (N = 4) to...

  14. Fast screening of ketamine in biological samples based on molecularly imprinted photonic hydrogels

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Liang [Department of Forensic Science, People' s Public Security University of China, Beijing (China); Meng, Pinjia, E-mail: mengpinjia@163.com [Department of Forensic Science, People' s Public Security University of China, Beijing (China); Zhang, Qingqing; Wang, Yanji [Department of Forensic Science, People' s Public Security University of China, Beijing (China)

    2013-04-10

    Graphical abstract: A novel label-free colorimetric chemosensor: with the increase in the concentration of ketamine, the Bragg diffraction peak of MIPHs gradually shifted to the longer wavelength region. Accompanying the peak shift, the color change of MIPHs was also observed obviously: from green to red. Highlights: ► We developed the label-free colorimetric MIPHs for handy and fast screening of ketamine. ► The obvious color change of MIPHs was observed upon ketamine. ► The MIPHs exhibited good sensing abilities in an aqueous environment. ► The sensing mechanisms of the water-compatible MIPHs were investigated. ► The MIPHs were employed to screening ketamine in real biological samples. -- Abstract: A novel label-free colorimetric chemosensor was developed for handy and fast screening of ketamine with high sensitivity and specificity based on molecularly imprinted photonic hydrogels (MIPHs) that combined the colloidal-crystal with molecular imprinting technique. The unique inverse opal arrays with a thin polymer wall in which the imprinted nanocavities of ketamine moleculars distributed allowed high sensitive, quick responsive, specific detection of the target analyte, and good regenerating ability in an aqueous environment. Due to the hierarchical inverse opal structural characteristics, the specific ketamine molecular recognition process can induce obvious swelling of the MIPHs to be directly transferred into visually perceptible optical signal (change in color) which can be detected by the naked eye through Bragg diffractive shifts of ordered macroporous arrays. In order to enhance the recognition ability in aqueous environments, the MIPHs were designed as water-compatible and synthesized in a water–methanol system. The molecular recognition mechanisms were investigated. The proposed MIPHs were successfully employed to screen trace level ketamine in human urine and saliva samples, exhibiting high sensitivity, rapid response, and specificity in the

  15. Benchmark and combined velocity-space tomography of fast-ion D-alpha spectroscopy and collective Thomson scattering measurements

    DEFF Research Database (Denmark)

    Jacobsen, Asger Schou; Salewski, Mirko; Geiger, B.

    2016-01-01

    We demonstrate the combination of fast-ion D-alpha spectroscopy (FIDA) and collective Thomson scattering (CTS) measurements to determine a common best estimate of the fastion velocity distribution function by velocity-space tomography. We further demonstrate a benchmark of FIDA tomography and CTS...

  16. Feasibility of inferring the full fast-ion distribution function via Orbit Tomography at the DIII-D Tokamak

    Science.gov (United States)

    Stagner, L.; Heidbrink, W. W.

    2016-10-01

    The sensitivity of fast-ion diagnostics to different regions of the fast-ion distribution (FID) phase space can be calculated. These phase space sensitivities when convolved with a local FID gives the expected experimental measurement. This process can be reversed to reconstruct the local FID from many experimental measurements in a method known as Velocity-space Tomography (VST). However, VST requires many radially overlapping measurement volumes which limits its applicability since most existing diagnostics are setup as radially separated arrays. Orbit Tomography (OT), an extension of VST that allows for the inference of the full FID, has been proposed as a solution to this problem. Unlike VST which reconstructs the fast-ion density on a 2D energy-pitch grid, OT infers the number of fast-ions on a particular orbit. This naturally correlates different radial locations allowing for any viewing chord to be used in the analysis. In the present work we will give an overview of OT and demonstrate its feasibility with the current diagnostic capability of the DIII-D tokamak. Work supported by the US DOE under Award DE-FC02-04ER54698.

  17. High-performance rechargeable batteries with nanoparticle active materials, photochemically regenerable active materials, and fast solid-state ion conductors

    Energy Technology Data Exchange (ETDEWEB)

    Farmer, Joseph C.

    2017-04-04

    A high-performance rechargeable battery using ultra-fast ion conductors. In one embodiment the rechargeable battery apparatus includes an enclosure, a first electrode operatively connected to the enclosure, a second electrode operatively connected to the enclosure, a nanomaterial in the enclosure, and a heat transfer unit.

  18. Spectrum response and analysis of 77 GHz band collective Thomson scattering diagnostic for bulk and fast ions in LHD plasmas

    DEFF Research Database (Denmark)

    Nishiura, M.; Kubo, S.; Tanaka, K.

    2014-01-01

    A collective Thomson scattering (CTS) diagnostic was developed and used to measure the bulk and fast ions originating from 180 keV neutral beams in the Large Helical Device (LHD). Electromagnetic waves from a gyrotron at 77 GHz with 1 MW power output function as both the probe and electron cyclot...

  19. Detection of nitro-based and peroxide-based explosives by fast polarity-switchable ion mobility spectrometer with ion focusing in vicinity of Faraday detector.

    Science.gov (United States)

    Zhou, Qinghua; Peng, Liying; Jiang, Dandan; Wang, Xin; Wang, Haiyan; Li, Haiyang

    2015-05-29

    Ion mobility spectrometer (IMS) has been widely deployed for on-site detection of explosives. The common nitro-based explosives are usually detected by negative IMS while the emerging peroxide-based explosives are better detected by positive IMS. In this study, a fast polarity-switchable IMS was constructed to detect these two explosive species in a single measurement. As the large traditional Faraday detector would cause a trailing reactant ion peak (RIP), a Faraday detector with ion focusing in vicinity was developed by reducing the detector radius to 3.3 mm and increasing the voltage difference between aperture grid and its front guard ring to 591 V, which could remove trailing peaks from RIP without loss of signal intensity. This fast polarity-switchable IMS with ion focusing in vicinity of Faraday detector was employed to detect a mixture of 10 ng 2,4,6-trinitrotoluene (TNT) and 50 ng hexamethylene triperoxide diamine (HMTD) by polarity-switching, and the result suggested that [TNT-H](-) and [HMTD+H](+) could be detected in a single measurement. Furthermore, the removal of trailing peaks from RIP by the Faraday detector with ion focusing in vicinity also promised the accurate identification of KClO4, KNO3 and S in common inorganic explosives, whose product ion peaks were fairly adjacent to RIP.

  20. Defects in metal crystals. Progress report, May 1, 1976--April 30, 1977. [Heavy ions and fast neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Seidman, D N

    1977-02-01

    Work performed during 1976 to investigate point defects, aggregates of point defects and their interactions with one another is described. Strong emphasis is placed on the use of different irradiating species (300 to 700 eV Xe/sup +/ ions, 300 eV and 30 keV He/sup +/ ions, 20- to 40-keV W/sup +/ ions, 20- to 40-keV Mo/sup +/ ions, 20- to 40-keV Cr/sup +/ ions and fast neutrons) to introduce both vacancies and interstitials in a number of pure metals (Mo, W, Au, Ta) and alloys (Pt-Au, W-Re, Mo-Ti, Mo-Ti-Zr, Ni/sub 4/Mo, Ni/sub 3/Fe, Ni/sub 3/Mn, low swelling 316 stainless steel and commercial 316 stainless steel). (GHT)

  1. Jet acceleration of the fast molecular outflows in the Seyfert galaxy IC 5063.

    Science.gov (United States)

    Tadhunter, C; Morganti, R; Rose, M; Oonk, J B R; Oosterloo, T

    2014-07-24

    Massive outflows driven by active galactic nuclei are widely recognized to have a key role in the evolution of galaxies, by heating the ambient gas, expelling it from the nuclear regions, and thereby affecting the star-formation histories of the galaxy bulges. It has been proposed that the powerful jets of relativistic particles (such as electrons) launched by some active nuclei can both accelerate and heat the molecular gas, which often dominates the mass budgets of the outflows. Clear evidence for this mechanism, in the form of detailed associations between the molecular gas kinematics and features in the radio-emitting jets, has however been lacking. Here we report that the warm molecular hydrogen gas in the western radio lobe of the Seyfert galaxy IC 5063 is moving at high velocities-up to about 600 kilometres per second-relative to the galaxy disk. This suggests that the molecules have been accelerated by fast shocks driven into the interstellar medium by the expanding radio jets. These results demonstrate the general feasibility of accelerating molecular outflows in fast shocks driven by active nuclei.

  2. Forbidden Vibrational Transitions in Cold Molecular Ions: Experimental Observation and Potential Applications.

    Science.gov (United States)

    Germann, Matthias; Tonga, Xin; Willitsch, Stefan

    2015-01-01

    A range of interesting fundamental scientific questions can be addressed by high-precision molecular spectroscopy. A promising way towards this goal is the measurement of dipole-forbidden vibrational transitions in molecular ions. We have recently reported the first such observation in a molecular ion. Here, we give an overview of our method and our results as well as an outlook on potential future applications.

  3. Superstatistical velocity distributions of cold trapped ions in molecular dynamics simulations

    CERN Document Server

    Rouse, I

    2015-01-01

    We present a realistic molecular-dynamics treatment of laser-cooled ions in radiofrequency ion traps which avoids previously made simplifications such as modeling laser cooling as a friction force and combining individual heating mechanisms into a single effective heating force. Based on this implementation, we show that infrequent energetic collisions of single ions with background gas molecules lead to pronounced heating of the entire ion ensemble and a time-varying secular ensemble temperature which manifests itself in a superstatistical time-averaged velocity distribution of the ions. The effect of this finding on the experimental determination of ion temperatures and rate constants for cold chemical reactions is discussed.

  4. Photovoltaic lithium-ion battery fabricated by molecular precursor method

    Science.gov (United States)

    Nagai, Hiroki; Suzuki, Tatsuya; Takahashi, Yoshihisa; Sato, Mitsunobu

    2016-06-01

    A novel thin-film lithium-ion battery (LIB) which can be charged by the light irradiation was fabricated by molecular precursor method. The unprecedented, translucent thin-film LIB, fabricated on a fluorine-doped tin oxide pre-coated glass substrate, was attained by using the active materials, titania for anode and LiCoO2 for cathode, respectively. The averaged potential at 2.04V was observed by applying a constant current of 0.2mA. Then, that at 1.82V was detected after 60s during the sequential self-discharge process. The charging voltage of the assembled battery was 1.38V with irradiation of 1-sun, the self-discharge voltage was 1.37V. Based on the calibration curve of the charging voltages over constant currents ranging from 0-1.0mA, the detected value can be theoretically reduced to the charging operation by applying a constant current of approximately 60μA. The charge and discharge of this device was stable voltage at least 30 cycles. The two-in-one device can simultaneously generate and store electricity from solar light, the renewable energy source, and may be applied in smart windows for distributed power system according to on-site demand.

  5. Competition Between Two Excitation-dissociation Channels for Molecular Ions

    Institute of Scientific and Technical Information of China (English)

    Li-kun Lai; Li-min Zhang; Mao-ping Yang; Dan-na Zhou

    2009-01-01

    When the molecular ions XYZ+ (XY2+) are excited simultaneously from an electronic state E0 into two higher electronic states Eα and Eβ with supervened dissociation or predisso-ciation, competition between the α and β excitation-dissociation channels occurs. A the-oretical model is provided to deal with the competition of the two excitation-dissociation channels with more than two kinds of ionic products for XYZ+ (XY2+). Supposing that the photo-excitation rates of two states Eα and Eβ are much less than their dissociation or prc-dissociation rates, a theoretical equation can be deduced to fit the measured data, which reflects the dependence of the product branching ratios on the intensity ratios of two excitation lasers. From the fitted parameters the excitation cross section ratios are obtained. In experiment, we studied the competition between two excitation-dissociation channels of CO2+. By measuring the dependence of the product branching ratio on the intensity ra-tio of two dissociation lasers and fitting the experiment data with the theoretical equation, excitation cross section ratios were deduced.

  6. Penta-graphene: A Promising Anode Material as the Li/Na-Ion Battery with Both Extremely High Theoretical Capacity and Fast Charge/Discharge Rate.

    Science.gov (United States)

    Xiao, Bo; Li, Yan-Chun; Yu, Xue-Fang; Cheng, Jian-Bo

    2016-12-28

    Recently, a new two-dimensional (2D) carbon allotrope named penta-graphene was theoretically proposed ( Zhang , S. ; et al. Proc. Natl. Acad. Sci. U.S.A. 2015 , 112 , 2372 ) and has been predicted to be the promising candidate for broad applications due to its intriguing properties. In this work, by using first-principles simulation, we have further extended the potential application of penta-graphene as the anode material for a Li/Na-ion battery. Our results show that the theoretical capacity of Li/Na ions on penta-graphene reaches up to 1489 mAh·g(-1), which is much higher than that of most of the previously reported 2D anode materials. Meanwhile, the calculated low open-circuit voltages (from 0.24 to 0.60 V), in combination with the low diffusion barriers (≤0.33 eV) and the high electronic conductivity during the whole Li/Na ions intercalation processes, further show the advantages of penta-graphene as the anode material. Particularly, molecular dynamics simulation (300 K) reveals that Li ion could freely diffuse on the surface of penta-graphene, and thus the ultrafast Li ion diffusivity is expected. Superior performance of penta-graphene is further confirmed by comparing with the other 2D anode materials. The light weight and unique atomic arrangement (with isotropic furrow paths on the surface) of penta-graphene are found to be mainly responsible for the high Li/Na ions storage capacity and fast diffusivity. In this regard, except penta-graphene, many other recently proposed 2D metal-free materials with pentagonal Cairo-tiled structures may be the potential candidates as the Li/Na-ion battery anodes.

  7. Mechanism of cooperative behaviour in systems of slow and fast molecular motors.

    Science.gov (United States)

    Larson, Adam G; Landahl, Eric C; Rice, Sarah E

    2009-06-28

    Two recent theoretical advances have described cargo transport by multiple identical motors and by multiple oppositely directed, but otherwise identical motors [M. J. Muller, S. Klumpp and R. Lipowsky, Proc. Natl. Acad. Sci. U. S. A., 2008, 105(12), 4609-4614; S. Klumpp and R. Lipowsky, Proc. Natl. Acad. Sci. U. S. A., 2005, 102(48), 17284-17289]. Here, we combine a similar theoretical approach with a simple experiment to describe the behaviour of a system comprised of slow and fast molecular motors having the same directionality. We observed the movement of microtubules by mixtures of slow and fast kinesin motors attached to a glass coverslip in a classic sliding filament assay. The motors are identical, except that the slow ones contain five point mutations that collectively reduce their velocity approximately 15-fold without compromising maximal ATPase activity. Our results indicate that a small fraction of fast motors are able to accelerate the dissociation of slow motors from microtubules. Because of this, a sharp, highly cooperative transition occurs from slow to fast microtubule movement as the relative number of fast motors in the assay is increased. Microtubules move at half-maximal velocity when only 15% of the motors in the assay are fast. Our model indicates that this behaviour depends primarily on the relative motor velocities and the asymmetry between their forward and backward dissociation forces. It weakly depends on the number of motors and their processivity. We predict that movement of cargoes bound to two types of motors having very different velocities will be dominated by one or the other motor. Therefore, cargoes can potentially undergo abrupt changes in movement in response to regulatory mechanisms acting on only a small fraction of motors.

  8. Ion channel density regulates switches between regular and fast spiking in soma but not in axons.

    Directory of Open Access Journals (Sweden)

    Hugo Zeberg

    2010-04-01

    Full Text Available The threshold firing frequency of a neuron is a characterizing feature of its dynamical behaviour, in turn determining its role in the oscillatory activity of the brain. Two main types of dynamics have been identified in brain neurons. Type 1 dynamics (regular spiking shows a continuous relationship between frequency and stimulation current (f-I(stim and, thus, an arbitrarily low frequency at threshold current; Type 2 (fast spiking shows a discontinuous f-I(stim relationship and a minimum threshold frequency. In a previous study of a hippocampal neuron model, we demonstrated that its dynamics could be of both Type 1 and Type 2, depending on ion channel density. In the present study we analyse the effect of varying channel density on threshold firing frequency on two well-studied axon membranes, namely the frog myelinated axon and the squid giant axon. Moreover, we analyse the hippocampal neuron model in more detail. The models are all based on voltage-clamp studies, thus comprising experimentally measurable parameters. The choice of analysing effects of channel density modifications is due to their physiological and pharmacological relevance. We show, using bifurcation analysis, that both axon models display exclusively Type 2 dynamics, independently of ion channel density. Nevertheless, both models have a region in the channel-density plane characterized by an N-shaped steady-state current-voltage relationship (a prerequisite for Type 1 dynamics and associated with this type of dynamics in the hippocampal model. In summary, our results suggest that the hippocampal soma and the two axon membranes represent two distinct kinds of membranes; membranes with a channel-density dependent switching between Type 1 and 2 dynamics, and membranes with a channel-density independent dynamics. The difference between the two membrane types suggests functional differences, compatible with a more flexible role of the soma membrane than that of the axon membrane.

  9. Fast particle-driven ion cyclotron emission (ICE) in tokamak plasmas and the case for an ICE diagnostic in ITER

    CERN Document Server

    McClements, K G; Dendy, R O; Carbajal, L; Chapman, S C; Cook, J W S; Harvey, R W; Heidbrink, W W; Pinches, S D

    2014-01-01

    Fast particle-driven waves in the ion cyclotron frequency range (ion cyclotron emission or ICE) have provided a valuable diagnostic of confined and escaping fast ions in many tokamaks. This is a passive, non-invasive diagnostic that would be compatible with the high radiation environment of deuterium-tritium plasmas in ITER, and could provide important information on fusion {\\alpha}-particles and beam ions in that device. In JET, ICE from confined fusion products scaled linearly with fusion reaction rate over six orders of magnitude and provided evidence that {\\alpha}-particle confinement was close to classical. In TFTR, ICE was observed from super-Alfv\\'enic {\\alpha}-particles in the plasma edge. The intensity of beam-driven ICE in DIII-D is more strongly correlated with drops in neutron rate during fishbone excitation than signals from more direct beam ion loss diagnostics. In ASDEX Upgrade ICE is produced by both super-Alfv\\'enic DD fusion products and sub-Alfv\\'enic deuterium beam ions.

  10. Molecular design of the microbial cell surface toward the recovery of metal ions.

    Science.gov (United States)

    Kuroda, Kouichi; Ueda, Mitsuyoshi

    2011-06-01

    The genetic engineering of microorganisms to adsorb metal ions is an attractive method to facilitate the environmental cleanup of metal pollution and to enrich the recovery of metal ions such as rare metal ions. For the recovery of metal ions by microorganisms, cell surface design is an effective strategy for the molecular breeding of bioadsorbents as an alternative to intracellular accumulation. The cell surface display of known metal-binding proteins/peptides and the molecular design of novel metal-binding proteins/peptides have been performed using a cell surface engineering approach. The adsorption of specific metal ions is the important challenge for the practical recovery of metal ions. In this paper, we discuss the recent progress in surface-engineered bioadsorbents for the recovery of metal ions. Copyright © 2011 Elsevier Ltd. All rights reserved.

  11. Fast ion motion in the plasma part of a stellarator-mirror fission-fusion hybrid

    Science.gov (United States)

    Moiseenko, V. E.; Nemov, V. V.; Ågren, O.; Kasilov, S. V.; Garkusha, I. E.

    2016-06-01

    Recent developments of a stellarator-mirror (SM) fission-fusion hybrid concept are reviewed. The hybrid consists of a fusion neutron source and a powerful sub-critical fast fission reactor core. The aim is transmutation of spent nuclear fuel and safe fission energy production. In its fusion part, a stellarator-type system with an embedded magnetic mirror is used. The stellarator confines deuterium plasma with moderate temperature, 1-2 keV. In the magnetic mirror, a hot component of sloshing tritium ions is trapped. There, the fusion neutrons are generated. A candidate for a combined SM system is a DRACON magnetic trap. A basic idea behind an SM device is to maintain local neutron production in a mirror part, but at the same time eliminate the end losses by using a toroidal device. A possible drawback is that the stellarator part can introduce collision-free radial drift losses, which is the main topic for this study. For high energy ions of tritium with an energy of 70 keV, comparative computations of collisionless losses in the rectilinear part of a specific design of the DRACON type trap are carried out. Two versions of the trap are considered with different lengths of the rectilinear sections. Also the total number of current-carrying rings in the magnetic system is varied. The results predict that high energy ions from neutral beam injection can be satisfactorily confined in the mirror part during 0.1-1 s. The Uragan-2M experimental device is used to check key points of the SM concept. The magnetic configuration of a stellarator with an embedded magnetic mirror is arranged in this device by switching off one toroidal coil. The motion of particles magnetically trapped in the embedded mirror is analyzed numerically with use of motional invariants. It is found that without radial electric field particles quickly drift out of the SM, even if the particles initially are located on a nested magnetic surface. We will show that a weak radial electric field, which

  12. Interaction of monovalent ions with the water liquid-vapor interface - A molecular dynamics study

    Science.gov (United States)

    Wilson, Michael A.; Pohorille, Andrew

    1991-01-01

    Results of molecular dynamics calculations are presented for a series of ions at infinite dilution near the water liquid-vapor interface. The free energies of ion transfer from the bulk to the interface are discussed, as are the accompanying changes of water structure at the surface and ion mobilities as a function of their proximity to the interface. It is shown that simple dielectric models do not provide an accurate description of ions at the water surface. The results of the study should be useful in the development of better models incorporating the shape and molecular structure of the interface.

  13. Interaction of monovalent ions with the water liquid-vapor interface - A molecular dynamics study

    Science.gov (United States)

    Wilson, Michael A.; Pohorille, Andrew

    1991-01-01

    Results of molecular dynamics calculations are presented for a series of ions at infinite dilution near the water liquid-vapor interface. The free energies of ion transfer from the bulk to the interface are discussed, as are the accompanying changes of water structure at the surface and ion mobilities as a function of their proximity to the interface. It is shown that simple dielectric models do not provide an accurate description of ions at the water surface. The results of the study should be useful in the development of better models incorporating the shape and molecular structure of the interface.

  14. Roles of Fast-Cyclotron and Alfven-Cyclotron Waves for the Multi-Ion Solar Wind

    CERN Document Server

    Xiong, Ming

    2012-01-01

    Using linear Vlasov theory of plasma waves and quasi-linear theory of resonant wave-particle interaction, the dispersion relations and the electromagnetic field fluctuations of fast and Alfven waves are studied for a low-beta multi-ion plasma in the inner corona. Their probable roles in heating and accelerating the solar wind via Landau and cyclotron resonances are quantified. We assume that (1) low-frequency Alfven and fast waves have the same spectral shape and the same amplitude of power spectral density; (2) these waves eventually reach ion cyclotron frequencies due to a turbulence cascade; (3) kinetic wave-particle interaction powers the solar wind. The existence of alpha particles in a dominant proton/electron plasma can trigger linear mode conversion between oblique fast-whistler and hybrid alpha-proton cyclotron waves. The fast-cyclotron waves undergo both alpha and proton cyclotron resonances. The alpha cyclotron resonance in fast-cyclotron waves is much stronger than that in Alfven-cyclotron waves. ...

  15. Molecular dynamic simulation of secondaryion ion emission from an Al sample bombarded with MeV heavy ions

    Institute of Scientific and Technical Information of China (English)

    薛建明; 今西信嗣

    2002-01-01

    Sputtering yields and kinetic energy distributions (KED) of Al atomic ions ejected from a pure aluminium sampleunder MeV silicon ion bombardment were simulated with the molecular dynamic method. Since the electronic energyloss Se is much higher than the nuclear energy loss Sn when the incident ion energy is as high as several MeV, the Seeffect was also taken into consideration in the simulation. It was found that the simulated sputtering yield fits well withthe experimental data and the electronic energy loss has a slight effect at incident ion energies higher than 4 MeV. Thesimulated secondary ion KED spectrum is a little lower in the peak energy and narrower in the peak width than thatin the experiment.

  16. Petascale molecular dynamics simulation using the fast multipole method on K computer

    KAUST Repository

    Ohno, Yousuke

    2014-10-01

    In this paper, we report all-atom simulations of molecular crowding - a result from the full node simulation on the "K computer", which is a 10-PFLOPS supercomputer in Japan. The capability of this machine enables us to perform simulation of crowded cellular environments, which are more realistic compared to conventional MD simulations where proteins are simulated in isolation. Living cells are "crowded" because macromolecules comprise ∼30% of their molecular weight. Recently, the effects of crowded cellular environments on protein stability have been revealed through in-cell NMR spectroscopy. To measure the performance of the "K computer", we performed all-atom classical molecular dynamics simulations of two systems: target proteins in a solvent, and target proteins in an environment of molecular crowders that mimic the conditions of a living cell. Using the full system, we achieved 4.4 PFLOPS during a 520 million-atom simulation with cutoff of 28 Å. Furthermore, we discuss the performance and scaling of fast multipole methods for molecular dynamics simulations on the "K computer", as well as comparisons with Ewald summation methods. © 2014 Elsevier B.V. All rights reserved.

  17. Formation and fragmentation of quadruply charged molecular ions by intense femtosecond laser pulses.

    Science.gov (United States)

    Yatsuhashi, Tomoyuki; Nakashima, Nobuaki

    2010-07-22

    We investigated the formation and fragmentation of multiply charged molecular ions of several aromatic molecules by intense nonresonant femtosecond laser pulses of 1.4 mum with a 130 fs pulse duration (up to 2 x 10(14) W cm(-2)). Quadruply charged states were produced for 2,3-benzofluorene and triphenylene molecular ion in large abundance, whereas naphthalene and 1,1'-binaphthyl resulted only in up to triply charged molecular ions. The laser wavelength was nonresonant with regard to the electronic transitions of the neutral molecules, and the degree of fragmentation was strongly correlated with the absorption of the singly charged cation radical. Little fragmentation was observed for naphthalene (off-resonant with cation), whereas heavy fragmentation was observed in the case of 1,1'-binaphthyl (resonant with cation). The degree of H(2) (2H) and 2H(2) (4H) elimination from molecular ions increased as the charge states increased in all the molecules examined. A striking difference was found between triply and quadruply charged 2,3-benzofluorene: significant suppression of molecular ions with loss of odd number of hydrogen was observed in the quadruply charged ions. The Coulomb explosion of protons in the quadruply charged state and succeeding fragmentation resulted in the formation of triply charged molecular ions with an odd number of hydrogens. The hydrogen elimination mechanism in the highly charged state is discussed.

  18. Scaling of triple differential cross-sections for asymmetric (, 2) process on helium isoelectronic ions by fast electrons

    Indian Academy of Sciences (India)

    M K Srivastava

    2005-01-01

    A simple scaling law is obtained for asymmetric (, 2) process on helium isoelectronic ions by fast electrons. It is based on treating the targets as having one active electron moving in the effective Coulomb field of the atomic core with an effective charge ' = − 5/8. This effective charge is also used in the description of the scattered and ejected electrons. The model has been tested against other available (, 2) results on helium in asymmetric geometry. The scaling law is found to work reasonably well for fast incident electrons and becomes increasingly accurate as target increases.

  19. Ion-driver fast ignition: Reducing heavy-ion fusion driver energy and cost, simplifying chamber design, target fab, tritium fueling and power conversion

    Energy Technology Data Exchange (ETDEWEB)

    Logan, G.; Callahan-Miller, D.; Perkins, J.; Caporaso, G.; Tabak, M.; Moir, R.; Meier, W.; Bangerter, Roger; Lee, Ed

    1998-04-01

    Ion fast ignition, like laser fast ignition, can potentially reduce driver energy for high target gain by an order of magnitude, while reducing fuel capsule implosion velocity, convergence ratio, and required precisions in target fabrication and illumination symmetry, all of which should further improve and simplify IFE power plants. From fast-ignition target requirements, we determine requirements for ion beam acceleration, pulse-compression, and final focus for advanced accelerators that must be developed for much shorter pulses and higher voltage gradients than today's accelerators, to deliver the petawatt peak powers and small focal spots ({approx}100 {micro}m) required. Although such peak powers and small focal spots are available today with lasers, development of such advanced accelerators is motivated by the greater likely efficiency of deep ion penetration and deposition into pre-compressed 1000x liquid density DT cores. Ion ignitor beam parameters for acceleration, pulse compression, and final focus are estimated for two examples based on a Dielectric Wall Accelerator; (1) a small target with {rho}r {approx} 2 g/cm{sup 2} for a small demo/pilot plant producing {approx}40 MJ of fusion yield per target, and (2) a large target with {rho}r {approx} 10 g/cm{sup 2} producing {approx}1 GJ yield for multi-unit electricity/hydrogen plants, allowing internal T-breeding with low T/D ratios, >75 % of the total fusion yield captured for plasma direct conversion, and simple liquid-protected chambers with gravity clearing. Key enabling development needs for ion fast ignition are found to be (1) ''Close-coupled'' target designs for single-ended illumination of both compressor and ignitor beams; (2) Development of high gradient (>25 MV/m) linacs with high charge-state (q {approx} 26) ion sources for short ({approx}5 ns) accelerator output pulses; (3) Small mm-scale laser-driven plasma lens of {approx}10 MG fields to provide steep focusing angles

  20. Cyclotron Resonances of Ions with Obliquely-Propagating Waves in Coronal Holes and the Fast Solar Wind

    Science.gov (United States)

    Hollweg, J. V.; Markovskii, S. A.

    2001-05-01

    UVCS/SOHO has provided observations of protons and ions in coronal holes which suggest the operation of ion-cyclotron heating and acceleration. Many models have concentrated on the interactions of particles with parallel-propagating ion-cyclotron waves. There is of course no reason to expect parallel propagation in the corona, so we consider here some consequences of oblique propagation. Following Stix (1992), we analytically calculate the energy absorbed by an ion moving in an obliquely-propagating electromagnetic wave. Resonances occur at harmonics of the gyro frequency, though we will show that the physical interpretations are quite different for electric field polarizations in, or perpendicular to, the plane containing k and Bo (k is wavenumber and Bo is the ambient magnetic field). Surprisingly, a resonance at the fundamental frequency can occur even if the wave is right-hand circularly polarized (i.e. opposite to the sense of the gyromotion). We suggest, therefore, that resonances with the fast/whistler branch, which are often overlooked, may play a role in the heating of ions and protons in coronal holes as long as the waves are oblique. We will discuss possible sources of such waves. We will also summarize other consequences of oblique propagation for the resonant heating of coronal holes and the origin of the fast solar wind. Stix, T.H., Waves in Plasmas, AIP, New York, 1992.

  1. Fast Quantum Molecular Dynamics Simulations of Simple Organic Liquids under Shock Compression

    Science.gov (United States)

    Cawkwell, Marc; Niklasson, Anders; Manner, Virginia; McGrane, Shawn; Dattelbaum, Dana

    2013-06-01

    The responses of liquid formic acid, acrylonitrile, and nitromethane to shock compression have been studied using quantum-based molecular dynamics simulations with the self-consistent tight-binding code LATTE. Microcanonical Born-Oppenheimer trajectories with precise energy conservation were computed without relying on an iterative self-consistent field optimization of the electronic degrees of freedom at each time step via the Fast Quantum Mechanical Molecular Dynamics formalism. The input shock pressures required to initiate chemistry in our simulations agree very well with recent laser- and flyer-plate-driven shock compression experiments. On-the-fly analysis of the electronic structure of the liquids over hundreds of picoseconds after dynamic compression revealed that their reactivity is strongly correlated with the temperature and pressure dependence of their HOMO-LUMO gap.

  2. Two Dual Ion Spectrometer Flight Units of the Fast Plasma Instrument Suite (FPI) for the Magnetospheric Multiscale Mission (MMS)

    Science.gov (United States)

    Adams, Mitzi

    2014-01-01

    Two Dual Ion Spectrometer flight units of the Fast Plasma Instrument Suite (FPI) for the Magnetospheric Multiscale Mission (MMS) have returned to MSFC for flight testing. Anticipated to begin on June 30, tests will ensue in the Low Energy Electron and Ion Facility of the Heliophysics and Planetary Science Office (ZP13), managed by Dr. Victoria Coffey of the Natural Environments Branch of the Engineering Directorate (EV44). The MMS mission consists of four identical spacecraft, whose purpose is to study magnetic reconnection in the boundary regions of Earth's magnetosphere.

  3. Measurement of inelasticities for charge correlated multiple ionization of Ne by fast C/sup 6 +/ ions

    Energy Technology Data Exchange (ETDEWEB)

    Schuch, R.; Datz, S.; Dittner, P.F.; Krause, H.F.; Miller, P.D.

    1987-01-01

    A description of measurements of inelasticities for multiple ionization in fast-single collisions is given for the example of 10 MeV C/sup 6 +/ ions with Ne atoms. The degree of multiple ionization was determined by time-of-flight of the recoil ions, extracted by an electric field in coincidence with the projectiles. Their energy loss for a given degree of multiple ionization was measured with a position-sensitive silicon detector in the focal plane of an Elbek magnetic spectrograph with an energy resolution of about 10/sup -4/.

  4. Photodissociation of Trapped Rb2+: Implications for Simultaneous Trapping of Atoms and Molecular Ions

    Science.gov (United States)

    Jyothi, S.; Ray, Tridib; Dutta, Sourav; Allouche, A. R.; Vexiau, Romain; Dulieu, Olivier; Rangwala, S. A.

    2016-11-01

    The direct photodissociation of trapped 85Rb2+ (rubidium) molecular ions by the cooling light for the 85Rb magneto-optical trap (MOT) is studied, both experimentally and theoretically. Vibrationally excited Rb2+ ions are created by photoionization of Rb2 molecules formed photoassociatively in the Rb MOT and are trapped in a modified spherical Paul trap. The decay rate of the trapped Rb2+ ion signal in the presence of the MOT cooling light is measured and agreement with our calculated rates for molecular ion photodissociation is observed. The photodissociation mechanism due to the MOT light is expected to be active and therefore universal for all homonuclear diatomic alkali metal molecular ions.

  5. Photodissociation of trapped Rb$^+_2$ : Implications for hybrid molecular ion-atom trapping

    CERN Document Server

    Jyothi, S; Dutta, Sourav; Allouche, A R; Vexiau, Romain; Dulieu, Olivier; Rangwala, S A

    2016-01-01

    We observe direct photodissociation of trapped $^{85}$Rb$_2^+$ molecular ions in the presence of cooling light for the $^{85}$Rb magneto optical trap (MOT). Vibrationally excited Rb$_{2}^{+}$ ions are created by photoionization of Rb$_{2}$ molecules formed photoassociatively in the rubidium (Rb) MOT and are trapped in a modified spherical Paul trap co-centric with the MOT. The decay rate of the trapped Rb$_{2}^{+}$ ion signal in the presence of the MOT cooling light is measured and agreement with our calculated rates for molecular ion photodissociation is established. The photodissociation mechanism due to the MOT light is expected to be active and therefore universal for all homonuclear diatomic alkali metal molecular ions.

  6. Trapping molecular ions formed via photo-associative ionization of ultracold atoms

    CERN Document Server

    Sullivan, Scott T; Kotochigova, Svetlana; Chen, Kuang; Schowalter, Steven J; Hudson, Eric R

    2011-01-01

    The formation of $^{40}$Ca$_2^+$ molecular ions is observed in a hybrid $^{40}$Ca magneto-optical and ion trap system. The molecular ion formation process is determined to be two-photon photo-associative ionization of ultracold $^{40}$Ca atoms. A lower bound for the two-body, two-photon rate constant is found to be $\\bar{\\beta} \\geq 2 \\pm 1 \\times 10^{-15}$ cm$^{3}$ Hz. $\\textit{Ab initio}$ molecular potential curves are calculated for the neutral Ca$_2$ and ionic Ca$_2^+$ molecules and used in a model that identifies the photo-associative ionization pathway. As this technique does not require a separate photo-association laser, it could find use as a simple, robust method for producing ultracold, state-selected molecular ions.

  7. Trapping molecular ions formed via photo-associative ionization of ultracold atoms.

    Science.gov (United States)

    Sullivan, Scott T; Rellergert, Wade G; Kotochigova, Svetlana; Chen, Kuang; Schowalter, Steven J; Hudson, Eric R

    2011-11-14

    The formation of (40)Ca(2)(+) molecular ions is observed in a hybrid (40)Ca magneto-optical and ion trap system. The molecular ion formation process is determined to be photo-associative ionization of ultracold (40)Ca atoms. A lower bound for the two-body rate constant is found to be beta ≥ 2 ± 1 × 10(-15) cm(3) Hz. Ab initio molecular potential curves are calculated for the neutral Ca(2) and ionic Ca(2)(+) molecules and used in a model that identifies the photo-associative ionization pathway. As this technique does not require a separate photo-association laser, it could find use as a simple, robust method for producing ultracold molecular ions.

  8. metal ion sequestration: an exciting dimension for molecularly ...

    African Journals Online (AJOL)

    The use of a tight binding macrocyclic ligand to complex a metal ion so that this serves as receptee on ... nickel(lI) ion whose chemistry is a reasonable substitute for many of the common environmentally .... certain soil bacteria secrete powerful.

  9. Fast Ion Effects on Fishbones and n=1 Kinks in JET Simulated by a Non-perturbative NOVA-KN Code

    Energy Technology Data Exchange (ETDEWEB)

    N.N. Gorelenkov; C.Z. Cheng; V.G. Kiptily; M.J. Mantsinen; S.E. Sharapov; the JET-EFDA Contributors

    2004-10-28

    New global non-perturbative hybrid code, NOVA-KN, and simulations of resonant type modes in JET [Joint European Torus] plasmas driven by energetic H-minority ions are presented. The NOVA-KN code employs the ideal-MHD description for the background plasma and treats non-perturbatively the fast particle kinetic response, which includes the fast ion finite orbit width (FOW) effect. In particular, the n = 1 fishbone mode, which is in precession drift resonance with fast ions, is studied. The NOVA-KN code is applied to model an n = 1 (f = 50-80kHz) MHD activity observed recently in JET low density plasma discharges with high fast ion (H-minority) energy content generated during the ion cyclotron resonance heating (ICRH). This n = 1 MHD activity is interpreted as the instability of the n = 1 precession drift frequency fishbone modes.

  10. Radii broadening due to molecular collision in focused ion beams

    Science.gov (United States)

    Komuro, Masanori

    1988-01-01

    Point exposures of poly(methyl methacrylate) resist are carried out with focused ion beams of Si++ and Au++ from a liquid AuSi ion source in order to obtain a current density distribution in the probe. All the distributions are composed of a main Gaussian distribution and a long tail dependent on r-3.3 (r means radial distance). The magnitude of this tail increases with the increase in ambient pressure of the ion-drifting space. When the probe is steered at the corner of deflection field, two types of clear ghost patterns appear: (1) circular patterns and (2) lines trailing from the main spot toward the deflection center. It is revealed that they are produced by exposures to ions or energetic neutrals generated with charge transfer collision of the primary ions with residual gas molecules. It is shown that the long tail in the current density distribution is also due to scattering with the residual gas molecules.

  11. Fast filtration sampling protocol for mammalian suspension cells tailored for phosphometabolome profiling by capillary ion chromatography - tandem mass spectrometry.

    Science.gov (United States)

    Kvitvang, Hans F N; Bruheim, Per

    2015-08-15

    Capillary ion chromatography (capIC) is the premium separation technology for low molecular phosphometabolites and nucleotides in biological extracts. Removal of excessive amounts of salt during sample preparation stages is a prerequisite to enable high quality capIC separation in combination with reproducible and sensitive MS detection. Existing sampling protocols for mammalian cells used for GC-MS and LC-MS metabolic profiling can therefore not be directly applied to capIC separations. Here, the development of a fast filtration sampling protocol for mammalian suspension cells tailored for quantitative profiling of the phosphometabolome on capIC-MS/MS is presented. The whole procedure from sampling the culture to transfer of filter to quenching and extraction solution takes less than 10s. To prevent leakage it is critical that a low vacuum pressure is applied, and satisfactorily reproducibility was only obtained by usage of a vacuum pressure controlling device. A vacuum of 60mbar was optimal for filtration of multiple myeloma Jjn-3 cell cultures through 5μm polyvinylidene (PVDF) filters. A quick deionized water (DI-water) rinse step prior to extraction was tested, and significantly higher metabolite yields were obtained during capIC-MS/MS analyses in this extract compared to extracts prepared by saline and reduced saline (25%) washing steps only. In addition, chromatographic performance was dramatically improved. Thus, it was verified that a quick DI-water rinse is tolerated by the cells and can be included as the final stage during filtration. Over 30 metabolites were quantitated in JJN-3 cell extracts by using the optimized sampling protocol with subsequent capIC-MS/MS analysis, and up to 2 million cells can be used in a single filtration step for the chosen filter and vacuum pressure. The technical set-up is also highly advantageous for microbial metabolome filtration protocols after optimization of vacuum pressure and washing solutions, and the reduced salt

  12. A dual molecular beacon approach for fast detection of Mycobacterium tuberculosis.

    Science.gov (United States)

    Yu, Chuan-Xing; Zhao, Zi-Yun; Lv, Jian-Xin; Zhu, Ling

    2013-02-01

    The main objectives of this study were to assess a dual molecular beacon approach for fast detection of Mycobacterium tuberculosis (MT). MT beacon (Tb-B) was designed to target the unique IS6110 (114 bp) and rpoB (215 bp) fragment of the MT (H37Ra) genome, and the two fragments were inserted into the PMD-19T vector after purification, by PCR and sequencing, to construct plasmids. Different dilutions of positive plasmid standards were used for dual molecular beacon RT-PCR of rpoB and IS6110, and standard curves were established.The results show that the dual molecular beacon of rpoB and IS6110 detecting MT was stable (CV is 1.91-2.68 %) with a high amplification efficiency (95.6 %). In addition, the strains of non MT did not generate fluorescence signals, while strains of MT did, indicating that the primers and molecular beacons were specific, and only MT complex was amplified. The linear range was wide (10(3)-10(11) copies/mL), and clinical specimens presenting different bacterial counts can be detected.

  13. Molecular Layer Deposition for Surface Modification of Lithium-Ion Battery Electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Ban, Chunmei [Center of Chemistry and Nanoscience, National Renewable Energy Laboratory, Golden CO 80401 USA; George, Steven M. [Department of Chemistry and Biochemistry, University of Colorado at Boulder, Boulder CO 80309 USA; Department of Mechanical Engineering, University of Colorado at Boulder, Boulder CO 80309 USA

    2016-10-21

    Inspired by recent successes in applying molecular layer deposition (MLD) to stabilize lithium-ion (Li-ion) electrodes, this review presents the MLD process and its outstanding attributes for electrochemical applications. The review discusses various MLD materials and their implementation in Li-ion electrodes. The rationale behind these emerging uses of MLD is examined to motivate future efforts on the fundamental understanding of interphase chemistry and the development of new materials for enhanced electrochemical performance.

  14. The response of a fast scintillator screen (YAP:Ce) to low energy ions (0-40 keV) and its use to detect fast-ion-loss in stellarator TJ-II

    Energy Technology Data Exchange (ETDEWEB)

    Martínez, M., E-mail: marcos.martinez@externos.ciemat.es [Universidad Carlos III de Madrid, Leganés (Spain); Zurro, B.; Baciero, A.; Jiménez-Rey, D.; Malo, M. [Laboratorio Nacional de Fusión, CIEMAT, Madrid (Spain); Tribaldos, V. [Departamento de Física, Universidad Carlos III de Madrid, Leganés (Spain); Crespo, M. T.; Muñoz, D. [Laboratorio de Metrología de Radiaciones Ionizantes, CIEMAT, Madrid (Spain)

    2016-11-15

    A systematic study of scintillation materials was undertaken to improve the time resolution of the fast ion diagnostic currently installed at TJ-II stellarator. It was found that YAP:Ce (formula YAlO{sub 3}:Ce, Yttrium Aluminum Perovskite doped with Cerium) ionoluminescence offers better sensitivity and time response compared to the standard detector material, SrGa{sub 2}S{sub 4}:Eu (TG-Green), currently used in TJ-II. A comparison between both materials was carried out by irradiating them with H{sup +} ions of up to 40 keV using a dedicated laboratory setup. It is found that for the low energy ions of interest at TJ-II, YAP:Ce offers 20 times higher sensitivity than TG-Green and much faster decay time, 27 ns versus 540 ns. It is expected that the use of YAP:Ce in combination with a faster data acquisition and an ion counting software as part of the TJ-II ion luminescent probe will provide 20 times faster data on ion loss.

  15. The response of a fast scintillator screen (YAP:Ce) to low energy ions (0-40 keV) and its use to detect fast-ion-loss in stellarator TJ-II

    Science.gov (United States)

    Martínez, M.; Zurro, B.; Baciero, A.; Jiménez-Rey, D.; Tribaldos, V.; Malo, M.; Crespo, M. T.; Muñoz, D.

    2016-11-01

    A systematic study of scintillation materials was undertaken to improve the time resolution of the fast ion diagnostic currently installed at TJ-II stellarator. It was found that YAP:Ce (formula YAlO3:Ce, Yttrium Aluminum Perovskite doped with Cerium) ionoluminescence offers better sensitivity and time response compared to the standard detector material, SrGa2S4:Eu (TG-Green), currently used in TJ-II. A comparison between both materials was carried out by irradiating them with H+ ions of up to 40 keV using a dedicated laboratory setup. It is found that for the low energy ions of interest at TJ-II, YAP:Ce offers 20 times higher sensitivity than TG-Green and much faster decay time, 27 ns versus 540 ns. It is expected that the use of YAP:Ce in combination with a faster data acquisition and an ion counting software as part of the TJ-II ion luminescent probe will provide 20 times faster data on ion loss.

  16. EFDA Task TW6-TPDS-DIADEV deliverable 2: ITER fast ion collective scattering development of diagnostic components and techniques

    Energy Technology Data Exchange (ETDEWEB)

    Michelsen, S.; Bindslev, H.; Korsholm, S.B.; Leipold, F.; Meo, F.; Michelsen, P.K.; Nielsen, A.H.; Tsakadze, E.

    2009-12-15

    In 2003 the Risoe CTS group finished a feasibility study and a conceptual design of an ITER fast ion collective Thomson scattering system. The purpose of the CTS diagnostic is to measure the distribution function of fast ions in the plasma with particular interest in fusion alphas. The feasibility study demonstrated that the only system, which can fully meet the ITER measurement requirements for confined fusion alphas, is a 60 GHz system. The study showed that by using two powerful microwave sources (gyrotrons) of this frequency both on the low field side, and two antenna systems, one on the low field side and one on the high field side, it is possible to resolve the distribution function of fast ions both for perpendicular andvparallel velocities with good spatial and temporal resolution. The present workvconcerned a continuation of this work, and the following tasks were performed. 1) Optimisation of the design, considering the scattering geometries, variations in plasma profiles, magnetic equilibria etc. 2) Development of numerical codes for determination of the geometry of the antenna system on the high field side, including shapes and positions of mirrors and receiver horns. 3) A model experiment was set up in order to test and support the theoretical and numerical results. From the design studies various R and D issues critical to the viability of the CTS diagnostic on ITER were identified; the most urgent ones are addressed in the presented R and D tasks. (author)

  17. Importance of explicit salt ions for protein stability in molecular dynamics simulation.

    Science.gov (United States)

    Ibragimova, G T; Wade, R C

    1998-06-01

    The accurate and efficient treatment of electrostatic interactions is one of the challenging problems of molecular dynamics simulation. Truncation procedures such as switching or shifting energies or forces lead to artifacts and significantly reduced accuracy. The particle mesh Ewald (PME) method is one approach to overcome these problems by providing a computationally efficient means of calculating all long-range electrostatic interactions in a periodic simulation box by use of fast Fourier transformation techniques. For the application of the PME method to the simulation of a protein with a net charge in aqueous solution, counterions are added to neutralize the system. The usual procedure is to add charge-balancing counterions close to charged residues to neutralize the protein surface. In the present article, we show that for MD simulation of a small protein of marginal stability, the YAP-WW domain, explicit modeling of 0.2 M ionic strength (in addition to the charge-balancing counterions) is necessary to maintain a stable protein structure. Without explicit ions throughout the periodic simulation box, the charge-balancing counterions on the protein surface diffuse away from the protein, resulting in destruction of the beta-sheet secondary structure of the WW domain.

  18. Comparison between Free and Immobilized Ion Effects on Hydrophobic Interactions: A Molecular Dynamics Study

    CERN Document Server

    Huang, Kai; Ma, C Derek; Abbott, Nicholas L; Szlufarska, Izabela

    2016-01-01

    Fundamental studies of the effect of specific ions on hydrophobic interactions are driven by the need to understand phenomena such as hydrophobically driven self-assembly or protein folding. Using beta-peptide-inspired nano-rods, we investigate the effects of both free ions (dissolved salts) and proximally immobilized ions on hydrophobic interactions. We find that the free ion effect is correlated with the water density fluctuation near a non-polar molecular surface, showing that such fluctuation can be an indicator of hydrophobic interactions in the case of solution additives. In the case of immobilized ion, our results demonstrate that hydrophobic interactions can be switched on and off by choosing different spatial arrangements of proximal ions on a nano-rod. For globally amphiphilic nano-rods, we find that the magnitude of the interaction can be further tuned using proximal ions with varying ionic sizes. In general, univalent proximal anions are found to weaken hydrophobic interactions. This is in contras...

  19. Diagnostics of Fast Axial Ions Produced in Deuterium Gas-Puff Z-Pinch

    Science.gov (United States)

    Rezac, K.; Klir, D.; Cikhardt, J.; Kubes, P.; Sila, O.; Kravarik, J.; Shishlov, A. V.; Labetsky, A. Yu.; Cherdizov, R. K.; Ratakhin, N. A.; Orcikova, H.; Turek, K.; Dudkin, N.; Padalko, V. N.; GIT-12 Team

    2016-10-01

    An unexpected advantage of some Z-pinch configurations is a possibility of an acceleration of ions to high energies. One of these configurations is a deuterium gas-puff with outer plasma shell, where hydrogen ions with energies up to 40 MeV has been observed during Z-pinch experiments on the GIT-12 generator since 2013. During the recent campaign in 2016, the source of high energetic ions and also parameters of ion pulses have been studied by various in-chamber diagnostics in 24 experimental shots on the current level below 3 MA. Principal aims were (i) to find a spatial distribution of ion sources, (ii) localization of ion sources on the z-axis and (iii) determine the ion energy spectra by an unfold technique. All of these has been done with the help of a new diagnostic setup consists of an ion pinhole camera, an ion 3-pinhole camera, a multi-pinhole camera and a detector of spatial ion beam profile. The ion diagnostics contained stacks with various absorbers, CR-39 track detectors, HD-V2 and EBT-3 radio-chromic films. One more aim, (iv) the study of a difference in production time of axial ion pulses with off-axis pulses, were accomplished by LiF samples and nTOF signals. This work was supported by the projects GACR 16-07036S, MSMT LD14089, CTU. SGS16/223/OHK3/3T/13, IAEA RC17088.

  20. Development of the scintillator-based probe for fast-ion losses in the HL-2A tokamak

    Science.gov (United States)

    Zhang, Y. P.; Liu, Yi; Luo, X. B.; Isobe, M.; Yuan, G. L.; Liu, Y. Q.; Hua, Y.; Song, X. Y.; Yang, J. W.; Li, X.; Chen, W.; Li, Y.; Yan, L. W.; Song, X. M.; Yang, Q. W.; Duan, X. R.

    2014-05-01

    A new scintillator-based lost fast-ion probe (SLIP) has been developed and operated in the HL-2A tokamak [L. W. Yan, X. R. Duan, X. T. Ding, J. Q. Dong, Q. W. Yang, Yi Liu, X. L. Zou, D. Q. Liu, W. M. Xuan, L. Y. Chen, J. Rao, X. M. Song, Y. Huang, W. C. Mao, Q. M. Wang, Q. Li, Z. Cao, B. Li, J. Y. Cao, G. J. Lei, J. H. Zhang, X. D. Li, W. Chen, J. Chen, C. H. Cui, Z. Y. Cui, Z. C. Deng, Y. B. Dong, B. B. Feng, Q. D. Gao, X. Y. Han, W. Y. Hong, M. Huang, X. Q. Ji, Z. H. Kang, D. F. Kong, T. Lan, G. S. Li, H. J. Li, Qing Li, W. Li, Y. G. Li, A. D. Liu, Z. T. Liu, C. W. Luo, X. H. Mao, Y. D. Pan, J. F. Peng, Z. B. Shi, S. D. Song, X. Y. Song, H. J. Sun, A. K. Wang, M. X. Wang, Y. Q. Wang, W. W. Xiao, Y. F. Xie, L. H. Yao, D. L. Yu, B. S. Yuan, K. J. Zhao, G. W. Zhong, J. Zhou, J. C. Yan, C. X. Yu, C. H. Pan, Y. Liu, and the HL-2A Team, Nucl. Fusion 51, 094016 (2011)] to measure the losses of neutral beam ions. The design of the probe is based on the concept of the α-particle detectors on Tokamak Fusion Test Reactor (TFTR) using scintillator plates. The probe is capable of traveling across an equatorial plane port and sweeping the aperture angle rotationally with respect to the axis of the probe shaft by two step motors, in order to optimize the radial position and the collimator angle. The energy and the pitch angle of the lost fast ions can be simultaneously measured if the two-dimensional image of scintillation light intensity due to the impact of the lost fast ions is detected. Measurements of the fast-ion losses using the probe have been performed during HL-2A neutral beam injection discharges. The clear experimental evidence of enhanced losses of beam ions during disruptions has been obtained by means of the SLIP system. A detailed description of the probe system and the first experimental results are reported.

  1. Jet acceleration of the fast molecular outflows in the Seyfert galaxy IC5063

    CERN Document Server

    Tadhunter, C; Rose, M; Oonk, J B R; Oosterloo, T

    2014-01-01

    Massive outflows driven by active galactic nuclei (AGN) are widely recognised to play a key role in the evolution of galaxies, heating the ambient gas, expelling it from the nuclear regions, and thereby affecting the star formation histories of the galaxy bulges. It has been proposed that the powerful jets of relativistic particles launched by some AGN can both accelerate and heat the molecular gas, which often dominates the mass budgets of the outflows. However, clear evidence for this mechanism in the form of detailed associations between the molecular gas kinematics and features in the radio-emitting jets has been lacking. Here we show that the warm molecular hydrogen gas in the western radio lobe of the Seyfert galaxy IC5063 is moving at high velocities - up to 600 km/s - relative to the galaxy disk. This suggests that the molecules have been accelerated by fast shocks driven into the interstellar medium (ISM) by the expanding radio jets. These results demonstrate the general feasibility of accelerating m...

  2. pso@autodock: a fast flexible molecular docking program based on Swarm intelligence.

    Science.gov (United States)

    Namasivayam, Vigneshwaran; Günther, Robert

    2007-12-01

    On the quest of novel therapeutics, molecular docking methods have proven to be valuable tools for screening large libraries of compounds determining the interactions of potential drugs with the target proteins. A widely used docking approach is the simulation of the docking process guided by a binding energy function. On the basis of the molecular docking program autodock, we present pso@autodock as a tool for fast flexible molecular docking. Our novel Particle Swarm Optimization (PSO) algorithms varCPSO and varCPSO-ls are suited for rapid docking of highly flexible ligands. Thus, a ligand with 23 rotatable bonds was successfully docked within as few as 100 000 computing steps (rmsd = 0.87 A), which corresponds to only 10% of the computing time demanded by autodock. In comparison to other docking techniques as gold 3.0, dock 6.0, flexx 2.2.0, autodock 3.05, and sodock, pso@autodock provides the smallest rmsd values for 12 in 37 protein-ligand complexes. The average rmsd value of 1.4 A is significantly lower then those obtained with the other docking programs, which are all above 2.0 A. Thus, pso@autodock is suggested as a highly efficient docking program in terms of speed and quality for flexible peptide-protein docking and virtual screening studies.

  3. Evolutionary traces decode molecular mechanism behind fast pace of myosin XI

    Directory of Open Access Journals (Sweden)

    Syamaladevi Divya P

    2011-09-01

    Full Text Available Abstract Background Cytoplasmic class XI myosins are the fastest processive motors known. This class functions in high-velocity cytoplasmic streaming in various plant cells from algae to angiosperms. The velocities at which they process are ten times faster than its closest class V homologues. Results To provide sequence determinants and structural rationale for the molecular mechanism of this fast pace myosin, we have compared the sequences from myosin class V and XI through Evolutionary Trace (ET analysis. The current study identifies class-specific residues of myosin XI spread over the actin binding site, ATP binding site and light chain binding neck region. Sequences for ET analysis were accumulated from six plant genomes, using literature based text search and sequence searches, followed by triple validation viz. CDD search, string-based searches and phylogenetic clustering. We have identified nine myosin XI genes in sorghum and seven in grape by sequence searches. Both the plants possess one gene product each belonging to myosin type VIII as well. During this process, we have re-defined the gene boundaries for three sorghum myosin XI genes using fgenesh program. Conclusion Molecular modelling and subsequent analysis of putative interactions involving these class-specific residues suggest a structural basis for the molecular mechanism behind high velocity of plant myosin XI. We propose a model of a more flexible switch I region that contributes to faster ADP release leading to high velocity movement of the algal myosin XI.

  4. Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Schwörer, Magnus; Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul, E-mail: paul.tavan@physik.uni-muenchen.de [Lehrstuhl für BioMolekulare Optik, Ludwig–Maximilians Universität München, Oettingenstr. 67, 80538 München (Germany)

    2015-03-14

    Recently, a novel approach to hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations has been suggested [Schwörer et al., J. Chem. Phys. 138, 244103 (2013)]. Here, the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 10{sup 3}-10{sup 5} molecules as negative gradients of a DFT/PMM hybrid Hamiltonian. The electrostatic interactions are efficiently described by a hierarchical fast multipole method (FMM). Adopting recent progress of this FMM technique [Lorenzen et al., J. Chem. Theory Comput. 10, 3244 (2014)], which particularly entails a strictly linear scaling of the computational effort with the system size, and adapting this revised FMM approach to the computation of the interactions between the DFT and PMM fragments of a simulation system, here, we show how one can further enhance the efficiency and accuracy of such DFT/PMM-MD simulations. The resulting gain of total performance, as measured for alanine dipeptide (DFT) embedded in water (PMM) by the product of the gains in efficiency and accuracy, amounts to about one order of magnitude. We also demonstrate that the jointly parallelized implementation of the DFT and PMM-MD parts of the computation enables the efficient use of high-performance computing systems. The associated software is available online.

  5. Studies on Molecular and Ion Transport in Silicalite Membranes and Applications as Ion Separator for Redox Flow Battery

    Science.gov (United States)

    Yang, Ruidong

    Microporous zeolite membranes have been widely studied for molecular separations based on size exclusion or preferential adsorption-diffusion mechanisms. The MFI-type zeolite membranes were also demonstrated for brine water desalination by molecular sieving effect. In this research, the pure silica MFI-type zeolite (i.e. silicalite) membrane has been for the first time demonstrated for selective permeation of hydrated proton (i.e. H3O+) in acidic electrolyte solutions. The silicalite membrane allows for permeation of H 3O+ ions, but is inaccessible to the large hydrated multivalent vanadium ions due to steric effect. The silicalite membrane has been further demonstrated as an effective ion separator in the all-vanadium redox flow battery (RFB).The silicalite is nonionic and its proton conductivity relies on the electric field-driven H3O+ transport through the sub nanometer-sized pores under the RFB operation conditions. The silicalite membrane displayed a significantly reduced self-discharge rate because of its high proton-to-vanadium ion transport selectivity. However, the nonionic nature of the silicalite membrane and very small diffusion channel size render low proton conductivity and is therefore inefficient as ion exchange membranes (IEMs) for practical applications. The proton transport efficiency may be improved by reducing the membrane thickness. However, the zeolite thin films are extremely fragile and must be supported on mechanically strong and rigid porous substrates. In this work, silicalite-Nafion composite membranes were synthesized to achieve a colloidal silicalite skin on the Nafion thin film base. The "colloidal zeolite-ionic polymer" layered composite membrane combines the advantages of high proton-selectivity of the zeolite layer and the mechanical flexibility and low proton transport resistance of the ionic polymer membrane. The composite membrane exhibited higher proton/vanadium ion separation selectivity and lower electrical resistance than

  6. Influence of primary ion bombardment conditions on the emission of molecular secondary ions

    Energy Technology Data Exchange (ETDEWEB)

    Kersting, R.; Hagenhoff, B.; Kollmer, F.; Moellers, R.; Niehuis, E

    2004-06-15

    In order to further our understanding of the secondary ion emission behavior from organic surfaces, we have performed a systematic study on the influence of the primary ion parameters. As model sample Irganox 1010 on low density polyethylene (LDPE) was used. Both monoatomic (Ga, Cs, Au) and polyatomic (Au{sub 2}, Au{sub 3}, SF{sub 5}, C{sub 60}) primary ions were used. Additionally, the primary ion energy was varied. The data were evaluated by calculating secondary ion yields, disappearance cross sections and ion formation efficiencies (yield/damage cross section). The results show that heavier monoatomic ions are more efficient than lighter ones and that polyatomic primary ions are more efficient than monoatomic ones. Highest efficiency values are found for C{sub 60} bombardment at 20 keV. Compared to Ga bombardment the efficiency gain in this case is more than 2000-fold. Additionally it can be shown that the higher efficiency is correlated with a softer ionization, i.e. less fragmentation. The results suggest a much more homogeneous energy distribution in the sample surface by polyatomic primary ions compared to monoatomic ones.

  7. Influence of primary ion bombardment conditions on the emission of molecular secondary ions

    Science.gov (United States)

    Kersting, R.; Hagenhoff, B.; Kollmer, F.; Möllers, R.; Niehuis, E.

    2004-06-01

    In order to further our understanding of the secondary ion emission behavior from organic surfaces, we have performed a systematic study on the influence of the primary ion parameters. As model sample Irganox 1010 on low density polyethylene (LDPE) was used. Both monoatomic (Ga, Cs, Au) and polyatomic (Au 2, Au 3, SF 5, C 60) primary ions were used. Additionally, the primary ion energy was varied. The data were evaluated by calculating secondary ion yields, disappearance cross sections and ion formation efficiencies (yield/damage cross section). The results show that heavier monoatomic ions are more efficient than lighter ones and that polyatomic primary ions are more efficient than monoatomic ones. Highest efficiency values are found for C 60 bombardment at 20 keV. Compared to Ga bombardment the efficiency gain in this case is more than 2000-fold. Additionally it can be shown that the higher efficiency is correlated with a softer ionization, i.e. less fragmentation. The results suggest a much more homogeneous energy distribution in the sample surface by polyatomic primary ions compared to monoatomic ones.

  8. 1-Pyrenecarboxaldehyde thiosemicarbazone:A novel fluorescent molecular sensor towards mercury(Ⅱ)ion

    Institute of Scientific and Technical Information of China (English)

    Xue Mei Wang; Hua Yan; Xin Lu Feng; Yong Chen

    2010-01-01

    A novel and simple fluorescent molecular sensor,1-pyrenecarboxaldehyde thiosemicarbazone(Hpytsc),was synthesized.Its higher sensitivity and selectivity to mercury(Ⅱ)ion were studied through absorption and emission channels.The UV-vis spectra show that the increasing mercury(Ⅱ)ion concentrations result in the decreasing absorption intensity.The fluorescence monomer emission of Hpytsc is enhanced upon binding mercury(Ⅱ)ion,which should be due to the 1:1 complex formation between Hpytsc and metal ion.

  9. Molecular microenvironments: Solvent interactions with nucleic acid bases and ions

    Science.gov (United States)

    Macelroy, R. D.; Pohorille, A.

    1986-01-01

    The possibility of reconstructing plausible sequences of events in prebiotic molecular evolution is limited by the lack of fossil remains. However, with hindsight, one goal of molecular evolution was obvious: the development of molecular systems that became constituents of living systems. By understanding the interactions among molecules that are likely to have been present in the prebiotic environment, and that could have served as components in protobiotic molecular systems, plausible evolutionary sequences can be suggested. When stable aggregations of molecules form, a net decrease in free energy is observed in the system. Such changes occur when solvent molecules interact among themselves, as well as when they interact with organic species. A significant decrease in free energy, in systems of solvent and organic molecules, is due to entropy changes in the solvent. Entropy-driven interactioins played a major role in the organization of prebiotic systems, and understanding the energetics of them is essential to understanding molecular evolution.

  10. Charting molecular composition of phosphatidylcholines by fatty acid scanning and ion trap MS3 fragmentation

    DEFF Research Database (Denmark)

    Ekroos, Kim; Ejsing, Christer S.; Bahr, Ute

    2003-01-01

    The molecular composition of phosphatidylcholines (PCs) in total lipid extracts was characterized by a combination of multiple precursor ion scanning on a hybrid quadrupole time-of-flight mass spectrometer and MS3 fragmentation on an ion trap mass spectrometer. Precursor ion spectra for 50 acyl...... spectrometer quantified the relative amount of their positional isomers, thus providing the most detailed and comprehensive characterization of the molecular composition of the pool of PCs at the low-picomole level. The method is vastly simplified, compared with conventional approaches, and does not require...... preliminary separation of lipid classes or of individual molecular species, enzymatic digestion, or chemical derivatization. The approach was validated by the comparative analysis of the molecular composition of PCs from human red blood cells. In the total lipid extract of Madin-Darby canine kidney II cells...

  11. Voltage-Sensitive Ion Channels Biophysics of Molecular Excitability

    CERN Document Server

    Leuchtag, H. Richard

    2008-01-01

    Voltage-sensitive ion channels are macromolecules embedded in the membranes of nerve and muscle fibers of animals. Because of their physiological functions, biochemical structures and electrical switching properties, they are at an intersection of biology, chemistry and physics. Despite decades of intensive research under the traditional approach of gated structural pores, the relation between the structure of these molecules and their function remains enigmatic. This book critically examines physically oriented approaches not covered in other ion-channel books. It looks at optical and thermal as well as electrical data, and at studies in the frequency domain as well as in the time domain. Rather than presenting the reader with only an option of mechanistic models at an inappropriate pseudo-macroscopic scale, it emphasizes concepts established in organic chemistry and condensed state physics. The book’s approach to the understanding of these unique structures breaks with the unproven view of ion channels as...

  12. Calculation Of Change-Changing Cross Sections Of IONS Or Atoms Colliding With Fast IONS Using The Classical Trajectory Method

    Energy Technology Data Exchange (ETDEWEB)

    Kaganovich, I. D., Shnidman, Ariel, Mebane, Harrison, Davidson, R.C.

    2008-10-10

    Evaluation of ion-atom charge-changing cross sections is needed for many accelerator applications. A classical trajectory Monte Carlo (CTMC) simulation has been used to calculate ionization and charge exchange cross sections. For benchmarking purposes, an extensive study has been performed for the simple case of hydrogen and helium targets in collisions with various ions. Despite the fact that the simulation only accounts for classical mechanics, the calculations are comparable to experimental results for projectile velocities in the region corresponding to the vicinity of the maximum cross section. Shortcomings of the CTMC method for multielectron target atoms are discussed.

  13. Elucidating the Molecular Deformation Mechanism of Entangled Polymers in Fast Flow by Small Angle Neutron Scattering

    Science.gov (United States)

    Wang, Yangyang; Sanchez-Diaz, Luis; Cheng, Shiwang; Hong, Kunlun; Chen, Wei-Ren; Liu, Jianning; Lin, Panpan; Wang, Shi-Qing

    Understanding the viscoelastic properties of polymers is of fundamental and practical importance because of the vast and ever expanding demand of polymeric materials in daily life. Our current theoretical framework for describing the nonlinear flow behavior of entangled polymers is built upon the tube model pioneered by de Gennes, Doi, and Edwards. In this work, we critically examine the central hypothesis of the tube model for nonlinear rheology using small angle neutron scattering (SANS). While the tube model envisions a unique non-affine elastic deformation mechanism for entangled polymers, our SANS measurements show that the evolution of chain conformation of a well-entangled polystyrene melt closely follows the affine deformation mechanism in uniaxial extension, even when the Rouse Weissenberg number is much smaller than unity. This result provides a key clue for understanding the molecular deformation mechanism of entangled polymers in fast flow. Several implications from our analysis will be discussed in this talk.

  14. Molecular transformations in sarcoplasmic reticulum of fast-twitch muscle by electro-stimulation.

    Science.gov (United States)

    Heilmann, C; Pette, D

    1979-02-01

    Chronic electro-stimulation of fast-twitch rabbit muscle with the frequency pattern received by a slow-twitch muscle induces a progressive transformation of the sarcoplasmic reticulum. After 2 days stimulation activities of Ca2+-dependent ATPase and of Ca2+ transport begin to decrease, and are paralleled by a progressive decrease in Ca2+-dependent and Ca2+, Mg2+-dependent phosphoprotein formation, reduced rate of dephosphorylation and a rearrangement of the electrophoretic polypeptide and phosphoprotein patterns. These findings suggest a transformation of the sarcoplasmic reticulum to resemble that of a slow-twitch muscle. This transformation is paralleled by increase in time-to-peak of twitch contraction and half relaxation time and occurs before conversion of the myosin light chain pattern is observed. The parallel time course of changes in contractile properties of stimulated muscle and the molecular and functional properties of the sarcoplasmic reticulum emphasizes the definitive role of the latter in determining the twitch characteristics of fast and slow twitch muscles.

  15. Nonlinear fast magnetoacoustic wave interaction with 2D magnetic X-points in the ion cyclotron range of frequencies

    CERN Document Server

    Threlfall, J W; De Moortel, I; McClements, K G; Arber, T D

    2012-01-01

    Context. This paper investigates the role of the Hall term in the propagation and dissipation of waves which interact with 2D magnetic X-points and considers the effect of the Hall term on the nature of the resulting reconnection. Aims. The goal is to determine how the evolution of a nonlinear fast magnetoacoustic wave pulse, and the behaviour of the oscillatory reconnection which results from the interaction of the pulse with a line-tied 2D magnetic X-point, is affected by the Hall term in the generalised Ohm's law. Methods. A Lagrangian remap shock-capturing code (Lare2d) is used to study the evolution of an initial fast magnetoacoustic wave annulus for a range of values of the ion skin depth (di) in resistive Hall MHD. A magnetic null-point finding algorithm is also used to locate and track the evolution of the multiple null-points that are formed in the system. Results. In general, the fast wave is coupled to a shear wave and, for finite di, to whistler and ion cyclotron waves. Dispersive whistler effects...

  16. Molecular modeling of mechanosensory ion channel structural and functional features.

    Science.gov (United States)

    Gessmann, Renate; Kourtis, Nikos; Petratos, Kyriacos; Tavernarakis, Nektarios

    2010-09-16

    The DEG/ENaC (Degenerin/Epithelial Sodium Channel) protein family comprises related ion channel subunits from all metazoans, including humans. Members of this protein family play roles in several important biological processes such as transduction of mechanical stimuli, sodium re-absorption and blood pressure regulation. Several blocks of amino acid sequence are conserved in DEG/ENaC proteins, but structure/function relations in this channel class are poorly understood. Given the considerable experimental limitations associated with the crystallization of integral membrane proteins, knowledge-based modeling is often the only route towards obtaining reliable structural information. To gain insight into the structural characteristics of DEG/ENaC ion channels, we derived three-dimensional models of MEC-4 and UNC-8, based on the available crystal structures of ASIC1 (Acid Sensing Ion Channel 1). MEC-4 and UNC-8 are two DEG/ENaC family members involved in mechanosensation and proprioception respectively, in the nematode Caenorhabditis elegans. We used these models to examine the structural effects of specific mutations that alter channel function in vivo. The trimeric MEC-4 model provides insight into the mechanism by which gain-of-function mutations cause structural alterations that result in increased channel permeability, which trigger cell degeneration. Our analysis provides an introductory framework to further investigate the multimeric organization of the DEG/ENaC ion channel complex.

  17. Molecular modeling of mechanosensory ion channel structural and functional features.

    Directory of Open Access Journals (Sweden)

    Renate Gessmann

    Full Text Available The DEG/ENaC (Degenerin/Epithelial Sodium Channel protein family comprises related ion channel subunits from all metazoans, including humans. Members of this protein family play roles in several important biological processes such as transduction of mechanical stimuli, sodium re-absorption and blood pressure regulation. Several blocks of amino acid sequence are conserved in DEG/ENaC proteins, but structure/function relations in this channel class are poorly understood. Given the considerable experimental limitations associated with the crystallization of integral membrane proteins, knowledge-based modeling is often the only route towards obtaining reliable structural information. To gain insight into the structural characteristics of DEG/ENaC ion channels, we derived three-dimensional models of MEC-4 and UNC-8, based on the available crystal structures of ASIC1 (Acid Sensing Ion Channel 1. MEC-4 and UNC-8 are two DEG/ENaC family members involved in mechanosensation and proprioception respectively, in the nematode Caenorhabditis elegans. We used these models to examine the structural effects of specific mutations that alter channel function in vivo. The trimeric MEC-4 model provides insight into the mechanism by which gain-of-function mutations cause structural alterations that result in increased channel permeability, which trigger cell degeneration. Our analysis provides an introductory framework to further investigate the multimeric organization of the DEG/ENaC ion channel complex.

  18. Thermodynamics and kinetics of ion speciation in supercritical aqueous solutions: A molecular based study

    Energy Technology Data Exchange (ETDEWEB)

    Chialvo, A.A.; Cummings, P.T. [Tennessee Univ., Knoxville, TN (United States). Dept. of Chemical Engineering]|[Oak Ridge National Lab., TN (United States); Simonson, J.M.; Mesmer, R.E. [Oak Ridge National Lab., TN (United States)

    1997-05-01

    Molecular simulation of infinitely dilute NaCl aqueous solutions are performed to study the Na{sup +}/Cl{sup -} ion pairing in a polarizable and a nonpolarizable solvent at supercritical conditions. The Simple Point Charge, Pettitt-Rossky, and Fumi-Tosi models for the water-water, ion-water, and ion-ion interactions are used in determining the degree of dissociation, its temperature and density dependence, and the kinetics of the interconversion between ion-pair configurations in a nonpolarizable medium. To assess the effect of the solvent polarizability on the stability of the ion-pair configurations, we replace the Simple Point Charge by the Polarizable Point Charge water model and determine the anion-cation potential of mean force at T{sub r}=1.20 and {rho}{sub r}=1.5.

  19. AN EFFICIENT HIGHER-ORDER FAST MULTIPOLE BOUNDARY ELEMENT SOLUTION FOR POISSON-BOLTZMANN BASED MOLECULAR ELECTROSTATICS

    Science.gov (United States)

    Bajaj, Chandrajit; Chen, Shun-Chuan; Rand, Alexander

    2011-01-01

    In order to compute polarization energy of biomolecules, we describe a boundary element approach to solving the linearized Poisson-Boltzmann equation. Our approach combines several important features including the derivative boundary formulation of the problem and a smooth approximation of the molecular surface based on the algebraic spline molecular surface. State of the art software for numerical linear algebra and the kernel independent fast multipole method is used for both simplicity and efficiency of our implementation. We perform a variety of computational experiments, testing our method on a number of actual proteins involved in molecular docking and demonstrating the effectiveness of our solver for computing molecular polarization energy. PMID:21660123

  20. Higher order Larmor radius corrections to guiding-centre equations and application to fast ion equilibrium distributions

    Science.gov (United States)

    Lanthaler, S.; Pfefferlé, D.; Graves, J. P.; Cooper, W. A.

    2017-04-01

    An improved set of guiding-centre equations, expanded to one order higher in Larmor radius than usually written for guiding-centre codes, are derived for curvilinear flux coordinates and implemented into the orbit following code VENUS-LEVIS. Aside from greatly improving the correspondence between guiding-centre and full particle trajectories, the most important effect of the additional Larmor radius corrections is to modify the definition of the guiding-centre’s parallel velocity via the so-called Baños drift. The correct treatment of the guiding-centre push-forward with the Baños term leads to an anisotropic shift in the phase-space distribution of guiding-centres, consistent with the well-known magnetization term. The consequence of these higher order terms are quantified in three cases where energetic ions are usually followed with standard guiding-centre equations: (1) neutral beam injection in a MAST-like low aspect-ratio spherical equilibrium where the fast ion driven current is significantly larger with respect to previous calculations, (2) fast ion losses due to resonant magnetic perturbations where a lower lost fraction and a better confinement is confirmed, (3) alpha particles in the ripple field of the European DEMO where the effect is found to be marginal.

  1. Synthesis and characterization of novel ion-imprinted polymeric nanoparticles for very fast and highly selective recognition of copper(II) ions.

    Science.gov (United States)

    Shamsipur, Mojtaba; Besharati-Seidani, Abbas; Fasihi, Javad; Sharghi, Hashem

    2010-12-15

    This work reports the preparation of new Cu(2+) ion-imprinted polymeric nanoparticles using 1-hydroxy-4-(prop-2'-enyloxy)-9,10-anthraquinone (AQ) as a vinylated chelating agent. The Cu(2+) ion found to form a stable 1:1 complex with AQ in methanol solution. The resulting Cu(2+)-AQ complex was copolymerized with ethyleneglycol dimethacrylate, as a cross-linking monomer, via precipitation polymerization method. The imprint copper ion was removed from the polymeric matrix using a 0.1 mol L(-1) HNO(3) solution. The Cu(2+)-imprinted polymeric nanoparticles were characterized by IR spectroscopy, scanning electron microscopy (SEM) and N(2) adsorption-desorption isotherms. The SEM micrographs showed colloidal nanoparticles of 60-100 nm in diameter and slightly irregular in shape. Optimum pH for maximum sorption was 7.0. Sorption and desorption of Cu(2+) ion on the IIP nanoparticles were quite fast and achieved completely over entire investigated time periods of 2-30 min. Maximum sorbent capacity and enrichment factor of the prepared IIP for Cu(2+) were 73.8 μmol g(-1) and 56.5, respectively. The relative standard deviation and limit of detection (C(LOD)=3S(b)/m) of the method were evaluated as 2.6% and 0.1 ng mL(-1), using inductively coupled plasma-atomic emission spectrometry, respectively. It was found that the imprinting technology results in increased affinity of the prepared material toward Cu(2+) ion over other metal ions with the same charge and close ionic radius. The relative standard deviations for six and twenty replicates with the same nanoparticles were found to be 1.7% and 2.1%, respectively. Copyright © 2010 Elsevier B.V. All rights reserved.

  2. Investigation of the silicon ion density during molecular beam epitaxy growth

    Science.gov (United States)

    Eifler, G.; Kasper, E.; Ashurov, Kh.; Morozov, S.

    2002-05-01

    Ions impinging on a surface during molecular beam epitaxy influence the growth and the properties of the growing layer, for example, suppression of dopant segregation and the generation of crystal defects. The silicon electron gun in the molecular beam epitaxy (MBE) equipment is used as a source for silicon ions. To use the effect of ion bombardment the mechanism of generation and distribution of ions was investigated. A monitoring system was developed and attached at the substrate position in the MBE growth chamber to measure the ion and electron densities towards the substrate. A negative voltage was applied to the substrate to modify the ion energy and density. Furthermore the current caused by charge carriers impinging on the substrate was measured and compared with the results of the monitoring system. The electron and ion densities were measured by varying the emission current of the e-gun achieving silicon growth rates between 0.07 and 0.45 nm/s and by changing the voltage applied to the substrate between 0 to -1000 V. The dependencies of ion and electron densities were shown and discussed within the framework of a simple model. The charged carrier densities measured with the monitoring system enable to separate the ion part of the substrate current and show its correlation to the generation rate. Comparing the ion density on the whole substrate and in the center gives a hint to the ion beam focusing effect. The maximum ion and electron current densities obtained were 0.40 and 0.61 μA/cm2, respectively.

  3. A rotating directional probe for the measurements of fast ion losses and plasma rotation at Tokamak Experiment for Technology Oriented Research.

    Science.gov (United States)

    Rack, M; Liang, Y; Jaegers, H; Assmann, J; Satheeswaran, G; Xu, Y; Pearson, J; Yang, Y; Denner, P; Zeng, L

    2013-08-01

    This work discusses a new directional probe designed for measurements of fast ion losses and the plasma rotation with a high angular resolution in magnetically confined plasmas. Directional and especially Mach probes are commonly used diagnostics for plasma flow measurements, and their applicability for the fast ion losses detection has been demonstrated. A limitation of static Mach probes is their low angular resolution. At the Tokamak Experiment for Technology Oriented Research, the angular resolution is strongly restricted by the finite number of available measurement channels. In a dynamic plasma, where instabilities can lead to local changes of the field line pitch-angle, plasma flow, or fast ion losses, a low angular resolution makes a precise data analysis difficult and reduces the quality of the measured data. The new probe design, the rotating directional probe, combines the features of early directional probes and Mach probes. It consists of two radially aligned arrays of nine Langmuir probe pins with each array facing opposite directions. During the measurement the probe head rotates along its axis to measure the ion saturation current from all directions. As a result, the rotating directional probe simultaneously provides an angular dependent plasma flow and fast ion losses measurement at different radial positions. Based on the angular dependent data, a precise determination of the current density is made. In addition, the simultaneous measurement of the ion saturation current at different radial positions allows for resolving radially varying field line pitch-angles and identifying the radial dynamic of processes like fast ion losses.

  4. Ion Fast Ignition-Establishing a Scientific Basis for Inertial Fusion Energy --- Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Stephens, Richard Burnite [General Atomics; Foord, Mark N. [Lawrence Livermore National Laboratory; Wei, Mingsheng [General Atomics; Beg, Farhat N. [University of California, San Diego; Schumacher, Douglass W. [The Ohio State University

    2013-10-31

    The Fast Ignition (FI) Concept for Inertial Confinement Fusion (ICF) has the potential to provide a significant advance in the technical attractiveness of Inertial Fusion Energy reactors. FI differs from conventional ?central hot spot? (CHS) target ignition by decoupling compression from heating: using a laser (or heavy ion beam or Z pinch) drive pulse (10?s of nanoseconds) to create a dense fuel and a second, much shorter (~10 picoseconds) high intensity pulse to ignite a small volume within the dense fuel. The compressed fuel is opaque to laser light. The ignition laser energy must be converted to a jet of energetic charged particles to deposit energy in the dense fuel. The original concept called for a spray of laser-generated hot electrons to deliver the energy; lack of ability to focus the electrons put great weight on minimizing the electron path. An alternative concept, proton-ignited FI, used those electrons as intermediaries to create a jet of protons that could be focused to the ignition spot from a more convenient distance. Our program focused on the generation and directing of the proton jet, and its transport toward the fuel, none of which were well understood at the onset of our program. We have developed new experimental platforms, diagnostic packages, computer modeling analyses, and taken advantage of the increasing energy available at laser facilities to create a self-consistent understanding of the fundamental physics underlying these issues. Our strategy was to examine the new physics emerging as we added the complexity necessary to use proton beams in an inertial fusion energy (IFE) application. From the starting point of a proton beam accelerated from a flat, isolated foil, we 1) curved it to focus the beam, 2) attached the foil to a superstructure, 3) added a side sheath to protect it from the surrounding plasma, and finally 4) studied the proton beam behavior as it passed through a protective end cap into plasma. We built up, as we proceeded

  5. Ion Fast Ignition-Establishing a Scientific Basis for Inertial Fusion Energy --- Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Stephens, Richard Burnite [General Atomics; Foord, Mark N. [Lawrence Livermore National Laboratory; Wei, Mingsheng [General Atomics; Beg, Farhat N. [University of California, San Diego; Schumacher, Douglass W. [The Ohio State University

    2013-10-31

    The Fast Ignition (FI) Concept for Inertial Confinement Fusion (ICF) has the potential to provide a significant advance in the technical attractiveness of Inertial Fusion Energy reactors. FI differs from conventional ?central hot spot? (CHS) target ignition by decoupling compression from heating: using a laser (or heavy ion beam or Z pinch) drive pulse (10?s of nanoseconds) to create a dense fuel and a second, much shorter (~10 picoseconds) high intensity pulse to ignite a small volume within the dense fuel. The compressed fuel is opaque to laser light. The ignition laser energy must be converted to a jet of energetic charged particles to deposit energy in the dense fuel. The original concept called for a spray of laser-generated hot electrons to deliver the energy; lack of ability to focus the electrons put great weight on minimizing the electron path. An alternative concept, proton-ignited FI, used those electrons as intermediaries to create a jet of protons that could be focused to the ignition spot from a more convenient distance. Our program focused on the generation and directing of the proton jet, and its transport toward the fuel, none of which were well understood at the onset of our program. We have developed new experimental platforms, diagnostic packages, computer modeling analyses, and taken advantage of the increasing energy available at laser facilities to create a self-consistent understanding of the fundamental physics underlying these issues. Our strategy was to examine the new physics emerging as we added the complexity necessary to use proton beams in an inertial fusion energy (IFE) application. From the starting point of a proton beam accelerated from a flat, isolated foil, we 1) curved it to focus the beam, 2) attached the foil to a superstructure, 3) added a side sheath to protect it from the surrounding plasma, and finally 4) studied the proton beam behavior as it passed through a protective end cap into plasma. We built up, as we proceeded

  6. Theory of ion transport with fast acid-base equilibrations in bioelectrochemical systems

    NARCIS (Netherlands)

    Dykstra, J.E.; Biesheuvel, P.M.; Bruning, H.; Heijne, ter A.

    2014-01-01

    Bioelectrochemical systems recover valuable components and energy in the form of hydrogen or electricity from aqueous organic streams. We derive a one-dimensional steady-state model for ion transport in a bioelectrochemical system, with the ions subject to diffusional and electrical forces. Since mo

  7. Fast atom diffraction inside a molecular beam epitaxy chamber, a rich combination

    Science.gov (United States)

    Debiossac, M.; Atkinson, P.; Zugarramurdi, A.; Eddrief, M.; Finocchi, F.; Etgens, V. H.; Momeni, A.; Khemliche, H.; Borisov, A. G.; Roncin, P.

    2017-01-01

    Two aspects of the contribution of grazing incidence fast atom diffraction (GIFAD) to molecular beam epitaxy (MBE) are reviewed here: the ability of GIFAD to provide in-situ a precise description of the atomic-scale surface topology, and its ability to follow larger-scale changes in surface roughness during layer-by-layer growth. Recent experimental and theoretical results obtained for the He atom beam incident along the highly corrugated [ 1 1 bar 0 ] direction of the β2(2 × 4) reconstructed GaAs(001) surface are summarized. We also discuss the measurements and calculations for the beam incidence along the weakly corrugated [010] direction where a periodicity twice smaller than expected is observed. The combination of the experiment, quantum scattering matrix calculations, and semiclassical analysis allows structural characteristics of the surface to be revealed. For the in situ measurements of GIFAD during molecular beam epitaxy of GaAs on GaAs surface we analyze the change in elastic and inelastic contributions in the scattered beam, and the variation of the diffraction pattern in polar angle scattering. This analysis outlines the robustness, the simplicity and the richness of the GIFAD as a technique to monitor the layer-by-layer epitaxial growth.

  8. Fast space-filling molecular graphics using dynamic partitioning among parallel processors.

    Science.gov (United States)

    Gertner, B J; Whitnell, R M; Wilson, K R

    1991-09-01

    We present a novel algorithm for the efficient generation of high-quality space-filling molecular graphics that is particularly appropriate for the creation of the large number of images needed in the animation of molecular dynamics. Each atom of the molecule is represented by a sphere of an appropriate radius, and the image of the sphere is constructed pixel-by-pixel using a generalization of the lighting model proposed by Porter (Comp. Graphics 1978, 12, 282). The edges of the spheres are antialiased, and intersections between spheres are handled through a simple blending algorithm that provides very smooth edges. We have implemented this algorithm on a multiprocessor computer using a procedure that dynamically repartitions the effort among the processors based on the CPU time used by each processor to create the previous image. This dynamic reallocation among processors automatically maximizes efficiency in the face of both the changing nature of the image from frame to frame and the shifting demands of the other programs running simultaneously on the same processors. We present data showing the efficiency of this multiprocessing algorithm as the number of processors is increased. The combination of the graphics and multiprocessor algorithms allows the fast generation of many high-quality images.

  9. Fast Quantum Molecular Dynamics Simulations of Shock-induced Chemistry in Organic Liquids

    Science.gov (United States)

    Cawkwell, Marc

    2014-03-01

    The responses of liquid formic acid and phenylacetylene to shock compression have been investigated via quantum-based molecular dynamics simulations with the self-consistent tight-binding code LATTE. Microcanonical Born-Oppenheimer trajectories with precise conservation of the total energy were computed without relying on an iterative self-consistent field optimization of the electronic degrees of freedom at each time step via the Fast Quantum Mechanical Molecular Dynamics formalism [A. M. N. Niklasson and M. J. Cawkwell, Phys. Rev. B, 86, 174308 (2012)]. The conservation of the total energy in our trajectories was pivotal for the capture of adiabatic shock heating as well as temperature changes arising from endo- or exothermic chemistry. Our self-consistent tight-binding parameterizations yielded very good predictions for the gas-phase geometries of formic acid and phenylacetylene molecules and the principal Hugoniots of the liquids. In accord with recent flyer-plate impact experiments, our simulations revealed i) that formic acid reacts at relatively low impact pressures but with no change in volume between products and reactants, and ii) a two-step polymerization process for phenylacetylene. Furthermore, the evolution of the HOMO-LUMO gap tracked on-the-fly during our simulations could be correlated with changes transient absorption measured during laser-driven shock compression experiments on these liquids.

  10. Effect of initial ion positions on the interactions of monovalent and divalent ions with a DNA duplex as revealed with atomistic molecular dynamics simulations.

    Science.gov (United States)

    Robbins, Timothy J; Wang, Yongmei

    2013-01-01

    Monovalent (Na(+)) and divalent (Mg(2+)) ion distributions around the Dickerson-Drew dodecamer were studied by atomistic molecular dynamics (MD) simulations with AMBER molecular modeling software. Different initial placements of ions were tried and the resulting effects on the ion distributions around DNA were investigated. For monovalent ions, results were found to be nearly independent of initial cation coordinates. However, Mg(2+) ions demonstrated a strong initial coordinate dependent behavior. While some divalent ions initially placed near the DNA formed essentially permanent direct coordination complexes with electronegative DNA atoms, Mg(2+) ions initially placed further away from the duplex formed a full, nonexchanging, octahedral first solvation shell. These fully solvated cations were still capable of binding with DNA with events lasting up to 20 ns, and in comparison were bound much longer than Na(+) ions. Force field parameters were also investigated with modest and little differences arising from ion (ions94 and ions08) and nucleic acid description (ff99, ff99bsc0, and ff10), respectively. Based on known Mg(2+) ion solvation structure, we conclude that in most cases Mg(2+) ions retain their first solvation shell, making only solvent-mediated contacts with DNA duplex. The proper way to simulate Mg(2+) ions around DNA duplex, therefore, should begin with ions placed in the bulk water.

  11. New methods for high current fast ion beam production by laser-driven acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Margarone, D.; Krasa, J.; Prokupek, J.; Velyhan, A.; Laska, L.; Jungwirth, K.; Mocek, T.; Korn, G.; Rus, B. [Institute of Physics, ASCR, v.v.i., PALS Centre, Prague (Czech Republic); Torrisi, L.; Gammino, S.; Cirrone, P.; Cutroneo, M.; Romano, F. [INFN-Laboratori Nazionali del Sud, Catania, Messina University (Italy); Picciotto, A.; Serra, E. [Fondazione Bruno Kessler - IRST, Trento (Italy); Giuffrida, L. [CELIA, Centre Lasers Intenses et Applications (France); Mangione, A. [ITA - Istituto Tecnologie Avanzate, Trapani (Italy); Rosinski, M.; Parys, P. [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); and others

    2012-02-15

    An overview of the last experimental campaigns on laser-driven ion acceleration performed at the PALS facility in Prague is given. Both the 2 TW, sub-nanosecond iodine laser system and the 20 TW, femtosecond Ti:sapphire laser, recently installed at PALS, are used along our experiments performed in the intensity range 10{sup 16}-10{sup 19} W/cm{sup 2}. The main goal of our studies was to generate high energy, high current ion streams at relatively low laser intensities. The discussed experimental investigations show promising results in terms of maximum ion energy and current density, which make the laser-accelerated ion beams a candidate for new-generation ion sources to be employed in medicine, nuclear physics, matter physics, and industry.

  12. New methods for high current fast ion beam production by laser-driven accelerationa)

    Science.gov (United States)

    Margarone, D.; Krasa, J.; Prokupek, J.; Velyhan, A.; Torrisi, L.; Picciotto, A.; Giuffrida, L.; Gammino, S.; Cirrone, P.; Cutroneo, M.; Romano, F.; Serra, E.; Mangione, A.; Rosinski, M.; Parys, P.; Ryc, L.; Limpouch, J.; Laska, L.; Jungwirth, K.; Ullschmied, J.; Mocek, T.; Korn, G.; Rus, B.

    2012-02-01

    An overview of the last experimental campaigns on laser-driven ion acceleration performed at the PALS facility in Prague is given. Both the 2 TW, sub-nanosecond iodine laser system and the 20 TW, femtosecond Ti:sapphire laser, recently installed at PALS, are used along our experiments performed in the intensity range 1016-1019 W/cm2. The main goal of our studies was to generate high energy, high current ion streams at relatively low laser intensities. The discussed experimental investigations show promising results in terms of maximum ion energy and current density, which make the laser-accelerated ion beams a candidate for new-generation ion sources to be employed in medicine, nuclear physics, matter physics, and industry.

  13. New methods for high current fast ion beam production by laser-driven acceleration.

    Science.gov (United States)

    Margarone, D; Krasa, J; Prokupek, J; Velyhan, A; Torrisi, L; Picciotto, A; Giuffrida, L; Gammino, S; Cirrone, P; Cutroneo, M; Romano, F; Serra, E; Mangione, A; Rosinski, M; Parys, P; Ryc, L; Limpouch, J; Laska, L; Jungwirth, K; Ullschmied, J; Mocek, T; Korn, G; Rus, B

    2012-02-01

    An overview of the last experimental campaigns on laser-driven ion acceleration performed at the PALS facility in Prague is given. Both the 2 TW, sub-nanosecond iodine laser system and the 20 TW, femtosecond Ti:sapphire laser, recently installed at PALS, are used along our experiments performed in the intensity range 10(16)-10(19) W∕cm(2). The main goal of our studies was to generate high energy, high current ion streams at relatively low laser intensities. The discussed experimental investigations show promising results in terms of maximum ion energy and current density, which make the laser-accelerated ion beams a candidate for new-generation ion sources to be employed in medicine, nuclear physics, matter physics, and industry.

  14. Pulse combustion reactor as a fast and scalable synthetic method for preparation of Li-ion cathode materials

    Science.gov (United States)

    Križan, Gregor; Križan, Janez; Dominko, Robert; Gaberšček, Miran

    2017-09-01

    In this work a novel pulse combustion reactor method for preparation of Li-ion cathode materials is introduced. Its advantages and potential challenges are demonstrated on two widely studied cathode materials, LiFePO4/C and Li-rich NMC. By exploiting the nature of efficiency of pulse combustion we have successfully established a slightly reductive or oxidative environment necessary for synthesis. As a whole, the proposed method is fast, environmentally friendly and easy to scale. An important advantage of the proposed method is that it preferentially yields small-sized powders (in the nanometric range) at a fast production rate of 2 s. A potential disadvantage is the relatively high degree of disorder of synthesized active material which however can be removed using a post-annealing step. This additional step allows a further tuning of materials morphology as shown and commented in some detail.

  15. Changes in the molecular ion yield and fragmentation of peptides under various primary ions in ToF-SIMS and matrix-enhanced ToF-SIMS.

    Science.gov (United States)

    Körsgen, Martin; Tyler, Bonnie J; Pelster, Andreas; Lipinsky, Dieter; Dreisewerd, Klaus; Arlinghaus, Heinrich F

    2016-06-01

    Time of flight secondary ion mass spectrometry (ToF-SIMS) is a powerful technique for the nanoanalysis of biological samples, but improvements in sensitivity are needed in order to detect large biomolecules, such as peptides, on the individual cell level at physiological concentrations. Two promising options to improve the sensitivity of SIMS to large peptides are the use of cluster primary ions to increase desorption of intact molecules or the use of matrix-assisted laser desorption/ionization (MALDI) matrices to increase the ionization probability. In this paper, the authors have combined these two approaches in order to improve understanding of the interaction between ionization and fragmentation processes. The peptides bradykinin and melittin were prepared as neat monolayers on silicon, in a Dextran-40 matrix and in two common MALDI matrices, 2,5-dihydroxybenzoic acid (DHB) and α-cyano-4-hydroxy cinnamic acid (HCCA). ToF-SIMS spectra of these samples were collected using a range of small Bi cluster primary ions and large Ar cluster primary ions. The trends observed in the molecular ion yield and the [M+H](+)/C4H8N(+) ratio with primary ion cluster size were sample system dependent. The molecular ion yield of the bradykinin was maximized by using 30 keV Bi3 (+) primary ions in a DHB matrix but in the HCCA matrix, the maximum molecular ion yield was obtained by using 30 keV Bi7 (+) primary ions. In contrast, the molecular ion yield for melittin in both matrices was greatest using 20 keV Ar2000 (+) primary ions. Improvements in the molecular ion yield were only loosely correlated with a decrease in small fragment ions. The data indicate a complex interplay between desorption processes and ion formation processes which mean that the optimal analytical conditions depend on both the target analyte and the matrix.

  16. Li ion diffusion mechanisms in LiFePO4: an ab initio molecular dynamics study.

    Science.gov (United States)

    Yang, Jianjun; Tse, John S

    2011-11-17

    The mechanisms for thermal (self) diffusion of Li ions in fully lithiated LiFePO(4) have been investigated with spin polarized ab initio molecular dynamics calculations. The effect of electron correlation is taken into account with the GGA+U formalism. It was found that Li ion diffusion is not a continuous process but through a series of jumps from one site to another. A dominant process is the hopping between neighboring Li sites around the PO(4) groups, which results in a zigzag pathway along the crystallographic b-axis. This observation is in agreement with a recent neutron diffraction experiment. A second process involves the collaborative movements of the Fe ions leading to the formation of antisite defects and promotes Li diffusion across the Li ion channels. The finding of the second mechanism demonstrates the benefit of ab initio molecular dynamics simulation in sampling diffusion pathways that may not be anticipated.

  17. EFDA Task TW6-TPDS-DIADEV deliverable 2: ITER Fast Ion Collective Scattering Development of diagnostic components and techniques

    DEFF Research Database (Denmark)

    Michelsen, S.; Bindslev, Henrik; Korsholm, Søren Bang;

    field side and one on the high field side, it is possible to resolve the distribution function of fast ions both for perpendicular and parallel velocities with good spatial and temporal resolution. The present work concerned a continuation of this work, and the following tasks were performed. 1...... experiment was set up in order to test and support the theoretical and numerical results. From the design studies various R&D issues critical to the viability of the CTS diagnostic on ITER were identified; the most urgent ones are addressed in the presented R&D tasks....

  18. Fast ion induced shearing of 2D Alfvén eigenmodes measured by electron cyclotron emission imaging.

    Science.gov (United States)

    Tobias, B J; Classen, I G J; Domier, C W; Heidbrink, W W; Luhmann, N C; Nazikian, R; Park, H K; Spong, D A; Van Zeeland, M A

    2011-02-18

    Two-dimensional images of electron temperature perturbations are obtained with electron cyclotron emission imaging (ECEI) on the DIII-D tokamak and compared to Alfvén eigenmode structures obtained by numerical modeling using both ideal MHD and hybrid MHD-gyrofluid codes. While many features of the observations are found to be in excellent agreement with simulations using an ideal MHD code (NOVA), other characteristics distinctly reveal the influence of fast ions on the mode structures. These features are found to be well described by the nonperturbative hybrid MHD-gyrofluid model TAEFL.

  19. High-resolution X-ray study of the multiple ionization of Pd atoms by fast oxygen ions

    OpenAIRE

    Czarnota, M.; Banaś, D; Berset, Michel; Chmielewska, D; Dousse, Jean-Claude; Hoszowska, Joanna; Maillard, Yves-Patrick; Mauron, Olivier; Pajek, M.; Polasik, M.; Raboud, Pierre-Alexandre; Rzadkiewicz, J.; Słabkowska, K.; Sujkowski, Z.

    2010-01-01

    The multiple ionization of the L- and M-shells of Pd by fast oxygen ions has been studied by measuring with high-resolution the satellite structures of the Lα1,2 X-ray transitions. Relativistic multi-configuration Dirac-Fock (MCDF) calculations were used to interpret the complex X-ray spectrum, allowing to derive the number of L- and M-shell spectator vacancies at the moment of the X-ray emission. After correcting these numbers for the atomic vacancy rearrangement processes that take place pr...

  20. Scaling of cross-sections for asymmetric (, 3) process on helium-like ions by fast electrons

    Indian Academy of Sciences (India)

    M K Srivastava

    2004-11-01

    An approximate simple scaling law is obtained for asymmetric (, 3) process on helium-like ions for double ionization by fast electrons. It is based on the equation $(Z'^{3} /)$ exp$[−Z' (r_{1} + r_{2})]$, $Z' = Z − (5/16)$ for ground state wave function of helium- like ions and $Z'^{2}$ scaling of energies. The scaling law is found to work very well if the lower energy electron is ejected along the momentum transfer direction and the other one is ejected in the opposite direction. It also works quite well if this electron is ejected within about 90° of the momentum transfer direction with the other electron going in the opposite direction. The scaling law becomes increasingly accurate as the target nuclear charge and the energy increase.

  1. Absorption of infra-red radiation by atmospheric molecular cluster-ions

    OpenAIRE

    Aplin, K. L.; R. A. McPheat

    2005-01-01

    Protonated water clusters are a common species of atmospheric molecular cluster-ion, produced by cosmic rays throughout the troposphere and stratosphere. Under clear-sky conditions or periods of increased atmospheric ionisation, such as solar proton events, the IR absorption by atmospheric ions may affect climate through the radiative balance. Fourier Transform Infrared Spectrometry in a long path cell, of path length 545m, has been used to detect IR absorption by corona-generated positive mo...

  2. Nanoconfined LiBH4 as a Fast Lithium Ion Conductor

    DEFF Research Database (Denmark)

    Blanchard, Didier; Nale, Angeloclaudio; Sveinbjörnsson, Dadi Þorsteinn

    2015-01-01

    is associated with a fraction of the confined borohydride that shows no phase transition, and most likely located close to the interface with the SiO2 pore walls. These results point to a new strategy to design low-temperature ion conducting solids for application in all solid-state lithium ion batteries, which......Designing new functional materials is crucial for the development of efficient energy storage and conversion devices such as all solid-state batteries. LiBH 4 is a promising solid electrolyte for Li-ion batteries. It displays high lithium mobility, although only above 110 °C at which a transition...

  3. Controlling the electromagnetism of single ion by "molecular surgery"

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    @@ Controlling and modifying the magnetic property of a single molecule is the frontier for the development of molecular science. With the funding support from NSFC,Scientific Innovation Program of CAS as well as 973 from Ministry of Science and Technology of China, Prof.Jianguo Hou (Member of CAS) and Prof.

  4. Evaluation of observable phase space by fast ion loss detector by calculating particle orbits in consideration of plasma facing components and three dimensional magnetic field

    Science.gov (United States)

    Shinohara, Kouji; Kim, Junghee; Kim, Jun Young; Rhee, Tongnyeol

    2016-11-01

    The orbits of lost ions can be calculated from the information obtained by a fast ion loss detector (FILD). The orbits suggest a source of the lost fast ions in a phase space. However, it is not obvious whether an observable set of orbits, or phase space, of a FILD appropriately covers the region of interest to be investigated since the observable phase space can be affected by plasma facing components (PFCs) and a magnetic configuration. A tool has been developed to evaluate the observable phase space of FILD diagnostic by calculating particle orbits by taking the PFCs and 3D magnetic field into account.

  5. Gyro-Kinetic Electron and Fully-Kinetic Ion Simulations of Fast Magnetosonic Waves in the Magnetosphere

    Science.gov (United States)

    Gao, X.; Liu, K.; Wang, X.; Min, K.; Lin, Y.

    2016-12-01

    Two-dimensional simulations using a gyro-kinetic electron and fully-kinetic ion (GeFi) scheme are preformed to study the excitation of fast magnetosonic waves in the magnetosphere, which arise from the ion Bernstein instability driven by ring-like proton velocity distributions (with a positive slope with respect to the perpendicular velocity). Since both ion and electron kinetics are relevant, particle-in-cell (PIC) simulations have often been employed to study the wave excitation. However, such simulations are limited to reduced ion-to-electron mass ratio (mi/me) and light-to-Alfvén speed ratio (c/VA) due to the computationally expensive nature of PIC codes. The present study exploits a GeFi scheme that can break through these limitations and use larger/more realistic mi/me and c/VA. The capability of the GeFi code in simulating the ion Bernstein instability is first demonstrated by comparing a GeFi simulation using reduced mass ratio (mi/me=100) and speed ratio (c/VA=15) to a corresponding PIC simulation. A realistic speed ratio (c/VA=400) and a larger mass ratio (mi/me=400) are then adopted in the GeFi code to explore how the results vary. It is shown that the increased mi/me and c/VA lead to a larger lower hybrid frequency and allow waves to arise at more ion cyclotron harmonics, consistent with the general prediction of linear dispersion theory.

  6. Fast- and slow-wave heating of ion cyclotron range of frequencies in the Large Helical Device

    Energy Technology Data Exchange (ETDEWEB)

    Mutoh, T.; Kumazawa, R.; Seki, T. [and others

    2000-11-01

    Wave-heating at the fundamental ion-cyclotron frequency was applied to a hydrogen plasma in the Large Helical Device (LHD) over a range of plasma densities from 0.2-8x10{sup 19} m{sup -3}. Substantial heating was observed for all densities. In the low-density plasma (less than 0.4x10{sup 19} m{sup -3}) ion-cyclotron-wave (shear Alfven wave) heating was effective. For high-density plasmas, a fast-wave should be excited, and in this case also, effective heating was observed with the presence of the NBI beam component. The wave damping mechanism may be attributed to the finite gyro-radius effect on beam ions by the right-handed polarized wave. The experimental results were compared with an analysis using the full-wave code. The heating performance was a little worse than that of the usual two-ion hybrid-heating mode. (author)

  7. Evolutions of Molecular Oxygen Formation and Sodium Migration in Xe Ion Irradiated Borosilicate Glasses

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Liang; Zhang, Duofei F.; Lv, Peng; Zhang, Jiandong; Du, Xing; Yuan, Wei; Nan, Shuai; Zhu, Zihua; Wang, Tieshan

    2016-07-23

    The modifications of a commercial borosilicate glass induced by Xe ion irradiation have been studied by Raman spectroscopy and ToF-SIMS depth profiling. A decrease in the average Si–O–Si angle, an increase in the population of three-membered rings and an increase of the glass polymerization are evidenced. The molecular oxygen appears in the irradiated glasses after the irradiation fluence reaches approximately 1015 ions/cm2. The O2 concentration decreaseswith the depth of irradiated glass at the ion fluence of 2 × 1016 ions/cm2. A sodiumdepleted layer at the surface and a depleted zone at around the penetration depth of 5 MeV Xe ions are observed. The thickness of the sodium depleted layer increases with the irradiation fluence. Moreover, comparing with previous results after electron and Ar ion irradiation, it can be concluded that the nuclear energy deposition can partially inhibit the formation of molecular oxygen and increase the threshold value of electron energy deposition for the molecular oxygen formation.

  8. Improving the Molecular Ion Signal Intensity for In Situ Liquid SIMS Analysis

    Science.gov (United States)

    Zhou, Yufan; Yao, Juan; Ding, Yuanzhao; Yu, Jiachao; Hua, Xin; Evans, James E.; Yu, Xiaofei; Lao, David B.; Heldebrant, David J.; Nune, Satish K.; Cao, Bin; Bowden, Mark E.; Yu, Xiao-Ying; Wang, Xue-Lin; Zhu, Zihua

    2016-12-01

    In situ liquid secondary ion mass spectrometry (SIMS) enabled by system for analysis at the liquid vacuum interface (SALVI) has proven to be a promising new tool to provide molecular information at solid-liquid and liquid-vacuum interfaces. However, the initial data showed that useful signals in positive ion spectra are too weak to be meaningful in most cases. In addition, it is difficult to obtain strong negative molecular ion signals when m/z>200. These two drawbacks have been the biggest obstacle towards practical use of this new analytical approach. In this study, we report that strong and reliable positive and negative molecular signals are achievable after optimizing the SIMS experimental conditions. Four model systems, including a 1,8-diazabicycloundec-7-ene (DBU)-base switchable ionic liquid, a live Shewanella oneidensis biofilm, a hydrated mammalian epithelia cell, and an electrolyte popularly used in Li ion batteries were studied. A signal enhancement of about two orders of magnitude was obtained in comparison with non-optimized conditions. Therefore, molecular ion signal intensity has become very acceptable for use of in situ liquid SIMS to study solid-liquid and liquid-vacuum interfaces.

  9. Improving the Molecular Ion Signal Intensity for In Situ Liquid SIMS Analysis

    Science.gov (United States)

    Zhou, Yufan; Yao, Juan; Ding, Yuanzhao; Yu, Jiachao; Hua, Xin; Evans, James E.; Yu, Xiaofei; Lao, David B.; Heldebrant, David J.; Nune, Satish K.; Cao, Bin; Bowden, Mark E.; Yu, Xiao-Ying; Wang, Xue-Lin; Zhu, Zihua

    2016-09-01

    In situ liquid secondary ion mass spectrometry (SIMS) enabled by system for analysis at the liquid vacuum interface (SALVI) has proven to be a promising new tool to provide molecular information at solid-liquid and liquid-vacuum interfaces. However, the initial data showed that useful signals in positive ion spectra are too weak to be meaningful in most cases. In addition, it is difficult to obtain strong negative molecular ion signals when m/z>200. These two drawbacks have been the biggest obstacle towards practical use of this new analytical approach. In this study, we report that strong and reliable positive and negative molecular signals are achievable after optimizing the SIMS experimental conditions. Four model systems, including a 1,8-diazabicycloundec-7-ene (DBU)-base switchable ionic liquid, a live Shewanella oneidensis biofilm, a hydrated mammalian epithelia cell, and an electrolyte popularly used in Li ion batteries were studied. A signal enhancement of about two orders of magnitude was obtained in comparison with non-optimized conditions. Therefore, molecular ion signal intensity has become very acceptable for use of in situ liquid SIMS to study solid-liquid and liquid-vacuum interfaces.

  10. Improving the Molecular Ion Signal Intensity for In Situ Liquid SIMS Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yufan; Yao, Juan; Ding, Yuanzhao; Yu, Jiachao; Hua, Xin; Evans, James E.; Yu, Xiaofei; Lao, David B.; Heldebrant, David J.; Nune, Satish K.; Cao, Bin; Bowden, Mark E.; Yu, Xiao-Ying; Wang, Xue-Lin; Zhu, Zihua

    2016-09-06

    In situ liquid secondary ion mass spectrometry (SIMS) enabled by system for analysis at the liquid vacuum interface (SALVI) has proven to be a promising new tool to provide molecular information at solid–liquid and liquid–vacuum interfaces. However, the initial data showed that useful signals in positive ion spectra are too weak to be meaningful in most cases. In addition, it is difficult to obtain strong negative molecular ion signals when m/z>200. These two drawbacks have been the biggest obstacle towards practical use of this new analytical approach. In this study, we report that strong and reliable positive and negative molecular signals are achievable after optimizing the SIMS experimental conditions. Four model systems, including a 1,8-diazabicycloundec-7-ene (DBU)-base switchable ionic liquid, a live Shewanella oneidensis biofilm, a hydrated mammalian epithelia cell, and an electrolyte popularly used in Li ion batteries were studied. A signal enhancement of about two orders of magnitude was obtained in comparison with non-optimized conditions. Therefore, molecular ion signal intensity has become very acceptable to use for in situ liquid SIMS to study solid–liquid and liquid–vacuum interfaces.

  11. Actin filaments as the fast pathways for calcium ions involved in auditory processes

    Indian Academy of Sciences (India)

    Miljko V Sataric; Dalibor L Sekulic; Bogdan M Sataric

    2015-09-01

    We investigated the polyelectrolyte properties of actin filaments which are in interaction with myosin motors, basic participants in mechano-electrical transduction in the stereocilia of the inner ear. Here, we elaborated a model in which actin filaments play the role of guides or pathways for localized flow of calcium ions. It is well recognized that calcium ions are implicated in tuning of actin-myosin cross-bridge interaction, which controls the mechanical property of hair bundle. Actin filaments enable much more efficient delivery of calcium ions and faster mechanism for their distribution within the stereocilia. With this model we were able to semiquantitatively explain experimental evidences regarding the way of how calcium ions tune the mechanosensitivity of hair cells.

  12. Dynamics and control of fast ion crystal splitting in segmented Paul traps

    CERN Document Server

    Kaufmann, H; Schmiegelow, C T; Schmidt-Kaler, F; Poschinger, U G

    2014-01-01

    We theoretically investigate the process of splitting two-ion crystals in segmented Paul traps, i.e. the structural transition from two ions confined in a common well to ions confined in separate wells. The precise control of this process by application of suitable voltage ramps to the trap segments is non-trivial, as the harmonic confinement transiently vanishes during the process. This makes the ions strongly susceptible to background electric field noise, and to static offset fields in the direction of the trap axis. We analyze the reasons why large energy transfers can occur, which are impulsive acceleration, the presence of residual background fields and enhanced anomalous heating. For the impulsive acceleration, we identify the diabatic and adiabatic regimes, which are characterized by different scaling behavior of the energy transfer with respect to time. We propose a suitable control scheme based on experimentally accessible parameters. Simulations are used to verify both the high sensitivity of the s...

  13. Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions.

    Science.gov (United States)

    Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul

    2015-11-14

    Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved-up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages.

  14. Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions

    Energy Technology Data Exchange (ETDEWEB)

    Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul, E-mail: tavan@physik.uni-muenchen.de [Lehrstuhl für BioMolekulare Optik, Ludig–Maximilians Universität München, Oettingenstr. 67, 80538 München (Germany)

    2015-11-14

    Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved—up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages.

  15. Properties of the Excited States of Molecular Ions.

    Science.gov (United States)

    1981-04-13

    photafragmem spmuum for 0; obtained for seperatkon enrgy W =0 from 5770 to 5860 A. The noted tranisition wavelength@ are for the 0;(b, v1 =4-a. v" 411 had...rotational levels. We shall discuss this point in more detail In a following section. 8 B. Dissociation enrgies of he N levels 7 Before attempting to...NO, molecules, and should the mystem have turl Idth, sufficient (-0.5 oV) vibrational enrgy , the ,O will Wt Is 1.0 Tor 11,0, ions of mass 60 were

  16. Assessment of the quality of dna extracted by two techniques from Mycobacterium tuberculosis for fast molecular identification and genotyping

    Directory of Open Access Journals (Sweden)

    Marcelo Miyata

    2011-06-01

    Full Text Available We report a comparative study of two DNA extraction techniques, thermolysis and chemical lysis (CTAB, for molecular identification and genotyping of M. tuberculosis. Forty DNA samples were subjected to PCR and the results demonstrated that with thermolysis it is possible to obtain useful data that enables fast identification and genotyping.

  17. Leading order relativistic corrections to the dipole polarizability of the hydrogen molecular ions

    CERN Document Server

    Aznabayev, D T; Zhaugasheva, S A; Korobov, V I

    2016-01-01

    The static dipole polarizability for the hydrogen molecular ions H$_2^+$, HD$^+$, and D$_2^+$ are calculated. These new data for polarizability takes into account the leading order relativistic corrections to the wave function of the three-body system resulted from the Breit-Pauli Hamiltonian of $m\\alpha^4$ order. Our study covers a wide range of rotational ($L=0-5$) and vibrational ($v=0-10$) states, which are of practical interest for precision spectroscopy of the hydrogen molecular ions.

  18. High-resolution fast ion microscopy of single whole biological cells

    Science.gov (United States)

    Bettiol, Andrew A.; Mi, Zhaohong; Watt, Frank

    2016-12-01

    High-resolution microscopy techniques have become an essential tool in both biological and biomedical sciences, enabling the visualization of biological processes at cellular and subcellular levels. For many years, these imaging techniques utilized conventional optical microscopes including those with confocal facilities. However, the spatial resolutions achieved were largely limited to around 200 nm, as determined by the diffraction of light. To overcome this diffraction barrier, considerable scientific and technological effort has resulted in the development of super-resolution optical-based techniques, scanning probe microscopies, and also techniques utilizing charged particles (e.g., energetic electrons and ions) or high-energy photons (e.g., X-ray), which exhibit much shorter de Broglie wavelengths. Among the charged particle techniques, those utilizing mega-electron-volt (MeV) ion beams appear to have unique advantages primarily because MeV ions can penetrate through several microns of biological tissue (e.g., whole cells) with little deflection in their trajectories, and hence spatial resolutions are maintained while traversing the sample. Recently, we have witnessed the significant development of MeV ion beam focusing systems in reducing beam dimensions well below 100 nm, such that single whole cell imaging at 20 nm spatial resolutions is now possible. In this review, two super resolution imaging modalities that utilize MeV highly focused ion beams are discussed: Scanning Transmission Ion Microscopy (STIM), which images the areal density of cells and gives an insight into the cellular structure, and Proton/Helium-ion Induced Fluorescence Microcopy (P/HeIFM), which images the fluorescence emission of fluorescent markers and probes used as labels within the cells. This review hopes to demonstrate the potential of MeV ion microscopy, which is still in its infancy, and describe the simultaneous use of STIM and P/HeIFM as a new and powerful multifaceted

  19. Molecular Dynamics Simulation of Multivalent-Ion Mediated Attraction between DNA Molecules

    Science.gov (United States)

    Dai, Liang; Mu, Yuguang; Nordenskiöld, Lars; van der Maarel, Johan R. C.

    2008-03-01

    All atom molecular dynamics simulations with explicit water were done to study the interaction between two parallel double-stranded DNA molecules in the presence of the multivalent counterions putrescine (2+), spermidine (3+), spermine (4+) and cobalt hexamine (3+). The inter-DNA interaction potential is obtained with the umbrella sampling technique. The attractive force is rationalized in terms of the formation of ion bridges, i.e., multivalent ions which are simultaneously bound to the two opposing DNA molecules. The lifetime of the ion bridges is short on the order of a few nanoseconds.

  20. Synthesis and Anion Recognition of Novel Molecular Tweezer Receptors Based on Carbonyl Thiosemicarbazide for Fluoride Ions

    Institute of Scientific and Technical Information of China (English)

    WEI,Wei; ZHANG,You-Ming; WEI,Tai-Bao

    2008-01-01

    Three title compounds have been designed and synthesized in high yields as novel anion receptors, which show a higher selectivity for F- than other halide ions. The binding properties for fluoride ions of the receptors have been examined by UV-Vis and 1H NMR spectroscopy, indicating that a 1 : 1 stoichiometry complex is formed between the receptors and fluoride ions through hydrogen bonding interactions in DMSO solution. In addition, because these receptors have more binding points, they have better binding properties for anions than the molecular tweezer receptors based on thiourea we reported last time.

  1. Molecular dynamics simulations of ion irradiation of a surface under an electric field

    Energy Technology Data Exchange (ETDEWEB)

    Parviainen, S., E-mail: stefan.parviainen@iki.fi; Djurabekova, F.

    2014-11-15

    The presence of high electric fields may affect significantly the process of sputtering of metal surfaces by energetic ions, especially in the vicinity of rough surface features. The effect can be significant if the energy of ions is fairly low. Moreover, the nanosized rough surface features – invisible to a naked eye, both intrinsic ones due to technological processing of surfaces and those forming because of sputtering – may affect the topology of surface erosion under ion bombardment. In this work we study by means of concurrent electrodynamics–molecular dynamics the sputtering yield of Cu{sup +} ions hitting a flat Cu surface or a nanosized Cu protrusion as a function of both ion energy and electric field strength. The results show that the sputtering yield is significantly enhanced in the presence of an electric field in both cases.

  2. Delineation of molecular pathways that regulate hepatic PCSK9 and LDL receptor expression during fasting in normolipidemic hamsters

    Science.gov (United States)

    Wu, Minhao; Dong, Bin; Cao, Aiqin; Li, Hai; Liu, Jingwen

    2015-01-01

    Background PCSK9 has emerged as a key regulator of serum LDL-C metabolism by promoting the degradation of hepatic LDL receptor (LDLR). In this study, we investigated the effect of fasting on serum PCSK9, LDL-C, and hepatic LDLR expression in hamsters and further delineated the molecular pathways involved in fasting-induced repression of PCSK9 transcription. Results Fasting had insignificant effects on serum total cholesterol and HDL-C levels, but reduced LDL-C, triglyceride and insulin levels. The decrease in serum LDL-C was accompanied by marked reductions of hepatic PCSK9 mRNA and serum PCSK9 protein levels with concomitant increases of hepatic LDLR protein amounts. Fasting produced a profound impact on SREBP1 expression and its transactivating activity, while having modest effects on mRNA expressions of SREBP2 target genes in hamster liver. Although PPARα mRNA levels in hamster liver were elevated by fasting, ligand-induced activation of PPARα with WY14643 compound in hamster primary hepatocytes did not affect PCSK9 mRNA or protein expressions. Further investigation on HNF1α, a critical transactivator of PCSK9, revealed that fasting did not alter its mRNA expression, however, the protein abundance of HNF1α in nuclear extracts of hamster liver was markedly reduced by prolonged fasting. Conclusion Fasting lowered serum LDL-C in hamsters by increasing hepatic LDLR protein amounts via reductions of serum PCSK9 levels. Importantly, our results suggest that attenuation of SREBP1 transactivating activity owing to decreased insulin levels during fasting is primarily responsible for compromised PCSK9 gene transcription, which was further suppressed after prolonged fasting by a reduction of nuclear HNF1α protein abundance. PMID:22954675

  3. Investigation of the silicon ion density during molecular beam epitaxy growth

    CERN Document Server

    Eifler, G; Ashurov, K; Morozov, S

    2002-01-01

    Ions impinging on a surface during molecular beam epitaxy influence the growth and the properties of the growing layer, for example, suppression of dopant segregation and the generation of crystal defects. The silicon electron gun in the molecular beam epitaxy (MBE) equipment is used as a source for silicon ions. To use the effect of ion bombardment the mechanism of generation and distribution of ions was investigated. A monitoring system was developed and attached at the substrate position in the MBE growth chamber to measure the ion and electron densities towards the substrate. A negative voltage was applied to the substrate to modify the ion energy and density. Furthermore the current caused by charge carriers impinging on the substrate was measured and compared with the results of the monitoring system. The electron and ion densities were measured by varying the emission current of the e-gun achieving silicon growth rates between 0.07 and 0.45 nm/s and by changing the voltage applied to the substrate betw...

  4. The role of ion electrophoresis in electroporation-mediated molecular delivery

    Science.gov (United States)

    Li, Jianbo; Lin, Hao

    2009-11-01

    Electroporation is a widely applied technique to deliver active molecules into the cellular compartment, to perform a variety of tasks such as gene therapy and directed stem cell differentiation. In this technique, an electric field transiently permeabilizes the cellular membrane to facilitate molecular exchange. While the permeabilization process is relatively well-understood, the transport mechanisms for molecular delivery are still under debate. In this work, the role of ion electrophoresis in electroporation-mediated molecular delivery is investigated using numerical simulations. The result indicates that ion electrophoresis is the dominant mode of transport in the delivery of small charged molecules. Furthermore, the achievable intracellular concentration is strongly influenced by the conductivity difference between the cytoplasm and the buffer, a phenomenon known as ``field-amplified sample stacking''. The result agrees well with the fluorescence measurement by Gabriel and Teissi'e (1999), and suggests a new possibility to simultaneously improve cell viability and efficiency in electroporation-mediated molecular delivery.

  5. Fast-ignition heavy-ion fusion target by jet impact

    Energy Technology Data Exchange (ETDEWEB)

    Velarde, P. [Instituto de Fusion Nuclear, Universidad Politecnica de Madrid, C/ Jose Gutierrez Abascal, 2. 28006 Madrid (Spain)]. E-mail: pedro@din.upm.es; Ogando, F. [Instituto de Fusion Nuclear, Universidad Politecnica de Madrid, C/ Jose Gutierrez Abascal, 2. 28006 Madrid (Spain); Universidad Nacional de Educacion a Distancia (Spain); Eliezer, S. [Soreq Nuclear Research Center (Israel); Martinez-Val, J.M. [Soreq Nuclear Research Center (Israel)

    2005-05-21

    A new target design for HIF, based on the fast-ignition principles, is proposed. Unlike the previous designs proposed so far, in this case just one energy source is needed to drive the whole process to ignition. The ultra-fast deposition of energy onto the compressed core is produced in this case by hypervelocity jets generated during the process. The collision of jets converts their kinetic energy into thermal energy of the nuclear fuel, which is expected to produce ignition under proper design. The process is studied in this paper, describing its most relevant features like jet production and later collision.

  6. Vibrational Distribution of Hydrogen Molecular Ions in High-Energy Ionization Processes

    Institute of Scientific and Technical Information of China (English)

    CHEN Shao-Hao; HE Chun-Long; CHEN Chao; LI Jia-Ming

    2005-01-01

    @@ A theoretical time-dependent wave-packet dynamics method is applied to calculate the distribution of vibrational states of hydrogen molecular ions produced in high-energy ionization processes of hydrogen molecules. The isotope effect is elucidated in agreement with the available experimental measurements. Our proposed method should be readily applied in other atomic and molecular processes considering great advances in electronic computation science and technology.

  7. An aircraft-borne chemical ionization – ion trap mass spectrometer (CI-ITMS for fast PAN and PPN measurements

    Directory of Open Access Journals (Sweden)

    H. Schlager

    2011-02-01

    Full Text Available An airborne chemical ionization ion trap mass spectrometer instrument (CI-ITMS has been developed for tropospheric and stratospheric fast in-situ measurements of PAN (peroxyacetyl nitrate and PPN (peroxypropionyl nitrate. The first scientific deployment of the FASTPEX instrument (FASTPEX = Fast Measurement of Peroxyacyl nitrates took place in the Arctic during 18 missions aboard the DLR research aircraft Falcon, within the framework of the POLARCAT-GRACE campaign in the summer of 2008. The FASTPEX instrument is described and characteristic properties of the employed ion trap mass spectrometer are discussed. Atmospheric data obtained at altitudes of up to ~12 km are presented, from the boundary layer to the lowermost stratosphere. Data were sampled with a time resolution of 2 s and a 2σ detection limit of 25 pmol mol−1. An isotopically labelled standard was used for a permanent on-line calibration. For this reason the accuracy of the PAN measurements is better than ±10% for mixing ratios greater than 200 pmol mol−1. PAN mixing ratios in the summer Arctic troposphere were in the order of a few hundred pmol mol−1 and generally correlated well with CO. In the Arctic boundary layer and lowermost stratosphere smaller PAN mixing ratios were observed due to a combination of missing local sources of PAN precursor gases and efficient removal processes (thermolysis/photolysis. PPN, the second most abundant PAN homologue, was measured simultaneously. Observed PPN/PAN ratios range between ~0.03 and 0.3.

  8. Molecular Structure of the Human CFTR Ion Channel.

    Science.gov (United States)

    Liu, Fangyu; Zhang, Zhe; Csanády, László; Gadsby, David C; Chen, Jue

    2017-03-23

    The cystic fibrosis transmembrane conductance regulator (CFTR) is an ATP-binding cassette (ABC) transporter that uniquely functions as an ion channel. Here, we present a 3.9 Å structure of dephosphorylated human CFTR without nucleotides, determined by electron cryomicroscopy (cryo-EM). Close resemblance of this human CFTR structure to zebrafish CFTR under identical conditions reinforces its relevance for understanding CFTR function. The human CFTR structure reveals a previously unresolved helix belonging to the R domain docked inside the intracellular vestibule, precluding channel opening. By analyzing the sigmoid time course of CFTR current activation, we propose that PKA phosphorylation of the R domain is enabled by its infrequent spontaneous disengagement, which also explains residual ATPase and gating activity of dephosphorylated CFTR. From comparison with MRP1, a feature distinguishing CFTR from all other ABC transporters is the helix-loop transition in transmembrane helix 8, which likely forms the structural basis for CFTR's channel function.

  9. Photochemistry and molecular ions in carbon-rich circumstellar envelopes

    Science.gov (United States)

    Glassgold, A. E.; Mamon, G. A.; Omont, A.; Lucas, R.

    1987-01-01

    An earlier theory of ionization of C-rich circumstellar envelopes based on the photochemical model is extended to include the temperature dependence of ion-molecule reactions with polar molecules, particularly HCN, and line self-shielding of CO dissociating radiation. The results are applied to the abundances of HCO(+) and HNC in C-rich circumstellar envelopes. With standard parameters for IRC + 10216, the model is found to be consistent with the new upper limit to the antenna temperature of the J = 1-0 line of HCO(+) obtained with the IRAM 30-m telescope. The photochemical model provides a natural explanation of the relatively large ratio of HCN to HNC observed for C-rich circumstellar envelopes, and good agreement is obtained for the H(C-13)N/HNC antenna temperature ratio measured for IRC + 10216.

  10. Ion acceleration in non-equilibrium plasmas driven by fast drifting electron

    Energy Technology Data Exchange (ETDEWEB)

    Castro, G. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Università degli Studi di Catania, Dipartimento di Fisica e Astronomia, V. S.Sofia 64, 95123 Catania (Italy); Di Bartolo, F., E-mail: fdibartolo@unime.it [Università di Messina, V.le F. Stagno D’Alcontres 31, 98166, Messina (Italy); Gambino, N. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Università degli Studi di Catania, Dipartimento di Metodologie Fisiche e Chimiche per L’ingegneria, Viale A.Doria 6, 95125 Catania (Italy); Mascali, D. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); CSFNSM, Viale A. Doria 6, 95125 Catania (Italy); Romano, F.P. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); CNR-IBAM Via Biblioteca 4, 95124 Catania (Italy); Anzalone, A.; Celona, L.; Gammino, S. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Di Giugno, R. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Università degli Studi di Catania, Dipartimento di Fisica e Astronomia, V. S.Sofia 64, 95123 Catania (Italy); Lanaia, D. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Miracoli, R. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Università degli Studi di Catania, Dipartimento di Fisica e Astronomia, V. S.Sofia 64, 95123 Catania (Italy); Serafino, T. [CSFNSM, Viale A. Doria 6, 95125 Catania (Italy); Tudisco, S. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); CSFNSM, Viale A. Doria 6, 95125 Catania (Italy)

    2013-05-01

    We hereby present results on ion acceleration mechanisms in non equilibrium plasmas generated by microwaves or high intensity laser pulses. Experiments point out that in magnetized plasmas X–B conversion takes place for under resonance values of the magnetic field, i.e. an electromagnetic mode is converted into an electrostatic wave. The strong self-generated electric field, of the order of 10{sup 7} V/m, causes a E × B drift which accelerates both ions and electrons, as it is evident by localized sputtering in the plasma chamber. These fields are similar (in magnitude) to the ones obtainable in laser generated plasmas at intensity of 10{sup 12} W/cm{sup 2}. In this latter case, we observe that the acceleration mechanism is driven by electrons drifting much faster than plasma bulk, thus generating an extremely strong electric field ∼10{sup 7} V/m. The two experiments confirm that ions acceleration at low energy is possible with table-top devices and following complementary techniques: i.e. by using microwave-driven (producing CW beams) plasmas, or non-equilibrium laser-driven plasmas (producing pulsed beams). Possible applications involve ion implantation, materials surface modifications, ion beam assisted lithography, etc.

  11. Nuclear Structure and Nuclear Astrophysics Studies with Fast Heavy-Ion Beams

    Science.gov (United States)

    Motobayashi, Tohru

    Collaboration between France and Japan on studies with fast RI (radioactive isotope) beams and related technical developments started in 1980s, when the GANIL accelerators and RIKEN cyclotron complex started operation and RI beam production technique was developed. Several examples of collaboration on nuclear physics and nuclear astrophysics experiments including related technical development are discussed.

  12. Molecular biology and biophysical properties of ion channel gating pores.

    Science.gov (United States)

    Moreau, Adrien; Gosselin-Badaroudine, Pascal; Chahine, Mohamed

    2014-11-01

    The voltage sensitive domain (VSD) is a pivotal structure of voltage-gated ion channels (VGICs) and plays an essential role in the generation of electrochemical signals by neurons, striated muscle cells, and endocrine cells. The VSD is not unique to VGICs. Recent studies have shown that a VSD regulates a phosphatase. Similarly, Hv1, a voltage-sensitive protein that lacks an apparent pore domain, is a self-contained voltage sensor that operates as an H⁺ channel. VSDs are formed by four transmembrane helices (S1-S4). The S4 helix is positively charged due to the presence of arginine and lysine residues. It is surrounded by two water crevices that extend into the membrane from both the extracellular and intracellular milieus. A hydrophobic septum disrupts communication between these water crevices thus preventing the permeation of ions. The septum is maintained by interactions between the charged residues of the S4 segment and the gating charge transfer center. Mutating the charged residue of the S4 segment allows the water crevices to communicate and generate gating pore or omega pore. Gating pore currents have been reported to underlie several neuronal and striated muscle channelopathies. Depending on which charged residue on the S4 segment is mutated, gating pores are permeant either at depolarized or hyperpolarized voltages. Gating pores are cation selective and seem to converge toward Eisenmann's first or second selectivity sequences. Most gating pores are blocked by guanidine derivatives as well as trivalent and quadrivalent cations. Gating pores can be used to study the movement of the voltage sensor and could serve as targets for novel small therapeutic molecules.

  13. Classification of Jet Fuels by Fuzzy Rule-Building Expert Systems Applied to Three-Way Data by Fast Gas Chromatography-Fast Scanning Quadrupole Ion Trap Mass Spectrometry

    Science.gov (United States)

    2011-01-01

    car - rier gas speed, and a higher head pressure, etc., fast GC separation can be realized. Compared with conventional GC, fast GC offers the...themost common, sensitive, and informativedetectors for GC, MS has promise for the composition-property correlation studyof jet fuels. Time-of-flight ( ToF ... ToF -MS [42]. However, they have the disadvantage of relatively higher costs to purchase and maintain compared to ion trap mass spectrometers. Most

  14. Fast carbohydrate analysis via liquid chromatography coupled with ultra violet and electrospray ionization ion trap detection in 96-well format.

    Science.gov (United States)

    Rühmann, Broder; Schmid, Jochen; Sieber, Volker

    2014-07-11

    A fast carbohydrate screening platform processible in 96-well format is described. The method is suitable for the determination of various carbohydrates out of complex mixtures as obtained by acidic hydrolysis of carbohydrates polymers. The chromatographic conditions for an efficient separation (12min) and the derivatization process with 1-phenyl-3-methyl-5-pyrazolone (PMP) were optimized for high resolution separation and simultaneous determination of deoxy-, amino-, anhydro-sugars as well as hexoses, pentoses, dimers, uronic acids and degradation products like furfural and hydroxymethylfurfural (HMF). The potential to quantify with UV- and MS-detector in the same range has been demonstrated for 20 different compounds. Finally, the matrix effects of the hydrolysis were positively evaluated. The micro scale hydrolysis and PMP-derivatization without any extraction or drying steps, both in 96-well format, result in a fast and intuitive sample preparation. In combination with a fast liquid chromatography coupled to UV and electrospray ionization ion trap detection (LC-UV-ESI-MS/MS) for the qualification and quantification of various sugars, dimers and degradation products, this method shows great performance in carbohydrate analysis.

  15. Simulations of fast ion wall loads in ASDEX Upgrade in the presence of magnetic perturbations due to ELM mitigation coils

    CERN Document Server

    Asunta, Otto; Kurki-Suonio, Taina; Koskela, Tuomas; Sipilä, Seppo; Snicker, Antti; Garcia-Muñoz, Manuel

    2015-01-01

    The effect of ASDEX Upgrade (AUG) ELM mitigation coils on fast ion wall loads was studied with the fast particle following Monte Carlo code ASCOT. Neutral beam injected (NBI) particles were simulated in two AUG discharges both in the presence and in the absence of the magnetic field perturbation induced by the eight newly installed in-vessel coils. In one of the discharges (#26476) beams were applied individually, making it a useful basis for investigating the effect of the coils on different beams. However, no ELM mitigation was observed in #26476, probably due to the low plasma density. Therefore, another discharge (#26895) demonstrating clear ELM mitigation was also studied. The magnetic perturbation due to the in-vessel coils has a significant effect on the fast particle confinement, but only when total magnetic field, $B_{tot}$, is low. When $B_{tot}$ was high, the perturbation did not increase the losses, but merely resulted in redistribution of the wall power loads. Hence, it seems to be possible to ac...

  16. Fast response dry-type artificial molecular muscles with [c2]daisy chains

    Science.gov (United States)

    Iwaso, Kazuhisa; Takashima, Yoshinori; Harada, Akira

    2016-06-01

    Hierarchically organized myosin and actin filaments found in biological systems exhibit contraction and expansion behaviours that produce work and force by consuming chemical energy. Inspired by these naturally occurring examples, we have developed photoresponsive wet- and dry-type molecular actuators built from rotaxane-based compounds known as [c2]daisy chains (specifically, [c2]AzoCD2 hydrogel and [c2]AzoCD2 xerogel). These actuators were prepared via polycondensation between four-armed poly(ethylene glycol) and a [c2]daisy chain based on α-cyclodextrin as the host component and azobenzene as a photoresponsive guest component. The light-induced actuation arises from the sliding motion of the [c2]daisy chain unit. Ultraviolet irradiation caused the gels to bend towards the light source. The response of the [c2]AzoCD2 xerogel, even under dry conditions, is very fast (7° every second), which is 10,800 times faster than the [c2]AzoCD2 hydrogel (7° every 3 h). In addition, the [c2]AzoCD2 xerogel was used as a crane arm to lift an object using ultraviolet irradiation to produce mechanical work.

  17. The response of a fast phosphor screen scintillator (ZnO:Ga) to low energy ions (0-60 keV)

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez-Rey, D. [Centro de Micro-Analisis de Materiales, Universidad Autonoma de Madrid, C/ Faraday 3, Campus de Cantoblanco, E-28049 Madrid (Spain); Zurro, B.; Baciero, A.; Navarro, M. [Laboratorio Nacional de Fusion, Asociacion Euratom-CIEMAT, Av. Complutense 22, E-28040 Madrid (Spain); Rodriguez-Barquero, L. [Laboratorio de Metrologia de Radiaciones lonizantes, CIEMAT, Av. Complutense 22, E-28040 Madrid (Spain)

    2010-10-15

    ZnO:Ga is a promising, high time resolution candidate for use as a fast-ion-loss detector in TJ-II. We compare its ionoluminescence with that of the standard fast-ion-loss detector material, SrGa{sub 2}S{sub 4}:Eu (also known as TG-Green), when irradiated by H{sup +} ions with a range of energies E{<=}60 keV using a dedicated laboratory setup. It is found that ZnO:Ga is a reasonably good candidate for detecting low energy (E<60 keV) ions as it has excellent time resolution; however, its sensitivity is about 100 times lower than TG-Green, potentially limiting it to applications with high energy ion loss signals.

  18. Deuterium retention after deuterium plasma implantation in tungsten pre-damaged by fast C+ ions

    Science.gov (United States)

    Efimov, V. S.; Gasparyan, Yu M.; Pisarev, A. A.; Khripunov, B. I.; Koidan, V. S.; Ryazanov, A. I.; Semenov, E. V.

    2016-09-01

    Thermal desorption of deuterium from W was investigated. Virgin samples and samples damaged by 10 MeV C 3+ ions were implanted from plasma in the LENTA facility at 370 K and 773 K. In comparison with the undamaged sample, deuterium retention in the damaged sample slightly increased in the case of deuterium implantation at RT, but decreased in the case of deuterium implantation at 773 K. At 773 K, deuterium was concluded to diffuse far behind the D ion range in the virgin sample, while C implantation region was concluded to be a barrier for D diffusion in the damaged sample.

  19. A molecular dynamics analysis of ion irradiation of ultrathin amorphous carbon films

    Science.gov (United States)

    Qi, J.; Komvopoulos, K.

    2016-09-01

    Molecular dynamics (MD) simulations provide insight into nanoscale problems where continuum description breaks down, such as the modeling of ultrathin films. Amorphous carbon (a-C) films are commonly used as protective overcoats in various contemporary technologies, including microelectromechanical systems, bio-implantable devices, optical lenses, and hard-disk drives. In all of these technologies, the protective a-C film must be continuous and very thin. For example, to achieve high storage densities (e.g., on the order of 1 Tb/in.2) in magnetic recording, the thickness of the a-C film used to protect the magnetic media and the recording head against mechanical wear and corrosion must be 2-3 nm. Inert ion irradiation is an effective post-deposition method for reducing the film thickness, while preserving the mechanical and chemical characteristics. In this study, MD simulations of Ar+ ion irradiated a-C films were performed to elucidate the effects of the ion incidence angle and ion kinetic energy on the film thickness and structure. The MD results reveal that the film etching rate exhibits a strong dependence on the ion kinetic energy and ion incidence angle, with a maximum etching rate corresponding to an ion incidence angle of ˜20°. It is also shown that Ar+ ion irradiation mainly affects the structure of the upper half of the ultrathin a-C film and that carbon atom hybridization is a strong function of the ion kinetic energy and ion incidence angle. The results of this study elucidate the effects of important ion irradiation parameters on the structure and thickness of ultrathin films and provide fundamental insight into the physics of dry etching.

  20. Molecular Dynamics of XFEL-Induced Photo-Dissociation, Revealed by Ion-Ion Coincidence Measurements

    Directory of Open Access Journals (Sweden)

    Edwin Kukk

    2017-05-01

    Full Text Available X-ray free electron lasers (XFELs providing ultrashort intense pulses of X-rays have proven to be excellent tools to investigate the dynamics of radiation-induced dissociation and charge redistribution in molecules and nanoparticles. Coincidence techniques, in particular multi-ion time-of-flight (TOF coincident experiments, can provide detailed information on the photoabsorption, charge generation, and Coulomb explosion events. Here we review several such recent experiments performed at the SPring-8 Angstrom Compact free electron LAser (SACLA facility in Japan, with iodomethane, diiodomethane, and 5-iodouracil as targets. We demonstrate how to utilize the momentum-resolving capabilities of the ion TOF spectrometers to resolve and filter the coincidence data and extract various information essential in understanding the time evolution of the processes induced by the XFEL pulses.

  1. On calculations of dipole moments of HCl+ and DCl+ molecular ions

    CERN Document Server

    Gurin, V S

    2015-01-01

    Dipole moment functions of isotopomeric molecular ions, HCl+ and DCl+, are considered in the two coordinate systems, center of mass of nuclei and center of nuclear charges, both through simple analytical derivations and ab initio calculations of electronic structure at various interatomic separations. An origin of the different values for dipole moments of the isotopomers is discussed and demonstrated by the calculation data.

  2. External-field shifts in precision spectroscopy of hydrogen molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Bakalov, Dimitar, E-mail: dbakalov@inrne.bas.bg [INRNE, Bulgarian Academy of Sciences (Bulgaria); Korobov, Vladimir [Joint Institute for Nuclear Research (Russian Federation); Schiller, Stephan [Heinrich-Heine-Universitat Dusseldorf, Institut fur Experimentalphysik (Germany)

    2015-08-15

    The Effective Hamiltonian of the hydrogen molecular ions is a convenient tool for the evaluation of the shift of the energy levels of the ro-vibrational states and the frequencies of the transitions between them, due to external electric and magnetic fields. Using the Effective Hamiltonian, composite frequencies of suppressed susceptibility to external fields are constructed.

  3. Electron loss from multiply protonated lysozyme ions in high energy collisions with molecular oxygen

    DEFF Research Database (Denmark)

    Hvelplund, P; Nielsen, SB; Sørensen, M

    2001-01-01

    We report on the electron loss from multiply protonated lysozyme ions Lys-Hn(n)+ (n = 7 - 17) and the concomitant formation of Lys-Hn(n+1)+. in high-energy collisions with molecular oxygen (laboratory kinetic energy = 50 x n keV). The cross section for electron loss increases with the charge stat...

  4. Absorption of infra-red radiation by atmospheric molecular cluster-ions

    CERN Document Server

    Aplin, K L

    2005-01-01

    Protonated water clusters are a common species of atmospheric molecular cluster-ion, produced by cosmic rays throughout the troposphere and stratosphere. Under clear-sky conditions or periods of increased atmospheric ionisation, such as solar proton events, the IR absorption by atmospheric ions may affect climate through the radiative balance. Fourier Transform Infrared Spectrometry in a long path cell, of path length 545m, has been used to detect IR absorption by corona-generated positive molecular cluster-ions. The column concentration of ions in the laboratory spectroscopy experiment was estimated to be ~10^13 m-2; the column concentration of protonated atmospheric ions estimated using a simple model is ~10^14 m-2. Two regions of absorption, at 12.3 and 9.1 um are associated with enhanced ion concentrations. After filtering of the measured spectra to compensate for spurious signals from neutral water vapour and residual carbon dioxide, the strongest absorption region is at 9.5 to 8.8 um (1050 to 1140 cm-1)...

  5. Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods

    Energy Technology Data Exchange (ETDEWEB)

    Chakravorty, Dhruva K.; Wang Bing [University of Florida, Department of Chemistry and the Quantum Theory Project (United States); Lee, Chul Won [Chonnam National University, Department of Chemistry (Korea, Republic of); Guerra, Alfredo J.; Giedroc, David P., E-mail: giedroc@indiana.edu [Indiana University, Department of Chemistry (United States); Merz, Kenneth M., E-mail: kmerz1@gmail.com [University of Florida, Department of Chemistry and the Quantum Theory Project (United States)

    2013-06-15

    Correctly calculating the structure of metal coordination sites in a protein during the process of nuclear magnetic resonance (NMR) structure determination and refinement continues to be a challenging task. In this study, we present an accurate and convenient means by which to include metal ions in the NMR structure determination process using molecular dynamics (MD) simulations constrained by NMR-derived data to obtain a realistic and physically viable description of the metal binding site(s). This method provides the framework to accurately portray the metal ions and its binding residues in a pseudo-bond or dummy-cation like approach, and is validated by quantum mechanical/molecular mechanical (QM/MM) MD calculations constrained by NMR-derived data. To illustrate this approach, we refine the zinc coordination complex structure of the zinc sensing transcriptional repressor protein Staphylococcus aureus CzrA, generating over 130 ns of MD and QM/MM MD NMR-data compliant sampling. In addition to refining the first coordination shell structure of the Zn(II) ion, this protocol benefits from being performed in a periodically replicated solvation environment including long-range electrostatics. We determine that unrestrained (not based on NMR data) MD simulations correlated to the NMR data in a time-averaged ensemble. The accurate solution structure ensemble of the metal-bound protein accurately describes the role of conformational sampling in allosteric regulation of DNA binding by zinc and serves to validate our previous unrestrained MD simulations of CzrA. This methodology has potentially broad applicability in the structure determination of metal ion bound proteins, protein folding and metal template protein-design studies.

  6. Molecular desorption of stainless steel vacuum chambers irradiated with 42 MeV/u lead ions

    CERN Document Server

    Mahner, E; Laurent, Jean Michel; Madsen, N

    2003-01-01

    In preparation for the heavy ion program of the Large Hadron Collider at CERN, accumulation and cooling tests with lead ion beams have been performed in the Low Energy Antiproton Ring. These tests have revealed that due to the unexpected large outgassing of the vacuum system, the dynamic pressure of the ring could not be maintained low enough to reach the required beam intensities. To determine the actions necessary to lower the dynamic pressure rise, an experimental program has been initiated for measuring the molecular desorption yields of stainless steel vacuum chambers by the impact of 4.2 MeV/u lead ions with the charge states +27 and +53. The test chambers were exposed either at grazing or at perpendicular incidence. Different surface treatments (glow discharges, nonevaporable getter coating) are reported in terms of the molecular desorption yields for H/sub 2 /, CH/sub 4/, CO, Ar, and CO/sub 2/. (16 refs).

  7. Germanium as a Sodium Ion Battery Material: In Situ TEM Reveals Fast Sodiation Kinetics with High Capacity

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Xiaotang; Adkins, Emily R.; He, Yang; Zhong, Li; Luo, Langli; Mao, Scott X.; Wang, Chong M.; Korgel, Brian A.

    2016-01-29

    Amorphous germanium (a-Ge) nanowires have great potential for application as anodes in Na-ion batteries. However, the Na-Ge reaction is much less studied and understood compared with other metal alloy anodes. Here, in situ transmission electron microscopy (TEM) is used to study the sodiation/desodiation behavior of a-Ge nanowires. Unexpectedly, our experiments revealed that a-Ge nanowires can be charged at a very fast rate and the final sodiation product, with over 300% volume expansion, is close to Na3Ge instead of NaGe which was considered as the ultimate sodiation state that Ge could achieve. Porous structure was observed in desodiation and, in contrast to delithiation, Na extraction is more likely to create pores in the nanowires due to the much larger radius of the Na ion. This porous structure has demonstrated excellent robustness upon cycling: it could recover flawlessly from the giant pores that were created during experimentation. These results show that the potential of a-Ge for Na-ion battery applications may have been previously underestimated.

  8. Nanoconfined LiBH4 as a Fast Lithium Ion Conductor

    NARCIS (Netherlands)

    Blanchard, Didier; Nale, Angeloclaudio|info:eu-repo/dai/nl/339461845; Sveinbjoernsson, Dadi; Eggenhuisen, Tamara M.|info:eu-repo/dai/nl/313959498; Verkuijlen, Margriet H. W.; Suwarno, Suwarno; Vegge, Tejs; Kentgens, Arno P. M.; de Jongh, Petra E.|info:eu-repo/dai/nl/186125372

    2015-01-01

    Designing new functional materials is crucial for the development of efficient energy storage and conversion devices such as all solid-state batteries. LiBH4 is a promising solid electrolyte for Li-ion batteries. It displays high lithium mobility, although only above 110 degrees C at which a transit

  9. Nanoconfined LiBH4 as a Fast Lithium Ion Conductor

    NARCIS (Netherlands)

    Blanchard, Didier; Nale, Angeloclaudio; Sveinbjoernsson, Dadi; Eggenhuisen, Tamara M.; Verkuijlen, Margriet H. W.; Suwarno, Suwarno; Vegge, Tejs; Kentgens, Arno P. M.; de Jongh, Petra E.

    2015-01-01

    Designing new functional materials is crucial for the development of efficient energy storage and conversion devices such as all solid-state batteries. LiBH4 is a promising solid electrolyte for Li-ion batteries. It displays high lithium mobility, although only above 110 degrees C at which a transit

  10. A New Family of Ce6MoO15 as Fast Oxide Ion Conductor

    Institute of Scientific and Technical Information of China (English)

    Feng Jing; Meng Jian; Bo Qibing; Che Ping; Wang Jingping; Liu Jianfen; Lu Minfeng; Zhang Deping; Fang Daqing; Cao Xueqiang

    2004-01-01

    A novel solid solution Ce6MoO15 was achieved. Their structure and oxide ionic conductivity were studied.Based on Ce6MoO15, rare earth element substitution on cerium site shows that all resulting oxides enhance the conductivity further, and have high oxide-ion conductivity, which may be a kind of promising material for SOFCs.

  11. Lifetimes and stabilities of familiar explosives molecular adduct complexes during ion mobility measurements

    Science.gov (United States)

    McKenzie, Alan; DeBord, John Daniel; Ridgeway, Mark; Park, Melvin; Eiceman, Gary; Fernandez-Lima, Francisco

    2015-01-01

    Trapped ion mobility spectrometry coupled to mass spectrometry (TIMS-MS) was utilized for the separation and identification of familiar explosives in complex mixtures. For the first time, molecular adduct complex lifetimes, relative stability, binding energies and candidate structures are reported for familiar explosives. Experimental and theoretical results showed that the adduct size and reactivity, complex binding energy and the explosive structure tailors the stability of the molecular adduct complex. TIMS flexibility to adapt the mobility separation as a function of the molecular adduct complex stability (i.e., short or long IMS experiments / low or high IMS resolution) permits targeted measurements of explosives in complex mixtures with higher confidence levels. PMID:26153567

  12. Next Generation Molecular Histology Using Highly Multiplexed Ion Beam Imaging (MIBI) of Breast Cancer Tissue Specimens for Enhanced Clinical Guidance

    Science.gov (United States)

    2016-07-01

    AWARD NUMBER: W81XWH- 14-1-0192 TITLE: Next-Generation Molecular Histology Using Highly Multiplexed Ion Beam Imaging (MIBI) of Breast Cancer...DATES COVERED 4. TITLE AND SUBTITLE Next-Generation Molecular Histology Using Highly Multiplexed Ion Beam Imaging (MIBI) of Breast Cancer Tissue

  13. Structure and dynamics of the fast lithium ion conductor "Li7La3Zr2O12".

    Science.gov (United States)

    Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen

    2011-11-21

    The solid lithium-ion electrolyte "Li(7)La(3)Zr(2)O(12)" (LLZO) with a garnet-type structure has been prepared in the cubic and tetragonal modification following conventional ceramic syntheses routes. Without aluminium doping tetragonal LLZO was obtained, which shows a two orders of magnitude lower room temperature conductivity than the cubic modification. Small concentrations of Al in the order of 1 wt% were sufficient to stabilize the cubic phase, which is known as a fast lithium-ion conductor. The structure and ion dynamics of Al-doped cubic LLZO were studied by impedance spectroscopy, dc conductivity measurements, (6)Li and (7)Li NMR, XRD, neutron powder diffraction, and TEM precession electron diffraction. From the results we conclude that aluminium is incorporated in the garnet lattice on the tetrahedral 24d Li site, thus stabilizing the cubic LLZO modification. Simulations based on diffraction data show that even at the low temperature of 4 K the Li ions are blurred over various crystallographic sites. This strong Li ion disorder in cubic Al-stabilized LLZO contributes to the high conductivity observed. The Li jump rates and the activation energy probed by NMR are in very good agreement with the transport parameters obtained from electrical conductivity measurements. The activation energy E(a) characterizing long-range ion transport in the Al-stabilized cubic LLZO amounts to 0.34 eV. Total electric conductivities determined by ac impedance and a four point dc technique also agree very well and range from 1 × 10(-4) Scm(-1) to 4 × 10(-4) Scm(-1) depending on the Al content of the samples. The room temperature conductivity of Al-free tetragonal LLZO is about two orders of magnitude lower (2 × 10(-6) Scm(-1), E(a) = 0.49 eV activation energy). The electronic partial conductivity of cubic LLZO was measured using the Hebb-Wagner polarization technique. The electronic transference number t(e-) is of the order of 10(-7). Thus, cubic LLZO is an almost exclusive

  14. Formation of negative hydrogen ions in 7-keV OH+ + Ar and OH+ + acetone collisions: a general process for H-bearing molecular species

    CERN Document Server

    Juhász, Zoltán; Rangama, Jimmy; Bene, Erika; Sorgunlu-Frankland, Burcu; Frémont, François; Chesnel, Jean-Yves

    2015-01-01

    We demonstrate that the formation of negative hydrogen ions (H-) occurs in a wide class of atomic and molecular collisions. In our experiments, H- emission from hydroxyl cations and acetone molecules was observed in keV-energy collisions. We show that hydride (H-) anions are formed via direct collisional fragmentation of molecules, followed by electron grabbing by fast hydrogen fragments. Such general mechanism in hydrogen-containing molecules may significantly influence reaction networks in planetary atmospheres and astrophysical media and new reaction pathways may have to be added in radiolysis studies.

  15. Molecular dynamics study on ion diffusion in LiFePO4 olivine materials.

    Science.gov (United States)

    Zhang, Peixin; Wu, Yanpeng; Zhang, Dongyun; Xu, Qiming; Liu, Jianhong; Ren, Xiangzhong; Luo, Zhongkuan; Wang, Mingliang; Hong, Weiliang

    2008-06-19

    Molecular dynamics (MD) simulations have been employed to investigate the ionic diffusion and the structure of LiFePO 4 cathode material. The results correspond well with the published experimental observations. The simulation results indicated that the diffusion of lithium ions was thermally activated and more significant than those of other ions. Compared with other cathode materials, the shifts of ions were less significant in LiFePO 4. This suggested that LiFePO 4 was more thermally stable. The snapshots of the positions of lithium atoms over a range of the steps provided a microscopic picture and the picture showed the lithium ions migrated through one-dimension channels.

  16. Molecular theories and simulation of ions and polar molecules in water

    CERN Document Server

    Hummer, G; García, A; Hummer, Gerhard; Pratt, Lawrence R.; Garcia, Angel E.

    1998-01-01

    Recent developments in molecular theories and simulation of ions and polar molecules in water are reviewed. The hydration of imidazole and imidazolium solutes is used to exemplify the theoretical issues. The treatment of long-ranged electrostatic interactions in simulations is discussed extensively. It is argued that the Ewald approach is an easy way to get correct hydration free energies in the thermodynamic limit from molecular calculations; and that molecular simulations with Ewald interactions and periodic boundary conditions can also be more efficient than many common alternatives. The Ewald treatment permits a conclusive extrapolation to infinite system size. The picture that emerges from testing of simple models is that the most prominent failings of the simplest theories are associated with solvent proton conformations that lead to non-gaussian fluctuations of electrostatic potentials. Thus, the most favorable cases for the second-order perturbation theories are monoatomic positive ions. For polar and...

  17. Secondary electron emission from Au by medium energy atomic and molecular ions

    CERN Document Server

    Itoh, A; Obata, F; Hamamoto, Y; Yogo, A

    2002-01-01

    Number distributions of secondary electrons emitted from a Au metal surface have been measured for atomic and molecular ions of H sup + , He sup + , C sup + , N sup + , O sup + , H sup + sub 2 , H sup + sub 3 , HeH sup + , CO sup + and O sup + sub 2 in the energy range 0.3-2.0 MeV. The emission statistics obtained are described fairly well by a Polya function. The Polya parameter b, determining the distribution shape, is found to decrease monotonously with increasing emission yield gamma, revealing a surprising relationship of b gamma approx 1 over the different projectile species and impact energies. This finding supports certainly the electron cascading model. Also we find a strong negative molecular effect for heavier molecular ions, showing a significant reduction of gamma compared to the estimated values using constituent atomic projectile data.

  18. Photodetachment of a Homo-Nuclear Linear Tetra-Atomic Negative Molecular Ion

    Institute of Scientific and Technical Information of China (English)

    A. Rahman; Iftikhar Ahmad; A. Afaq; H. J. Zhao

    2012-01-01

    The photodetachment of a homo-nuclear linear tetra-atomic negative molecular ion is studied theoretically for an arbitrary laser polarization.An expression for the total cross section is obtained by using an extended version of the two center model,where each center acts as a source of coherent photodetached-electron waves.Strong oscillations on observation plane,placed at a large distance from the ion,are observed.The amplitude of these oscillations is maximum when the laser polarization is parallel to the molecular axis.Furthermore,the amplitude decreases as the angle between the laser polarization and molecular axis increases and consequently vanishes when they are perpendicular to each other.It is also found that if the distance between the adjacent centers is very small or very large,then the ampplitude of oscillations is negligibly small.%The photodetachment of a homo-nuclear linear tetra-atomic negative molecular ion is studied theoretically for an arbitrary laser polarization. An expression for the total cross section is obtained by using an extended version of the two center model, where each center acts as a source of coherent photodetached-electron waves. Strong oscillations on observation plane, placed at a large distance from the ion, are observed. The amplitude of these oscillations is maximum when the laser polarization is parallel to the molecular axis. Furthermore, the amplitude decreases as the angle between the laser polarization and molecular axis increases and consequently vanishes when they are perpendicular to each other. It is also found that if the distance between the adjacent centers is very small or very large, then the amplitude of oscillations is negligibly small.

  19. Greater hydrogen ion-induced depression of tension and velocity in skinned single fibres of rat fast than slow muscles.

    Science.gov (United States)

    Metzger, J M; Moss, R L

    1987-12-01

    .v.l., suggesting that apparent positive co-operativity of tension development had increased in soleus and decreased in d.v.l. and s.v.l. fibres. 6. These results (1) demonstrate an increased resistance to H+ ion-mediated contractile dysfunction in slow- compared to fast-twitch single fibres, and (2) support the hypothesis that muscular fatigue resulting from short-term, intense muscular contraction may in part be related to elevated H+ ion concentration.

  20. Protecting ITER walls: fast ion power loads in 3D magnetic field

    Science.gov (United States)

    Kurki-Suonio, T.; Särkimäki, K.; Äkäslompolo, S.; Varje, J.; Liu, Y.; Sipilä, S.; Asunta, O.; Hirvijoki, E.; Snicker, A.; Terävä, J.; Cavinato, M.; Gagliardi, M.; Parail, V.; Saibene, G.

    2017-01-01

    The fusion alpha and beam ion with steady-state power loads in all four main operating scenarios of ITER have been evaluated by the ASCOT code. For this purpose, high-fidelity magnetic backgrounds were reconstructed, taking into account even the internal structure of the ferritic inserts and tritium breeding modules (TBM). The beam ions were found to be almost perfectly confined in all scenarios, and only the so-called hybrid scenario featured alpha loads reaching 0.5 MW due to its more triangular plasma. The TBMs were not found to jeopardize the alpha confinement, nor cause any hot spots. Including plasma response did not bring dramatic changes to the load. The ELM control coils (ECC) were simulated in the baseline scenario and found to seriously deteriorate even the beam confinement. However, the edge perturbation in this case is so large that the sources have to be re-evaluated with plasma profiles that take into account the ECC perturbation.

  1. Fast ion transport in silver halide solid solutions and multiphase systems

    Science.gov (United States)

    Shahi, K.; Wagner, J. B., Jr.

    1980-01-01

    The incorporation of homovalent ions, e.g., I(-) in AgBr, leads to a substantial increase in ionic conductivity sigma. The charge compensation concept does not explain the enhancement. AgBr + 30 mol. % AgI exhibits sigma approximately 7/omega/cm at 380 C, which is approximately 170% larger than that of alpha-AgI, the best known superionic conductor, at its melting point. The purely elastic displacement caused by the foreign ion is suggested to be the origin of such a unique behavior. Furthermore, AgI-AgBr two-phase systems display sigma approximately 10 to the 3rd times higher than predicted by the classical theories.

  2. Design and Construction of a Fast Ion Loss Faraday Cup Array Diagnostic for JET

    Energy Technology Data Exchange (ETDEWEB)

    D.S. Darrow; S. Bauumel; F.E. Cecil; V. Kiptily; R. Ellis; L. Pedrick; A. Werner

    2004-04-26

    A thin foil Faraday cup array is being built to measure the loss of 3.5 MeV alpha particles and MeV ion cyclotron heating (ICH) tail ions on JET. It will consist of nine detectors spread over five different poloidal locations and three radial positions. They will measure the poloidal distribution and radial scrape off of the losses. The detectors will be comprised of four layers of thin (2.5 micron) Ni foil, giving some resolution of the lost particle energy distribution as different ranges of energies will stop in different layers of the detector. One detector will utilize eight thinner (1.0 micron) foils to obtain a better resolved energy distribution. These detectors will accept particles incident up to 45{sup o} from the normal to the foils.

  3. The molecular mechanism of multi-ion conduction in K{sup +} channels

    Energy Technology Data Exchange (ETDEWEB)

    Gwan, J.F.

    2007-01-19

    Steered molecular dynamics (SMD) simulation method is applied to a fully solvated membrane-channel model for studying the ion permeation process in potassium channels. The channel model is based on the crystallographic structure of a prokaryotic K{sup +} channel- the KcsA channel, which is a representative of most known eukaryotic K{sup +} channels. It has long been proposed that the ion transportation in a conventional K{sup +}-channel follows a multi-ion fashion: permeating ions line in a queue in the channel pore and move in a single file through the channel. The conventional view of multi-ion transportation is that the electrostatic repulsion between ions helps to overcome the attraction between ions and the channel pore. In this study, we proposed two SMD simulation schemes, referred to 'the single-ion SMD' simulations and 'the multi-ion SMD' simulations. Concerted movements of a K-W-K sequence in the selectivity filter were observed in the single-ion SMD simulations. The analysis of the concerted movement reveals the molecular mechanism of the multi-ion transportation. It shows that, rather than the long range electrostatic interaction, the short range polar interaction is a more dominant factor in the multi-ion transportation. The polar groups which play a role in the concerted transportation are the water molecules and the backbone carbonyl groups of the selectivity filter. The polar interaction is sensitive to the relative orientation of the polar groups. By changing the orientation of a polar group, the interaction may switch from attractive to repulsive or vice versa. By this means, the energy barrier between binding sites in the selectivity filter can be switched on and off, and therefore the K{sup +} may be able to move to the neighboring binding site without an external driving force. The concerted transportation in the selectivity filter requires a delicate cooperation between K{sup +}, waters, and the backbone carbonyl groups. To

  4. Molecular dynamics simulation analysis of ion irradiation effects on plasma-liquid interface

    Science.gov (United States)

    Minagawa, Yudai; Shirai, Naoki; Uchida, Satoshi; Tochikubo, Fumiyoshi

    2013-09-01

    Nonthermal atmospheric plasmas are used in a wide range of fields because the high-density plasma can be easily irradiated to various substances such as solid, liquid, biological object and so on. On the other hand, the mechanisms of physical and chemical phenomena at the plasma-liquid interface are not well understood yet. To investigate the effects of ion impact from plasma on water surface, we analyzed behavior of liquid water by classical molecular dynamics simulation. Simulation system consists of an irradiation particle in gas phase and 2000 water molecules in liquid phase. O+ ion with 10 eV or 100 eV was impinged on the water surface. Ion impact induced increasing water temperature and ejection of water molecules. The averaged number of evaporated water molecules by ion impact is 0.6 molecules at 10 eV and 7.0 molecules at 100 eV. The maximum ion penetration depth was 1.14 nm at 10 eV and 2.75 nm at 100 eV. Ion entering into water disturbs the stable hydrogen bonding configurations between water molecules and gives energy to water molecules. Some water molecules rotated and moved by ion interaction impact on other water molecules one after another. When the water molecule near the surface received strongly repulsive force, it released into gas phase. This work was supported financially in part by a Grant-in-Aid for Scientific Research on Innovation Areas (No21110007) from MEXT, Japan.

  5. IMF-induced escape of molecular ions from the Martian ionosphere

    Directory of Open Access Journals (Sweden)

    Y. Kubota

    2013-08-01

    Full Text Available Since Mars does not possess a significant global intrinsic magnetic field, the solar wind interacts directly with the Martian ionosphere and can induce ion escapes from it. Phobos-2 and recent Mars Express (MEX observations have shown that the escaping ions are O+ as well as molecular O2+ and CO2+. While O+ escape can be understood by the ion pick-up of non-thermal O corona extended around the planet, regarding the heavy molecular O2+ and CO2+, which are buried in the lower ionosphere, a novel escape mechanism needs to considered. Here we attack this problem by global magnetohydrodynamic (MHD simulations. First, we clarify the global structure of the streamlines that result from the interaction with the solar wind. Then, by focusing on the streamlines that dip into the low-altitude part of the dayside ionosphere, we investigate the escape path of the molecular ions. The effects of the interplanetary magnetic field (IMF on the molecular ion escape process are investigated by comparing the results with and without IMF. IMF has little effect on O+ escape via ion pick-up mediated by solar wind electron impact ionization of the O corona. O2+ and CO2+ are shoveled from the low-altitude regions of the dayside ionosphere by magnetic tension in the presence of IMF. These ions are pulled by the U-shaped field lines to the north and south poles, and at the terminator, they are concentrated in the noon–midnight meridian plane. These ions remain confined to the noon–midnight plane as they are transported to the nightside to form the tail ray. Then they escape along the streamlines open to the interplanetary space. Under a typical solar wind and IMF condition expected at Mars, O+, O2+ and CO2+ escape fluxes are 8.0 × 1023, 3.5 × 1023 and 5.0 × 1022 ion s−1, respectively, which are in good agreement with the MEX observations.

  6. Measurement of time dilation by laser spectroscopy on fast stored Lithium ions

    OpenAIRE

    Reinhardt, S.

    2005-01-01

    In der hier vorgelegten Arbeit werden Frequenzmessungen an schnellen Lithium Ionen als Test der Zeitdilatation vorgestellt. Die Messungen sind am Speicherring TSR am Max-Planck-Institut für Kernphysik durchgeführt worden. Die Übergangsfrequenz eines Zwei-Niveau-Systems im Lithium Ion wird bestimmt, indem eine dopplerfreie Fluoreszens-Sättigungsspektroskopie verwendet wird. Die Spektroskopie wird durch zwei gegenläufige Laser verwirklicht, die kollinear zum Ionenstrahl sind. Zwei Messungen bei...

  7. Synthesis of magnetic graphene nanocomposites decorated with ionic liquids for fast lead ion removal.

    Science.gov (United States)

    Sun, Weiyan; Li, Leilei; Luo, Chuannan; Fan, Lulu

    2016-04-01

    Seeking highly-efficient, low-cost and robust methods to remove metal ions from aqueous solutions is very much in demand. Here, we developed a novel magnetic composite bio-adsorbent, graphene oxide and magnetic chitosan-ionic liquids (GOMCS-ILs), for removing Pb(II) from water. This was the first time to combine ionic liquids and graphene oxide and magnetic chitosan, and apply to the adsorption of metal ions. The addition of ionic liquids can not only improve the dispersivity of the adsorbent, but also increase the adsorption sites. The characteristic result of FTIR, SEM, and XRD showed that GOMCS-ILs were prepared with large surface area and good magnetic responsiveness. The influence of various analytical parameters on the adsorption of Pb(II) such as pH, contact time, and initial ion concentration were studied in detail. The adsorption followed a pseudo second order kinetics. The equilibrium adsorption was well-described by the Langmuir isotherm model and the maximum adsorption capacity was to be 85mgg(-1). Moreover, the GOMCS-ILs could be repeatedly used by simple treatment without obvious structure and performance degradation. These results demonstrated the potential applications of GOMCS-ILs microspheres in efficient removal of Pb(II) from wastewater and deep-purification of polluted water.

  8. An ion gating mechanism of gastric H,K-ATPase based on molecular dynamics simulations.

    Science.gov (United States)

    Law, Richard J; Munson, Keith; Sachs, George; Lightstone, Felice C

    2008-09-15

    Gastric H,K-ATPase is an electroneutral transmembrane pump that moves protons from the cytoplasm of the parietal cell into the gastric lumen in exchange for potassium ions. The mechanism of transport against the established electrochemical gradients includes intermediate conformations in which the transferred ions are trapped (occluded) within the membrane domain of the pump. The pump cycle involves switching between the E1 and E2P states. Molecular dynamics simulations on homology models of the E2P and E1 states were performed to investigate the mechanism of K(+) movement in this enzyme. We performed separate E2P simulations with one K(+) in the luminal channel, one K(+) ion in the occlusion site, two K(+) ions in the occlusion site, and targeted molecular dynamics from E2P to E1 with two K(+) ions in the occlusion site. The models were inserted into a lipid bilayer system and were stable over the time course of the simulations, and K(+) ions in the channel moved to a consistent location near the center of the membrane domain, thus defining the occlusion site. The backbone carbonyl oxygen from residues 337 through 342 on the nonhelical turn of M4, as well as side-chain oxygen from E343, E795, and E820, participated in the ion occlusion. A single water molecule was stably bound between the two K(+) ions in the occlusion site, providing an additional ligand and partial shielding the positive charges from one another. Targeted molecular dynamics was used to transform the protein from the E2P to the E1 state (two K(+) ions to the cytoplasm). This simulation identified the separation of the water column in the entry channel as the likely gating mechanism on the luminal side. A hydrated exit channel also formed on the cytoplasmic side of the occlusion site during this simulation. Hence, water molecules became available to hydrate the ions. The movement of the M1M2 transmembrane segments, and the displacement of residues Q159, E160, Q110, and T152 during the

  9. Focus ion beam-induced mechanical stress switching in an ultra-fast resistive switching device

    Science.gov (United States)

    Yang, Xiang

    2016-06-01

    The Mo/Si3N4:Pt/Pt nanometallic resistive switching devices with ultra-fast write/erase speed (meta-stable state, while LRS (detrapping state) is a stable state. Strong mechanical stress facilitates local bond distortion in dielectric films and thus lowers the energy barrier between HRS and LRS, eventually leading to a barrier-less state transition. A quantitative model based on stress-mediated parallel conduction paths were established to provide a more accurate description of the resistive switching devices.

  10. Biomimetic supercontainers for size-selective electrochemical sensing of molecular ions

    Science.gov (United States)

    Netzer, Nathan L.; Must, Indrek; Qiao, Yupu; Zhang, Shi-Li; Wang, Zhenqiang; Zhang, Zhen

    2017-01-01

    New ionophores are essential for advancing the art of selective ion sensing. Metal-organic supercontainers (MOSCs), a new family of biomimetic coordination capsules designed using sulfonylcalix[4]arenes as container precursors, are known for their tunable molecular recognition capabilities towards an array of guests. Herein, we demonstrate the use of MOSCs as a new class of size-selective ionophores dedicated to electrochemical sensing of molecular ions. Specifically, a MOSC molecule with its cavities matching the size of methylene blue (MB+), a versatile organic molecule used for bio-recognition, was incorporated into a polymeric mixed-matrix membrane and used as an ion-selective electrode. This MOSC-incorporated electrode showed a near-Nernstian potentiometric response to MB+ in the nano- to micro-molar range. The exceptional size-selectivity was also evident through contrast studies. To demonstrate the practical utility of our approach, a simulated wastewater experiment was conducted using water from the Fyris River (Sweden). It not only showed a near-Nernstian response to MB+ but also revealed a possible method for potentiometric titration of the redox indicator. Our study thus represents a new paradigm for the rational design of ionophores that can rapidly and precisely monitor molecular ions relevant to environmental, biomedical, and other related areas. PMID:28393841

  11. Fast luminescence in vacuum ultraviolet region in heavy-ion-irradiated α-Al{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Koshimizu, Masanori, E-mail: koshi@qpc.che.tohoku.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-07 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan); Kimura, Kazuie [RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Fujimoto, Yutaka; Asai, Keisuke [Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-07 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan)

    2015-12-15

    We analyzed the time-resolved luminescence properties of α-Al{sub 2}O{sub 3} under heavy ion irradiations in the vacuum ultraviolet (VUV) wavelength region. A luminescence band at approximately 170 nm, at which a luminescence band was observed under VUV irradiation and was ascribed to self-shrunk excitons. The decay rate increased with the linear energy transfer (LET). The luminescence efficiency of the band increased sharply with the LET for the case of Xe irradiation, whose LET was estimated to be higher than the threshold LET for track formation. The fast decay rate and high luminescence intensity for Xe irradiation was explained according to the enhanced radiative rate caused by close interactions among excited states.

  12. Acceleration of cluster and molecular ions by TIARA 3 MV tandem accelerator

    CERN Document Server

    Saitoh, Y; Tajima, S

    2000-01-01

    We succeeded in accelerating molecular and cluster ions (B sub 2 sub - sub 4 , C sub 2 sub - sub 1 sub 0 , O sub 2 , Al sub 2 sub - sub 4 , Si sub 2 sub - sub 4 , Cu sub 2 sub - sub 3 , Au sub 2 sub - sub 3 , LiF, and AlO) to MeV energies with high-intensity beam currents by means of a 3 MV tandem accelerator in the TIARA facility. These cluster ions were generated by a cesium sputter-type negative ion source. We tested three types of carbon sputter cathodes in which graphite powder was compressed with different pressures. The pressure difference affected the generating ratio of clusters generated to single atom ions extracted from the source and it appeared that the high-density cathode was suitable. We also investigated the optimum gas pressure for charge exchange in the tandem high-voltage terminal. Clusters of larger size tend to require lower pressure than do smaller ones. In addition, we were able to obtain doubly charged AlO molecular ions. (authors)

  13. Modeling the response of a fast ion loss detector using orbit tracing techniques in a neutral beam prompt-loss study on the DIII-D tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Pace, D. C.; Heidbrink, W. W.; Muscatello, C. M.; Zhu, Y. B. [University of California-Irvine, Irvine, California 92697 (United States); Fisher, R. K.; Van Zeeland, M. A. [General Atomics, P.O. Box 85608, San Diego, California 92186-5608 (United States); Garcia-Munoz, M. [Max-Planck-Institut fuer Plasmaphysik, Garching D-85748 (Germany); Darrow, D. S.; Nazikian, R. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543-0451 (United States)

    2010-10-15

    A numerical model describing the expected measurements of neutral beam prompt-losses by a newly commissioned fast ion loss detector (FILD) in DIII-D is presented. This model incorporates the well understood neutral beam deposition profiles from all eight DIII-D beamlines to construct a prompt-loss source distribution. The full range of detectable ion orbit phase space available to the FILD is used to calculate ion trajectories that overlap with neutral beam injection footprints. Weight functions are applied to account for the level of overlap between these detectable orbits and the spatial and velocity (pitch) properties of ionized beam neutrals. An experimental comparison is performed by firing each neutral beam individually in the presence of a ramping plasma current. Fast ion losses determined from the model are in agreement with measured losses.

  14. Heterogeneous behavior of metalloproteins toward metal ion binding and selectivity: insights from molecular dynamics studies.

    Science.gov (United States)

    Gogoi, Prerana; Chandravanshi, Monika; Mandal, Suraj Kumar; Srivastava, Ambuj; Kanaujia, Shankar Prasad

    2016-07-01

    About one-third of the existing proteins require metal ions as cofactors for their catalytic activities and structural complexities. While many of them bind only to a specific metal, others bind to multiple (different) metal ions. However, the exact mechanism of their metal preference has not been deduced to clarity. In this study, we used molecular dynamics (MD) simulations to investigate whether a cognate metal (bound to the structure) can be replaced with other similar metal ions. We have chosen seven different proteins (phospholipase A2, sucrose phosphatase, pyrazinamidase, cysteine dioxygenase (CDO), plastocyanin, monoclonal anti-CD4 antibody Q425, and synaptotagmin 1 C2B domain) bound to seven different divalent metal ions (Ca(2+), Mg(2+), Zn(2+), Fe(2+), Cu(2+), Ba(2+), and Sr(2+), respectively). In total, 49 MD simulations each of 50 ns were performed and each trajectory was analyzed independently. Results demonstrate that in some cases, cognate metal ions can be exchanged with similar metal ions. On the contrary, some proteins show binding affinity specifically to their cognate metal ions. Surprisingly, two proteins CDO and plastocyanin which are known to bind Fe(2+) and Cu(2+), respectively, do not exhibit binding affinity to any metal ion. Furthermore, the study reveals that in some cases, the active site topology remains rigid even without cognate metals, whereas, some require them for their active site stability. Thus, it will be interesting to experimentally verify the accuracy of these observations obtained computationally. Moreover, the study can help in designing novel active sites for proteins to sequester metal ions particularly of toxic nature.

  15. Time slicing in 3D momentum imaging of the hydrogen molecular ion photo-fragmentation

    Science.gov (United States)

    Kaya, N.; Kaya, G.; Pham, F. V.; Strohaber, J.; Kolomenskii, A. A.; Schuessler, H. A.

    2017-02-01

    Photo-fragmentation of the hydrogen molecular ion was investigated with 800 nm, 50 fs laser pulses by employing a time slicing 3D imaging technique that enables the simultaneous measurement of all three momentum components which are linearly related with the pixel position and slicing time. This is done for each individual product particle arriving at the detector. This mode of detection allows us to directly measure the three-dimensional fragment momentum vector distribution without having to rely on mathematical reconstruction methods, which additionally require the investigated system to be cylindrically symmetric. We experimentally reconstruct the laser-induced photo-fragmentation of the hydrogen molecular ion. In previous experiments, neutral molecules were used as a target, but in this work, performed with molecular ions, the initial vibrational level populations are well-defined after electron bombardment, which facilitates the interpretation. We show that the employed time-slicing technique allows us to register the fragment momentum distribution that reflects the initial molecular states with greater detail, revealing features that were concealed in the full time-integrated distribution on the detector.

  16. Benchmarking of computational approaches for fast screening of lithium ion battery electrolyte solvents

    Science.gov (United States)

    Kim, Daejin; Guk, Hyein; Choi, Seung-Hoon; Chung, Dong Hyen

    2017-08-01

    Electrolyte solvents play an important role in lithium-ion batteries. Hence, investigation of the solvent is key to improving battery functionality. We performed benchmark calculations to suggest the best conditions for rapid screening of electrolyte candidates using semi-empirical (SEM) calculations and density functional theory (DFT). A wide selection of Hamiltonians, DFT levels, and basis sets were used for this benchmarking with typical electrolyte solvents. The most efficient condition for reducing computational costs and time is VWN/DNP+ for DFT levels and PM3 for SEM Hamiltonians.

  17. Fast timing with plastic scintillators for in-beam heavy-ion spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hoischen, R., E-mail: robert.hoischen@nuclear.lu.se [Department of Physics, Lund University, SE-22100 Lund (Sweden); GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Pietri, S. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Rudolph, D. [Department of Physics, Lund University, SE-22100 Lund (Sweden); Prokopowicz, W.; Schaffner, H. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Emde, S. [Lehrstuhl fuer Operations Management, Friedrich-Schiller-Universitaet Jena, D-07743 Jena (Germany); Golubev, P. [Department of Physics, Lund University, SE-22100 Lund (Sweden); Wendt, A. [Institut fuer Kernphysik, Universitaet zu Koeln, D-50937 Koeln (Germany); Kurz, N.; Wollersheim, H.J.; Gerl, J. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany)

    2011-10-21

    The design, R and D, and testing of a new plastic-scintillator detector for Time-of-Flight measurements with relativistic heavy-ion beams are presented. A design approach using 32 independent precise timing measurements of the same physical event is followed. This is different from the conventional scheme, which aims at two or four high-precision measurements. A circular, 27 cm in diameter, BC-420 plastic-scintillator sheet is read-out by 32 photomultiplier tubes in order to achieve an intrinsic detector resolution on the order of 10 ps root mean square.

  18. Automated identification and quantification of glycerophospholipid molecular species by multiple precursor ion scanning

    DEFF Research Database (Denmark)

    Ejsing, Christer S.; Duchoslav, Eva; Sampaio, Julio

    2006-01-01

    We report a method for the identification and quantification of glycerophospholipid molecular species that is based on the simultaneous automated acquisition and processing of 41 precursor ion spectra, specific for acyl anions of common fatty acids moieties and several lipid class-specific fragment...... ions. Absolute quantification of identified species was linear within a concentration range of 10 nM-100 microM and was achieved by spiking into total lipid extracts a set of synthetic lipid standards with diheptadecanoyl (17:0/17:0) fatty acid moieties, representing six common classes...

  19. Ion Pair in Extreme Aqueous Environments, Molecular-Based and Electric Conductance Approaches

    Energy Technology Data Exchange (ETDEWEB)

    Chialvo, Ariel A [ORNL; Gruszkiewicz, Miroslaw {Mirek} S [ORNL; Simonson, J Michael {Mike} [ORNL; Palmer, Donald [ORNL; Cole, David R [ORNL

    2009-01-01

    We determine by molecular-based simulation the density profiles of the Na+!Cl! ion-pair association constant in steam environments along three supercritical isotherms to interrogate the behavior of ion speciation in dilute aqueous solutions at extreme conditions. Moreover, we describe a new ultra-sensitive flow-through electric conductance apparatus designed to bridge the gap between the currently lowest steam-density conditions at which we are experimentally able to attain electric conductance measurements and the theoretically-reachable zero-density limit. Finally, we highlight important modeling challenges encountered near the zero-density limit and discuss ways to overcome them.

  20. Cluster secondary ion mass spectrometry and the temperature dependence of molecular depth profiles.

    Science.gov (United States)

    Mao, Dan; Wucher, Andreas; Brenes, Daniel A; Lu, Caiyan; Winograd, Nicholas

    2012-05-01

    The quality of molecular depth profiles created by erosion of organic materials by cluster ion beams exhibits a strong dependence upon temperature. To elucidate the fundamental nature of this dependence, we employ the Irganox 3114/1010 organic delta-layer reference material as a model system. This delta-layer system is interrogated using a 40 keV C(60)(+) primary ion beam. Parameters associated with the depth profile such as depth resolution, uniformity of sputtering yield, and topography are evaluated between 90 and 300 K using a unique wedge-crater beveling strategy that allows these parameters to be determined as a function of erosion depth from atomic force microscope (AFM) measurements. The results show that the erosion rate calibration performed using the known Δ-layer depth in connection with the fluence needed to reach the peak of the corresponding secondary ion mass spectrometry (SIMS) signal response is misleading. Moreover, we show that the degradation of depth resolution is linked to a decrease of the average erosion rate and the buildup of surface topography in a thermally activated manner. This underlying process starts to influence the depth profile above a threshold temperature between 210 and 250 K for the system studied here. Below that threshold, the process is inhibited and steady-state conditions are reached with constant erosion rate, depth resolution, and molecular secondary ion signals from both the matrix and the Δ-layers. In particular, the results indicate that further reduction of the temperature below 90 K does not lead to further improvement of the depth profile. Above the threshold, the process becomes stronger at higher temperature, leading to an immediate decrease of the molecular secondary ion signals. This signal decay is most pronounced for the highest m/z ions but is less for the smaller m/z ions, indicating a shift toward small fragments by accumulation of chemical damage. The erosion rate decay and surface roughness buildup

  1. Multiple Ionization of Free Ubiquitin Molecular Ions in Extreme Ultraviolet Free-Electron Laser Pulses.

    Science.gov (United States)

    Schlathölter, Thomas; Reitsma, Geert; Egorov, Dmitrii; Gonzalez-Magaña, Olmo; Bari, Sadia; Boschman, Leon; Bodewits, Erwin; Schnorr, Kirsten; Schmid, Georg; Schröter, Claus Dieter; Moshammer, Robert; Hoekstra, Ronnie

    2016-08-26

    The fragmentation of free tenfold protonated ubiquitin in intense 70 femtosecond pulses of 90 eV photons from the FLASH facility was investigated. Mass spectrometric investigation of the fragment cations produced after removal of many electrons revealed fragmentation predominantly into immonium ions and related ions, with yields increasing linearly with intensity. Ionization clearly triggers a localized molecular response that occurs before the excitation energy equilibrates. Consistent with this interpretation, the effect is almost unaffected by the charge state, as fragmentation of sixfold deprotonated ubiquitin leads to a very similar fragmentation pattern. Ubiquitin responds to EUV multiphoton ionization as an ensemble of small peptides.

  2. Recovering Paleo-Records from Antarctic Ice-Cores by Coupling a Continuous Melting Device and Fast Ion Chromatography.

    Science.gov (United States)

    Severi, Mirko; Becagli, Silvia; Traversi, Rita; Udisti, Roberto

    2015-11-17

    Recently, the increasing interest in the understanding of global climatic changes and on natural processes related to climate yielded the development and improvement of new analytical methods for the analysis of environmental samples. The determination of trace chemical species is a useful tool in paleoclimatology, and the techniques for the analysis of ice cores have evolved during the past few years from laborious measurements on discrete samples to continuous techniques allowing higher temporal resolution, higher sensitivity and, above all, higher throughput. Two fast ion chromatographic (FIC) methods are presented. The first method was able to measure Cl(-), NO3(-) and SO4(2-) in a melter-based continuous flow system separating the three analytes in just 1 min. The second method (called Ultra-FIC) was able to perform a single chromatographic analysis in just 30 s and the resulting sampling resolution was 1.0 cm with a typical melting rate of 4.0 cm min(-1). Both methods combine the accuracy, precision, and low detection limits of ion chromatography with the enhanced speed and high depth resolution of continuous melting systems. Both methods have been tested and validated with the analysis of several hundred meters of different ice cores. In particular, the Ultra-FIC method was used to reconstruct the high-resolution SO4(2-) profile of the last 10,000 years for the EDML ice core, allowing the counting of the annual layers, which represents a key point in dating these kind of natural archives.

  3. Double differential distribution of electron emission in the ionization of water molecules by fast bare oxygen ions

    Science.gov (United States)

    Bhattacharjee, Shamik; Biswas, Shubhadeep; Bagdia, Chandan; Roychowdhury, Madhusree; Nandi, Saikat; Misra, Deepankar; Monti, J. M.; Tachino, C. A.; Rivarola, R. D.; Champion, C.; Tribedi, Lokesh C.

    2016-03-01

    The doubly differential distributions of low-energy electron emission in the ionization of water molecules under the impact of fast bare oxygen ions with energy of 48 MeV are measured. The measured data are compared with two quantum-mechanical models, i.e. the post and prior versions of the continuum distorted wave-eikonal initial state (CDW-EIS) approximation, and the first-order Born approximation with initial and final wavefunctions verifying correct boundary conditions (CB1). An overall excellent qualitative agreement is found between the data and the CDW-EIS models whereas the CB1 model showed substantial deviation. However, the detailed angular distributions display some discrepancies with both CDW-EIS models. The single differential and total cross-sections exhibit good agreement with the CDW-EIS models. The present detailed data set could also be used as an input for modeling highly charged ion induced radiation damage in living tissues, whose most abundant component is water. Similar measurements are also carried out for a projectile energy of 60 MeV. However, since the double differential cross-section data show similar results the details are not provided here, except for the total ionization cross-sections results.

  4. Photoelectron momentum distributions of the hydrogen molecular ion driven by multicycle near-infrared laser pulses

    Science.gov (United States)

    Murakami, Mitsuko; Chu, Shih-I.

    2016-10-01

    The photoelectron momentum distributions (PMDs) of the hydrogen molecular ion H2+ driven by strong near-infrared laser pulses are studied based on the ab initio numerical solution of the time-dependent Schrödinger equation and the Volkov wave propagation. Both linear and circular polarization are considered, in accordance with the recent experiment by M. Odenweller et al. [Phys. Rev. A 89, 013424 (2014), 10.1103/PhysRevA.89.013424]. We will discuss the difference between the molecular (diatomic) and the atomic PMDs and the effect of molecular potential to the photoelectron energy. In particular, we demonstrate that the above-threshold ionization spectra of H2+ could upshift their energy when driven by a linearly polarized laser field parallel to the molecular axis.

  5. Safe and fast-charging Li-ion battery with long shelf life for power applications

    Science.gov (United States)

    Zaghib, K.; Dontigny, M.; Guerfi, A.; Charest, P.; Rodrigues, I.; Mauger, A.; Julien, C. M.

    We report a Li-ion battery that can be charged within few minutes, passes the safety tests, and has a very long shelf life. The active materials are nanoparticles of LiFePO 4 (LFP) and Li 4Ti 5O 12 (LTO) for the positive and negative electrodes, respectively. The LiFePO 4 particles are covered with 2 wt.% carbon to optimize the electrical conductivity, but not the Li 4Ti 5O 12 particles. The electrolyte is the usual carbonate solvent. The binder is a water-soluble elastomer. The "18650" battery prepared under such conditions delivers a capacity of 800 mAh. It retains full capacity after 20,000 cycles performed at charge rate 10C (6 min), discharge rate 5C (12 min), and retains 95% capacity after 30,000 cycles at charge rate 15C (4 mn) and discharge rate 5C both at 100% DOD and 100% SOC.

  6. Fast low-rank approximations of multidimensional integrals in ion-atomic collisions modelling

    CERN Document Server

    Litsarev, M S

    2015-01-01

    An efficient technique based on low-rank separated approximations is proposed for computation of three-dimensional integrals arising in the energy deposition model that describes ion-atomic collisions. Direct tensor-product quadrature requires grids of size $4000^3$ which is unacceptable. Moreover, several of such integrals have to be computed simultaneously for different values of parameters. To reduce the complexity, we use the structure of the integrand and apply numerical linear algebra techniques for the construction of low-rank approximation. The resulting algorithm is $10^3$ faster than spectral quadratures in spherical coordinates used in the original DEPOSIT code. The approach can be generalized to other multidimensional problems in physics.

  7. Fast separation of hen egg white protein with a phosphorylcholine type zwitterionic ion chromatography stationary phase

    Institute of Scientific and Technical Information of China (English)

    Qian Qu; Xiu Juan Yu; Xi Wu; Fei Shi; Li Li Wang

    2012-01-01

    In this work,a kind of preparation method of zwitterionic ion chromatography (ZIC) stationary phase modified with phosphorylcholine (PC) was obtained by hydrolyzing after bonding phosphorylcholine dichloride to diol-silica to better explore the characteristics of the PC groups as ZIC stationary phase ligand in simultaneous separation of acidic proteins and basic proteins.The results showed that two kinds of acidic proteins and three kinds of basic proteins can be separated completely,meanwhile,hen egg white was separated and purified and three kinds of egg white components ovalbumin,G2 ovoglobulin and ovotransfemin proteins were separated completely by one single step on PC-ZIC column,the purity of all proteins reached above 95%.PC-ZIC stationary phase was successfully improved with better separation capacity and selectivity than previously reported in this paper.

  8. Molecular modeling of the ion channel-like nanotube structure of amyloid β-peptide

    Institute of Scientific and Technical Information of China (English)

    JIAO Yong; YANG Pin

    2007-01-01

    The ion channel-like nanotube structure of the oligomers of amyloid β-peptide (Aβ) was first investigated by molecular modeling. The results reveal that the hydrogen bond net is one of the key factors to stabilize the structure. The hydrophobicity distribution mode of the side chains is in favor of the structure inserting into the bilayers and forming a hydrophilic pore. The lumen space is under the control of the negative potential, weaker but spreading continuously, to which the cation selectivity attributes; meanwhile, the alternate distribution of the stronger positive and negative potentials makes the electrostatic distribution of the structure framework balance, which is also one of the key factors stabilizing the structure. The results lay the theoretical foundation for illuminating the structure stability and the ion permeability, and give a clue to elucidating the molecular mechanism of Alzheimer's disease (AD) and designing novel drugs to prevent or reverse AD at the root.

  9. A novel protein refolding method integrating ion exchange chromatography with artificial molecular chaperone

    Institute of Scientific and Technical Information of China (English)

    Qin Ming Zhang; Chao Zhan Wang; Jiang Feng Liu; Li Li Wang

    2008-01-01

    Artificial molecular chaperone (AMC) and ion exchange chromatography (IEC) were integrated, thus a new refolding method,artificial molecular chaperone-ion exchange chromatography (AMC-IEC) was developed. Compared with AMC and IEC, theactivity recovery of lysozyme obtained by AMC-IEC was much higher in the investigated range of initial protein concentrations,and the results show that AMC-IEC is very efficient for protein refolding at high concentrations. When the initial concentration oflysozyme is 180 mg/mL, its activity recovery obtained by AMC-IEC is still as high as 76.6%, while the activity recoveries obtainedby AMC and IEC are 45.6% and 42.4%, respectively.2008 Chao Zhan Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  10. Molecular Simulations of Disulfide-Rich Venom Peptides with Ion Channels and Membranes

    Directory of Open Access Journals (Sweden)

    Evelyne Deplazes

    2017-02-01

    Full Text Available Disulfide-rich peptides isolated from the venom of arthropods and marine animals are a rich source of potent and selective modulators of ion channels. This makes these peptides valuable lead molecules for the development of new drugs to treat neurological disorders. Consequently, much effort goes into understanding their mechanism of action. This paper presents an overview of how molecular simulations have been used to study the interactions of disulfide-rich venom peptides with ion channels and membranes. The review is focused on the use of docking, molecular dynamics simulations, and free energy calculations to (i predict the structure of peptide-channel complexes; (ii calculate binding free energies including the effect of peptide modifications; and (iii study the membrane-binding properties of disulfide-rich venom peptides. The review concludes with a summary and outlook.

  11. Three-stage classical molecular dynamics model for simulation of heavy-ion fusion

    Directory of Open Access Journals (Sweden)

    Godre Subodh S.

    2015-01-01

    Full Text Available A three-stage Classical Molecular Dynamics (3S-CMD approach for heavy-ion fusion is developed. In this approach the Classical Rigid-Body Dynamics simulation for heavy-ion collision involving light deformed nucleus is initiated on their Rutherford trajectories at very large initial separation. Collision simulation is then followed by relaxation of the rigid-body constrains for one or both the colliding nuclei at distances close to the barrier when the trajectories of all the nucleons are obtained in a Classical Molecular Dynamics approach. This 3S-CMD approach explicitly takes into account not only the long range Coulomb reorientation of the deformed collision partner but also the internal vibrational excitations of one or both the nuclei at distances close to the barrier. The results of the dynamical simulation for 24Mg+208Pb collision show significant modification of the fusion barrier and calculated fusion cross sections due to internal excitations.

  12. Molecular mechanisms of decomposition of hydrated Na+Cl- ion pairs under planar nanopore conditions

    Science.gov (United States)

    Shevkunov, S. V.

    2017-02-01

    The decomposition of Na+Cl- ion pairs under the conditions of a nanoscopic planar pore with structureless walls in a material contact with water vapor at 298 K is simulated by Monte Carlo method. The transition from the state of a contact ion pair (CIP) to the state of solvent-separated ion pair (SSIP) is shown to occur as a result of an increase in the vapor pressure over a pore after exceeding the threshold number of molecules in a hydrate shell. It is found that the planar form of a molecular cluster under the conditions of a narrow pore does not level an abrupt structural transition and the formation of hydrogen bonds in the hydrate shell starts after three molecules are added. The hydrogen bond length under pore conditions is found to be resistant to variations in the hydrate shell size and coincides with that in water under normal conditions.

  13. Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations

    Science.gov (United States)

    Genreith-Schriever, A. R.; De Souza, R. A.

    2016-12-01

    Classical molecular-dynamics simulations were used to examine the effect of an electric field on the mobility of oxygen ions in the model crystalline oxide CeO2. Simulation cells containing oxygen vacancies were subjected at temperatures 1000 ≤T /K ≤1600 to electric field strengths 0.1 ≤E /MV cm-1≤40 to obtain the oxygen-ion mobility ui(E ,T ) . In addition, static nudged-elastic-band calculations were performed to obtain directly the forward/reverse barriers for oxygen-ion migration, Δ Hmigf /r . Qualitatively, ui behaves as expected: independent of E at low values of E and exponentially dependent on E at high values. The quantitative (standard) Mott-Gurney treatment, however, underestimates Δ Hmigf at high E and thus overestimates ui. A new, superior analytical expression for ui(E ,T ) is consequently derived.

  14. Coupling all-atom molecular dynamics simulations of ions in water with Brownian dynamics

    CERN Document Server

    Erban, Radek

    2015-01-01

    Molecular dynamics (MD) simulations of ions (K$^+$, Na$^+$, Ca$^{2+}$ and Cl$^-$) in aqueous solutions are investigated. Water is described using the SPC/E model. A stochastic coarse-grained description for ion behaviour is presented and parameterized using MD simulations. It is given as a system of coupled stochastic and ordinary differential equations, describing the ion position, velocity and acceleration. The stochastic coarse-grained model provides an intermediate description between all-atom MD simulations and Brownian dynamics (BD) models. It is used to develop a multiscale method which uses all-atom MD simulations in parts of the computational domain and (less detailed) BD simulations in the remainder of the domain.

  15. Towards using molecular ions as qubits: Femtosecond control of molecular fragmentation with multiple knobs

    Indian Academy of Sciences (India)

    Tapas Goswami; Dipak K Das; Debabrata Goswami

    2010-12-01

    Non-resonant molecular fragmentation of n-propyl benzene with femtosecond laser pulses is dependent on the phase and polarization characteristics of the laser. We find that the effect of the chirp and polarization of the femtosecond pulse when applied simultaneously is mutually independent of each other, which makes chirp and polarization as useful ‘logic’ implementing knobs.

  16. Nodal structure of the wave function for a two-dimensionalhydrogen molecular ion

    Institute of Scientific and Technical Information of China (English)

    段宜武; 周光辉; 鲍诚光; 袁建民

    1996-01-01

    Under the Born-Oppenheimer approximation, the exact solution of the Schrodinger equation for a two-dimensional hydrogen molecular ion is obtained through separation of variables. The inter-quantum numbers and the modes of internal motion are determined by analysing the nodal structure of the wavefunction. The eigenstates are classified and the classical periodic orbits corresponding to the modes of internal motion are found. two-center molecule, nodal structure, mode of internal motion.

  17. Molecular Dynamics Simulation of the Antiamoebin Ion Channel: Linking Structure and Conductance

    Science.gov (United States)

    Wilson, Michael A.; Wei, Chenyu; Bjelkmar, Paer; Wallace, B. A.; Pohorille, Andrew

    2011-01-01

    Molecular dynamics simulations were carried out in order to ascertain which of the potential multimeric forms of the transmembrane peptaibol channel, antiamoebin, is consistant with its measured conductance. Estimates of the conductance obtained through counting ions that cross the channel and by solving the Nernst-Planck equation yield consistent results, indicating that the motion of ions inside the channel can be satisfactorily described as diffusive.The calculated conductance of octameric channels is markedly higher than the conductance measured in single channel recordings, whereas the tetramer appears to be non-conducting. The conductance of the hexamer was estimated to be 115+/-34 pS and 74+/-20 pS, at 150 mV and 75 mV, respectively, in satisfactory agreement with the value of 90 pS measured at 75 mV. On this basis we propose that the antiamoebin channel consists of six monomers. Its pore is large enough to accommodate K(+) and Cl(-) with their first solvation shells intact. The free energy barrier encountered by K(+) is only 2.2 kcal/mol whereas Cl(-) encounters a substantially higher barrier of nearly 5 kcal/mol. This difference makes the channel selective for cations. Ion crossing events are shown to be uncorrelated and follow Poisson statistics. keywords: ion channels, peptaibols, channel conductance, molecular dynamics

  18. Kilohertz sources of hard x rays and fast ions with femtosecond laser plasmas

    Science.gov (United States)

    Thoss, A.; Richardson, M.; Korn, G.; Faubel, M.; Stiel, H.; Vogt, U.; Elsaesser, T.

    2003-01-01

    We demonstrate a new, stable, kilohertz femtosecond laser plasma source of hard-x-ray continuum and Kα emission that uses a microscopic liquid jet target that is continuous and debris free. Plasmas produced by ultrashort (50-fs) intense laser pulses from a fine (10-30-μm diameter) liquid Ga jet emit bright 9.3- and 10.3-keV Kα and Kβ lines superimposed on a multikilovolt bremmstrahlung continuum. Kilohertz femtosecond x-ray sources will find many applications in time-resolved x-ray diffraction and microscopy studies. As high-intensity lasers become more compact and operate at increasingly high repetition-rates, they require a target configuration that is both repeatable from shot to shot and debris free. Our target provides a pristine, unperturbed filament surface at rates >100 kHz. A number of liquid metal targets are considered. We show the hard-x-ray spectrum described above. The source was generated by a 50-fs-duration, 1-kHz, 2-W, high-intensity Ti:sapphire laser. Using the same technology, we also generate forward-going sub-mega-electron-volt (sub-MeV) protons from a 10-μm liquid water target at 1-kHz repetition rates. Kilohertz sources of high-energy ions will find many applications in time-resolved particle interaction studies and will lead to efficient generation of short-lived isotopes for use in nuclear medicine and other applications. The protons were detected with CR-39 track detectors in both the forward and the backward directions up to energies of ~500 keV. As the intensity of compact high-repetition-rate lasers sources increases, we can expect improvements in the energy, conversion efficiency, and directionality to occur. The effect of these developments is discussed. As compact, high-repetition-rate femtosecond laser technology reaches focused intensities of ~1019 W/cm2, many new applications of high-repetition-rate hard-x-ray and MeV ion sources will become practical.

  19. kHz femtosecond laser-plasma hard X-ray and fast ion source

    Science.gov (United States)

    Thoss, A.; Korn, G.; Richardson, M. C.; Faubel, M.; Stiel, H.; Voigt, U.; Siders, C. W.; Elsaesser, T.

    2002-04-01

    We describe the first demonstration of a new stable, kHz femtosecond laser-plasma source of hard x-ray continuum and Kα emission using a thin liquid metallic jet target. kHz femtosecond x-ray sources will find many applications in time-resolved x-ray diffraction and microscopy studies. As high intensity lasers become more compact and operate at increasingly high repetition-rates, they require a target configuration that is both repeatable from shot-to-shot and is debris-free. We have solved this requirement with the use of a fine (10-30 μm diameter) liquid metal jet target that provides a pristine, unperturbed filament surface at rates >100 kHz. A number of liquid metal targets are considered. We will show hard x-ray spectra recorded from liquid Ga targets that show the generation of the 9.3 keV and 10.3 keV, Kα and Kβ lines superimposed on a multi-keV Bremsstrahlung continuum. This source was generated by a 50fs duration, 1 kHz, 2W, high intensity Ti:Sapphire laser. We will discuss the extension of this source to higher powers and higher repetition rates, providing harder x-ray emission, with the incorporation of pulse-shaping and other techniques to enhance the x-ray conversion efficiency. Using the same liquid target technology, we have also demonstrated the generation of forward-going sub-MeV protons from a 10 μm liquid water target at 1 kHz repetition rates. kHz sources of high energy ions will find many applications in time-resolved particle interaction studies, as well as lead to the efficient generation of short-lived isotopes for use in nuclear medicine and other applications. The protons were detected with CR-39 track detectors both in the forward and backward directions up to energies of ~500 keV. As the intensity of compact high repetition-rate lasers sources increase, we can expect improvements in the energy, conversion efficiency and directionality to occur. The impact of these developments on a number of fields will be discussed. As compact

  20. Ion mobility spectrometry as a fast analytical tool in benzalkonium chloride homologs determination.

    Science.gov (United States)

    Gallart-Mateu, D; Armenta, S; Esteve-Turrillas, F A; de la Guardia, M

    2017-03-01

    A novel procedure is proposed for the determination by ion mobility spectrometry (IMS) of C12, C14 and C16 benzalkonium chloride (BAC) homologs. The proposed method requires minimum sample treatment and the measurement was made in less than one minute. A high sensitivity was obtained for BAC determination by IMS with limit of detection values from 37 to 69µgL(-1). Accuracy of the proposed methodology was evaluated through the analysis of aqueous and alcoholic samples spiked with BAC at concentration levels from 0.002% to 20% (w/v), providing recovery values from 91% to 104%. BAC was determined in sanitary alcohols, nasal sprays, postharvest products, algaecides, and treated swimming pool water. Results obtained by the proposed IMS methodology were statistically comparable to those provided by a liquid chromatography-ultraviolet (LC-UV) reference methodology. The Green Certificate evaluation of the proposed IMS methodology provided 91 score points in the Eco-Scale as compared with 77 for LC-UV method.

  1. Fast computation of the electrolyte-concentration transfer function of a lithium-ion cell model

    Science.gov (United States)

    Rodríguez, Albert; Plett, Gregory L.; Trimboli, M. Scott

    2017-08-01

    One approach to creating physics-based reduced-order models (ROMs) of battery-cell dynamics requires first generating linearized Laplace-domain transfer functions of all cell internal electrochemical variables of interest. Then, the resulting infinite-dimensional transfer functions can be reduced by various means in order to find an approximate low-dimensional model. These methods include Padé approximation or the Discrete-Time Realization algorithm. In a previous article, Lee and colleagues developed a transfer function of the electrolyte concentration for a porous-electrode pseudo-two-dimensional lithium-ion cell model. Their approach used separation of variables and Sturm-Liouville theory to compute an infinite-series solution to the transfer function, which they then truncated to a finite number of terms for reasons of practicality. Here, we instead use a variation-of-parameters approach to arrive at a different representation of the identical solution that does not require a series expansion. The primary benefits of the new approach are speed of computation of the transfer function and the removal of the requirement to approximate the transfer function by truncating the number of terms evaluated. Results show that the speedup of the new method can be more than 3800.

  2. Eigenmode formations of m = 1 fast Alfven waves in the ion-cyclotron frequency range in the GAMMA 10 central cell

    Energy Technology Data Exchange (ETDEWEB)

    Yamaguchi, Y [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan); Ichimura, M [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan); Higaki, H [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan); Kakimoto, S [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan); Nakagome, K [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan); Nemoto, K [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan); Katano, M [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan); Nakajima, H [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan); Fukuyama, A [Department of Nuclear Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501 (Japan); Cho, T [Plasma Research Center, University of Tsukuba, Tsukuba, Ibaraki 305-8577 (Japan)

    2006-08-15

    The formation of eigenmodes with the m = 1 fast Alfven waves in the ion-cyclotron range of frequency are investigated in the axisymmetric central cell of the GAMMA 10 tandem mirror. When the fast waves with frequencies near the fundamental ion-cyclotron frequency have been used for the plasma production, the saturation in the density has been observed. The spatial structure of the excited wave field is calculated in the central cell using a two-dimensional full wave code. The results of numerical analysis indicate that the increase in plasma density depends strongly on the eigenmode formations associated with the boundary conditions. The results of numerical analysis are compared with the results of measurements of the waves with magnetic probes. A very good degree of agreement is found between the theoretical results and the experimental results. It is suggested that the simultaneous excitation of several radial eigenmodes with high-harmonic fast waves is effective for higher density plasma production.

  3. Cavity-induced phase stability to decelerate a fast molecular beam via feedback-controlled time-varying optical pumps

    CERN Document Server

    Lan, Zhihao

    2014-01-01

    We have identified a novel phase stability mechanism from the intracavity field-induced self-organization of a fast-moving molecular beam into travelling molecular packets in the bad cavity regime, which is then used to decelerate the molecular packets by feedback-controlled time-varying laser pumps to the cavity. We first applied the linear stability analysis to derive an expression for this self-organization in the adiabatic limit and show that the self-organization of the beam leads to the formation of travelling molecular packets, which in turn function as a dynamic Bragg grating, thus modulating periodically the intracavity field by superradiant scattering of the pump photons. The modulation encodes the position information of the molecular packets into the output of the intracavity field instantaneously. We then applied time-varying laser pumps that are automatically switched by the output of the intracavity field to slow down the molecular packets via a feedback mechanism and found that most of the mol...

  4. Multi-ion detection and molecular switching behaviour of reversible dual fluorescent sensor

    Science.gov (United States)

    Basheer, Sabeel M.; Muralisankar, M.; Anjana, T. V.; Aneesrahman, K. N.; Sreekanth, Anandaram

    2017-07-01

    The selective chemosensing behaviour of imidazole bisthiocarbohydrazone (IBTC) towards F- and Cu2 + are studied via colorimetric, UV-Visible, fluorescence spectra studies, and binding constants were calculated. The 1H NMR titration study strongly support that the deprotonation of IBTC followed by the hydrogen bond formation via N1sbnd H1 and N2sbnd H2 protons with fluoride ion. The fluorescence inactive IBTC-Cu complex became fluorescence active in the presence of perchlorate (ClO4-) ion. The selective detection of perchlorate ion was also explained. The F- sensing mechanism of IBTC has been investigated by Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TDDFT) methods. The theoretical outcomes well reproduce the experimental results. And it concluded the Nsbnd H protons, nearby the imine group was first captured by the added F- ion and then deprotonation happened followed by the formation of hydrogen bond. The IBTC found good reversibility character with the alternative addition of Ca2 + and F-. The multi-ion detection of IBTC was used to construct the NOR, OR and INHIBITION molecular logic gates.

  5. Molecular Dynamics Simulations of Ion Transport and Mechanisms in Polymer Nanocomposites

    Science.gov (United States)

    Mogurampelly, Santosh; Ganesan, Venkat

    2015-03-01

    Using all atom molecular dynamics and trajectory-extending kinetic Monte Carlo simulations, we study the influence of Al2O3 nanoparticles on the transport properties of Li+ ions in polymer electrolytes consisting of polyethylene oxide (PEO) melt solvated with LiBF4 salt. We observe that the nanoparticles have a strong influence on polymer segmental dynamics which in turn correlates with the mobility of Li+ ions. Explicitly, polymer segmental relaxation times and Li+ ion residence times around polymer were found to increase with the addition of nanoparticles. We also observe that increasing short range repulsive interactions between nanoparticles and polymer membrane leads to increasing polymer dynamics and ion mobility. Overall, our simulation results suggest that nanoparticle induced changes in conformational and dynamic properties of the polymer influences the ion mobilities in polymer electrolytes and suggests possible directions for using such findings to improve the polymer matrix conductivity. The authors acknowledge the Texas Advanced Computing Center (TACC) at The University of Texas at Austin for providing computing resources that have contributed to the research.

  6. Rotation of cold molecular ions inside a Bose-Einstein condensate

    CERN Document Server

    Midya, Bikashkali; Schmidt, Richard; Lemeshko, Mikhail

    2016-01-01

    We use recently developed angulon theory [Phys. Rev. Lett. 114, 203001 (2015)] to study the rotational spectrum of a cyanide molecular anion immersed into Bose-Einstein condensates of rubidium and strontium. Based on $\\textit {ab initio}$ potential energy surfaces, we provide a detailed study of the rotational Lamb shift and many-body-induced fine structure which arise due to dressing of molecular rotation by a field of phonon excitations. We demonstrate that the magnitude of these effects is large enough in order to be observed in modern experiments on cold molecular ions. Furthermore, we introduce a novel method to construct pseudopotentials starting from the $\\textit {ab initio}$ potential energy surfaces, which provides a means to obtain effective coupling constants for low-energy polaron models.

  7. Lifetimes and stabilities of familiar explosive molecular adduct complexes during ion mobility measurements.

    Science.gov (United States)

    McKenzie-Coe, Alan; DeBord, John Daniel; Ridgeway, Mark; Park, Melvin; Eiceman, Gary; Fernandez-Lima, Francisco

    2015-08-21

    Trapped ion mobility spectrometry coupled to mass spectrometry (TIMS-MS) was utilized for the separation and identification of familiar explosives in complex mixtures. For the first time, molecular adduct complex lifetimes, relative stability, binding energies and candidate structures are reported for familiar explosives. Experimental and theoretical results showed that the adduct size and reactivity, complex binding energy and the explosive structure tailor the stability of the molecular adduct complex. The flexibility of TIMS to adapt the mobility separation as a function of the molecular adduct complex stability (i.e., short or long IMS experiments/low or high IMS resolution) permits targeted measurements of explosives in complex mixtures with high confidence levels.

  8. Copper ion implanted aluminum nitride dilute magnetic semiconductors (DMS) prepared by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Shah, A., E-mail: attaullah77@yahoo.com [National Institute of Lasers and Optronics (NILOP), PO Nilore, Islamabad (Pakistan); DMME, Pakistan Institute of Engineering and Applied Science (PIEAS), PO Nilore, Islamabad (Pakistan); Ahmad, Jamil [DMME, Pakistan Institute of Engineering and Applied Science (PIEAS), PO Nilore, Islamabad (Pakistan); Ahmad, Ishaq [Experimental Physics Lab, National Center for Physics (NCP), Islamabad (Pakistan); Mehmood, Mazhar [DMME, Pakistan Institute of Engineering and Applied Science (PIEAS), PO Nilore, Islamabad (Pakistan); Mahmood, Arshad [National Institute of Lasers and Optronics (NILOP), PO Nilore, Islamabad (Pakistan); Rasheed, Muhammad Asim [DMME, Pakistan Institute of Engineering and Applied Science (PIEAS), PO Nilore, Islamabad (Pakistan)

    2014-10-30

    Highlights: • AlN:Cu dilute magnetic semiconductors were successfully prepared by molecular beam epitaxy followed by Cu{sup +} implantation. • Room temperature ferromagnetism was observed after annealing the samples at appropriate temperature. • XRD and Raman spectrometry excluded the possibility of formation of any secondary phases. • By doping intrinsically nonmagnetic dopants (Cu), it has been proved experimentally that their precipitates do not contribute to ferromagnetism. • The reason for ferromagnetism in Cu-doped AlN as observed was explained on the basis of p–d hybridization mechanism (Wu et al.). - Abstract: Diluted magnetic semiconductor (DMS) AlN:Cu films were fabricated by implanting Cu{sup +} ions into AlN thin films at various ion fluxes. AlN films were deposited on c-plane sapphire by molecular beam epitaxy followed by Cu{sup +} ion implantation. The structural and magnetic characterization of the samples was performed through Rutherford backscattering and channeling spectrometry (RBS/C), X-ray diffraction (XRD), Raman spectroscopy, vibrating sample magnetometer (VSM) and SQUID. Incorporation of copper into the AlN lattice was confirmed by RBS, while XRD revealed that no new phase was formed as a result of ion implantation. RBS also indicated formation of defects as a result of implantation process and the depth and degree of damage increased with an increase in ion fluence. Raman spectra showed only E{sub 2} (high) and A{sub 1} (LO) modes of wurtzite AlN crystal structure and confirmed that no secondary phases were formed. It was found that both Raman modes shift with Cu{sup +} fluences, indicating that Cu ion may go to interstitial or substitutional sites resulting in distortion or damage of lattice. Although as implanted samples showed no magnetization, annealing of the samples resulted in appearance of room temperature ferromagnetism. The saturation magnetization increased with both the annealing temperature as well as with ion

  9. Development of a molecularly imprinted polymer for pyridoxine using an ion-pair as template.

    Science.gov (United States)

    Alizadeh, Taher

    2008-08-01

    One of the main challenges in the molecularly imprinted polymers (MIP) field is the proper MIP design for water-soluble compounds because of appearance of serious drawbacks in polar solvents and insolubility of those compounds in non-polar solvents which are commonly used for MIP synthesis. In this work a novel and simple method for synthesis of molecularly imprinted polymers for a water-soluble compound was introduced. Pyridoxine was chosen as a target molecule and the ion-pair complex formed between pyridoxine ion (Py(+)) and dodecyl sulfate ion (DS(-)) was transferred into the chloroform via liquid-liquid extraction. Then polymerization was carried out in chloroform. The molecular mechanics and density functional theory were proposed to screen proper monomer. Binding energy, DeltaE, of a template and a monomer as a measure of their interaction was considered. Ion-pair [Py(+)-DS(-)] was supposed as a template molecule and acrylic acid, methacrylic acid, allyamine, vinylpridine and 2-hydroxy ethyl methacrylate were as tested monomers. The MIP synthesized using acrylic acid showed the highest selectivity to pyridoxine as predicted from the DeltaE calculation. The obtained MIP showed very high affinity against vitamin B6 in comparison to non-imprinted polymers (NIP). It was proved that the obtained MIP with introduced method was much better than that prepared in methanol as porogen. It was showed that the MIP prepared by this new method could be used as an adsorber for extraction and determination of pyridoxine in real and synthetic samples.

  10. Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model-specific ion parameters.

    Science.gov (United States)

    Joung, In Suk; Cheatham, Thomas E

    2009-10-01

    The dynamic and energetic properties of the alkali and halide ions were calculated using molecular dynamics (MD) and free energy simulations with various different water and ion force fields including our recently developed water-model-specific ion parameters. The properties calculated were activity coefficients, diffusion coefficients, residence times of atomic pairs, association constants, and solubility. Through calculation of these properties, we can assess the validity and range of applicability of the simple pair potential models and better understand their limitations. Due to extreme computational demands, the activity coefficients were only calculated for a subset of the models. The results qualitatively agree with experiment. Calculated diffusion coefficients and residence times between cation-anion, water-cation, and water-anion showed differences depending on the choice of water and ion force field used. The calculated solubilities of the alkali-halide salts were generally lower than the true solubility of the salts. However, for both the TIP4P(EW) and SPC/E water-model-specific ion parameters, solubility was reasonably well-reproduced. Finally, the correlations among the various properties led to the following conclusions: (1) The reliability of the ion force fields is significantly affected by the specific choice of water model. (2) Ion-ion interactions are very important to accurately simulate the properties, especially solubility. (3) The SPC/E and TIP4P(EW) water-model-specific ion force fields are preferred for simulation in high salt environments compared to the other ion force fields.

  11. Observation of the molecular organization of calcium release sites in fast- and slow-twitch skeletal muscle with nanoscale imaging.

    Science.gov (United States)

    Jayasinghe, Isuru D; Munro, Michelle; Baddeley, David; Launikonis, Bradley S; Soeller, Christian

    2014-10-06

    Localization microscopy is a fairly recently introduced super-resolution fluorescence imaging modality capable of achieving nanometre-scale resolution. We have applied the dSTORM variation of this method to image intracellular molecular assemblies in skeletal muscle fibres which are large cells that critically rely on nanoscale signalling domains, the triads. Immunofluorescence staining in fixed adult rat skeletal muscle sections revealed clear differences between fast- and slow-twitch fibres in the molecular organization of ryanodine receptors (RyRs; the primary calcium release channels) within triads. With the improved resolution offered by dSTORM, abutting arrays of RyRs in transverse view of fast fibres were observed in contrast to the fragmented distribution on slow-twitch muscle that were approximately 1.8 times shorter and consisted of approximately 1.6 times fewer receptors. To the best of our knowledge, for the first time, we have quantified the nanometre-scale spatial association between triadic proteins using multi-colour super-resolution, an analysis difficult to conduct with electron microscopy. Our findings confirm that junctophilin-1 (JPH1), which tethers the sarcoplasmic reticulum ((SR) intracellular calcium store) to the tubular (t-) system at triads, was present throughout the RyR array, whereas JPH2 was contained within much smaller nanodomains. Similar imaging of the primary SR calcium buffer, calsequestrin (CSQ), detected less overlap of the triad with CSQ in slow-twitch muscle supporting greater spatial heterogeneity in the luminal Ca2+ buffering when compared with fast twitch muscle. Taken together, these nanoscale differences can explain the fundamentally different physiologies of fast- and slow-twitch muscle.

  12. Molecular Ultrasound Imaging of Early Vascular Response in Prostate Tumors Irradiated with Carbon Ions

    Directory of Open Access Journals (Sweden)

    Moritz Palmowski

    2009-09-01

    Full Text Available Individualized treatments with combination of radiotherapy and targeted drugs require knowledge about the behavior of molecular targets after irradiation. Angiogenic marker expression has been studied after conventional radiotherapy, but little is known about marker response to charged particles. For the very first time, we used molecular ultrasound imaging to intraindividually track changes in angiogenic marker expression after carbon ion irradiation in experimental tumors. Expression of intercellular adhesion molecule-1 (ICAM-1 and of αvβ3-integrin in subcutaneous AT-1 prostate cancers in rats treated with carbon ions (16 Gy was studied using molecular ultrasound and immunohistochemistry. For this purpose, cyanoacrylate microbubbles were synthesized and linked to specific ligands. The accumulation of targeted microbubbles in tumors was quantified before and 36 hours after irradiation. In addition, tumor vascularization was analyzed using volumetric Doppler ultrasound. In tumors, the accumulation of targeted microbubbles was significantly higher than in nonspecific ones and could be inhibited competitively. Before irradiation, no difference in binding of αvβ3-integrin-specific or ICAM-1-specific microbubbles was observed in treated and untreated animals. After irradiation, however, treated animals showed a significantly higher binding of αvβ3-integrin-specific microbubbles and an enhanced binding of ICAM-1-specific microbubbles than untreated controls. In both groups, a decrease in vascularization occurred during tumor growth, but no significant difference was observed between irradiated and nonirradiated tumors. In conclusion, carbon ion irradiation upregulates ICAM-1 and αvβ3-integrin expression in tumor neovasculature. Molecular ultrasound can indicate the regulation of these markers and thus may help to identify the optimal drugs and time points in individualized therapy regimens.

  13. Interaction between fast ions and ion cyclotron heating in a tokamak plasma; Interaction des ions rapides avec les ondes a la frequence cyclotronique ionique dans un plasma de tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Bergeaud, V

    2001-11-01

    In an ignited fusion reactor, the plasma temperature is sustained by the fusion reactions. However, before this regime is reached, it is necessary to bring an additional power to the plasma. One of the methods that enables the coupling of power is the use of an electromagnetic wave in the ion cyclotron range of frequencies (ICRF). This thesis deals with the interaction between ICRF heating and the fast ions. The thesis contains a theoretical study of the influence of ICRF heating on the ion distribution function. A particular emphasis is put on the importance of the toroidal spectrum of the modes of propagation of the wave in the tokamak. It is necessary to take into account all these modes in order to correctly assess the strength of the wave particle interaction, especially for high energy particles (of the order of hundreds of keV). The classical treatment of the wave particle interaction is based on the hypothesis that the cyclotron phase of the particle and the wave phase are de-correlated between successive resonant interactions. One is therefore led to consider ICRF heating as a diffusive process. This hypothesis is reconsidered in this thesis and it is shown that strong correlations exist in a large part of the velocity space. For this study, a numerical code that computes the full trajectory of particles interacting with a complete electromagnetic field has been developed. The thesis also deals with the problem of fast ion losses due to the breaking of the toroidal symmetry of the confinement magnetic field (called the ripple modulation). Between two toroidal coils, local magnetic wells exist, and particles can be trapped there. When trapped they undergo a vertical drift that makes them quit the plasma rapidly. The ripple modulation also causes an enhancement of the radial diffusion, thereby increasing the losses. A Monte Carlo model describing these mechanisms is presented. This model is validated thanks to a comparison with an experimental database from

  14. Interaction of fast ions with ion cyclotron electromagnetic waves in tokamak plasma; Interaction des ions rapides avec les ondes a la frequence cyclotronique ionique dans un plasma de tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Bergeaud, V

    2000-12-01

    In an ignited fusion reactor, the plasma temperature is sustained by the fusion reactions. However, before this regime is reached, it is necessary to bring an additional power to the plasma. One of the methods that enables the coupling of power is the use of an electromagnetic wave in the ion cyclotron range of frequencies (ICRF). This thesis deals with the interaction between ICRF heating and the fast ions. The thesis contains a theoretical study of the influence of ICRF heating on the ion distribution function. A particular emphasis is put on the importance of the toroidal spectrum of the modes of propagation of the wave in the tokamak. It is necessary to take into account all these modes in order to correctly assess the strength of the wave particle interaction, especially for high energy particles (of the order of hundreds of keV). The classical treatment of the wave particle interaction is based on the hypothesis that the cyclotron phase of the particle and the wave phase are de-correlated between successive resonant interactions. One is therefore led to consider ICRF heating as a diffusive process. This hypothesis is reconsidered in this thesis and it is shown that strong correlations exist in a large part of the velocity space. For this study, a numerical code that computes the full trajectory of particles interacting with a complete electromagnetic field has been developed. The thesis also deals with the problem of fast ion losses due to the breaking of the toroidal symmetry of the confinement magnetic field (called the ripple modulation). Between two toroidal coils, local magnetic wells exist, and particles can be trapped there. When trapped they undergo a vertical drift that makes them quit the plasma rapidly. The ripple modulation also causes an enhancement of the radial diffusion, thereby increasing the losses. A Monte Carlo model describing these mechanisms is presented. This model is validated thanks to a comparison with an experimental database from

  15. Structure, hydrolysis and diffusion of aqueous vanadium ions from Car-Parrinello molecular dynamics

    CERN Document Server

    Jiang, Zhen; Alexandrov, Vitaly

    2016-01-01

    A molecular level understanding of the properties of electroactive vanadium species in aqueous solution is crucial for enhancing the performance of vanadium redox flow batteries (RFB). Here, we employ Car-Parrinello molecular dynamics (CPMD) simulations based on density functional theory to investigate the hydration structures, first hydrolysis reaction and diffusion of aqueous V$^{2+}$, V$^{3+}$, VO$^{2+}$, and VO$_2^+$ ions at 300 K. The results indicate that the first hydration shell of both V$^{2+}$ and V$^{3+}$ contains six water molecules, while VO$^{2+}$ is coordinated to five and VO$_2^+$ to three water ligands. The first acidity constants (p$K_\\mathrm{a}$) estimated using metadynamics simulations are 2.47, 3.06 and 5.38 for aqueous V$^{3+}$, VO$_2^+$ and VO$^{2+}$, respectively, while V$^{2+}$ is predicted to be a fairly weak acid in aqueous solution with a p$K_\\mathrm{a}$ value of 6.22. We also show that the presence of chloride ions in the first coordination sphere of the aqueous VO$_2^+$ ion has a...

  16. Molecular terms, magnetic moments, and optical transitions of molecular ions C60mplus-or-minus

    Science.gov (United States)

    Nikolaev, A. V.; Michel, K. H.

    2002-09-01

    Starting from a multipole expansion of intramolecular Coulomb interactions, we present configuration interaction calculations of the molecular energy terms of the hole configurations (hu)+m, m=2-5, of C60m+ cations, of the electron configurations t1un, n=2-4, of the C60n- anions, and of the exciton configurations (hu+t1u)-, (hu+t1g)- of the neutral C60 molecule. The ground state of C602- is either 3T1g or 1Ag, depending on the energy separation between t1g and t1u levels. There are three close (approx0.03 eV) low lying spin triplets 3T1g, 3Gg, 3T2g for C602+, and three spin quartets 4T1u, 4Gu, 4T2u for C603+, which can be subjected to the Jahn-Teller effect. The number of low lying nearly degenerate states is largest for m=3 holes. We have calculated the magnetic moments of the hole and electron configurations and found that they are independent of molecular orientation with respect to an external magnetic field. The coupling of spin and orbital momenta differs from the atomic case. We analyze the electronic dipolar transitions (t1u)2[right arrow] t1ut1g and (t1u)3 [right arrow](t1u)2t1g for C602- and C603-. Three optical absorption lines (3T1g[right arrow] 3Hu, 3T1u, 3Au) are found for the ground level of C602- and only one line (4Au[right arrow]4T1g) for the ground state of C603-. We compare our results with the experimental data for C60n- in solutions and with earlier theoretical studies.

  17. Real-Time linux dynamic clamp: a fast and flexible way to construct virtual ion channels in living cells.

    Science.gov (United States)

    Dorval, A D; Christini, D J; White, J A

    2001-10-01

    We describe a system for real-time control of biological and other experiments. This device, based around the Real-Time Linux operating system, was tested specifically in the context of dynamic clamping, a demanding real-time task in which a computational system mimics the effects of nonlinear membrane conductances in living cells. The system is fast enough to represent dozens of nonlinear conductances in real time at clock rates well above 10 kHz. Conductances can be represented in deterministic form, or more accurately as discrete collections of stochastically gating ion channels. Tests were performed using a variety of complex models of nonlinear membrane mechanisms in excitable cells, including simulations of spatially extended excitable structures, and multiple interacting cells. Only in extreme cases does the computational load interfere with high-speed "hard" real-time processing (i.e., real-time processing that never falters). Freely available on the worldwide web, this experimental control system combines good performance. immense flexibility, low cost, and reasonable ease of use. It is easily adapted to any task involving real-time control, and excels in particular for applications requiring complex control algorithms that must operate at speeds over 1 kHz.

  18. Fast Preparation of Porous MnO/C Microspheres as Anode Materials for Lithium-Ion Batteries

    Science.gov (United States)

    Su, Jing; Liang, Hao; Gong, Xian-Nian; Lv, Xiao-Yan; Long, Yun-Fei; Wen, Yan-Xuan

    2017-01-01

    Porous MnO/C microspheres have been successfully fabricated by a fast co-precipitation method in a T-shaped microchannel reactor. The structures, compositions, and electrochemical performances of the obtained MnO/C microspheres are characterized by X-ray diffraction, field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (HRTEM), Brunauer–Emmett–Teller analysis, charge-discharge testing, cyclic voltammograms, and electrochemical impedance spectra. Experimental results reveal that the as-prepared MnO/C, with a specific surface area of 96.66 m2·g−1 and average pore size of 24.37 nm, exhibits excellent electrochemical performance, with a discharge capacity of 655.4 mAh·g−1 after cycling 50 times at 1 C and capacities of 808.3, 743.7, 642.6, 450.1, and 803.1 mAh·g−1 at 0.2, 0.5, 1, 2, and 0.2 C, respectively. Moreover, the controlled method of using a microchannel reactor, which can produce larger specific surface area porous MnO/C with improved cycling performance by shortening lithium-ion diffusion distances, can be easily applied in real production on a large scale. PMID:28587120

  19. Fast-ion conducting glass and glass-ceramics for the pH sensor Ionic conductivity

    CERN Document Server

    Niyompan, A

    2002-01-01

    Fast-ion conducting glasses of the compositions Na sub 1 sub + sub x M sub 2 sub - sub x sub / sub 3 Si sub x P sub 3 sub - sub x O sub 1 sub 2 sub - sub 2 sub x sub / sub 3 (0<= x <=3), where M = Zr, Ti, were studied to determine their structural arrangement, physical properties and ionic conductivity. Glass samples were prepared using the conventional melt-quench method in the melting temperature range, 1550 deg C to 1650 deg C. Glass products were characterised by XRD, DTA, dilatometry and density measurement. Solid state MAS NMR experiments of three accessible nuclei, sup 2 sup 3 Na, sup 2 sup 9 Si and sup 3 sup 1 P were used to determine short-range order arrangement in the glasses. XRD confirms the amorphicity of glasses for the compositions of x in range 0-3. Glass transition temperatures, T sub g , TEC, and molar volume are controlled by glass composition. The MAS NMR results suggest that glass structure could be visualised as the silicate network modified by Na sup + and Zr sup 4 sup + or Ti su...

  20. High-resolution X-ray study of the multiple ionization of Pd atoms by fast oxygen ions

    Energy Technology Data Exchange (ETDEWEB)

    Czarnota, M.; Banas, D.; Pajek, M. [Jan Kochanowski Univ., Institute of Physics, Kielce (Poland); Berset, M.; Dousse, J.C.; Hoszowska, J.; Maillard, Y.P.; Mauron, O.; Raboud, P.A. [Fribourg Univ., Dept. of Physics (Switzerland); Chmielewska, D.; Rzadkiewicz, J.; Sujkowski, Z. [Soltan Institute for Nuclear Studies, Otwock-Swierk (Poland); Polasik, M.; Slabkowska, K. [Nicholas Copernicus Univ., Faculty of Chemistry, Torun (Poland)

    2010-04-15

    The multiple ionization of the L- and M-shells of Pd by fast oxygen ions has been studied by measuring with high-resolution the satellite structures of the Lalpha{sub 1,2} X-ray transitions. Relativistic multi-configuration Dirac-Fock (MCDF) calculations were used to interpret the complex X-ray spectrum, allowing to derive the number of L- and M-shell spectator vacancies at the moment of the X-ray emission. After correcting these numbers for the atomic vacancy rearrangement processes that take place prior to the X-ray emission, the ionization probabilities corresponding to the collision time were obtained. The latter were compared to predictions of the semiclassical approximation (SCA) and the geometrical model. The SCA calculations were performed using relativistic hydrogenic and self-consistent Dirac-Hartree-Fock (DHF) electronic wave functions. It was found that the use of the more realistic DHF wave functions in the SCA calculations leads to a much better description of the measured ionization probabilities for both the L- and M-shells. (authors)