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Sample records for charge transfer collisions

  1. Ion momentum and energy transfer rates for charge exchange collisions

    NASA Technical Reports Server (NTRS)

    Horwitz, J.; Banks, P. M.

    1973-01-01

    The rates of momentum and energy transfer have been obtained for charge exchange collisions between ion and neutral gases having arbitrary Maxwellian temperatures and bulk transport velocities. The results are directly applicable to the F-region of the ionosphere where 0+ - 0 charge is the dominant mechanism affecting ion momentum and energy transfer.

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

    PubMed

    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.

  3. Charge transfer during individual collisions in ice growing by riming

    NASA Technical Reports Server (NTRS)

    Avila, Eldo E.; Caranti, Giorgio M.

    1991-01-01

    The charging of a target by riming in the wind was studied in the temperature range of (-10, -18 C). For each temperature, charge transfers of both signs are observed and, according to the environmental conditions, one of them prevails. The charge is more positive as the liquid water concentration is increased at any particular temperature. It is found that even at the low impact velocities used (5 m/s) there is abundant evidence of fragmentation following the collision.

  4. Radiative charge transfer in collisions of C with He+

    NASA Astrophysics Data System (ADS)

    Babb, James F.; McLaughlin, B. M.

    2017-02-01

    Radiative charge exchange collisions between a carbon atom {{C}}({}3P) and a helium ion {{He}}+({}2S), both in their ground state, are investigated theoretically. Detailed quantum chemistry calculations are carried out to obtain potential energy curves and transition dipole matrix elements for doublet and quartet molecular states of the HeC+ cation. Radiative charge transfer cross sections and rate coefficients are calculated and are found at thermal and lower energies to be large compared to those for direct charge transfer. The present results might be applicable to modelling the complex interplay of [{{C}} {{II}}] (or {{{C}}}+), {{C}}, and {CO} at the boundaries of interstellar photon dominated regions and in x-ray dominated regions, where the abundance of {{He}}+ affects the abundance of {CO}.

  5. Radiative charge transfer and radiative association in He++ Ne collisions

    NASA Astrophysics Data System (ADS)

    Liu, X. J.; Qu, Y. Z.; Xiao, B. J.; Liu, C. H.; Zhou, Y.; Wang, J. G.; Buenker, R. J.

    2010-02-01

    A fully quantum-mechanical approach is utilized to study the collision process of He+ with neutral neon, and the radiative charge transfer (RCT) and radiative association (RA) cross sections are presented in the energy range from 0.08 meV to 1 eV, while the optical potential and semiclassical methods are adopted to calculate the total radiative decay cross sections for energies from 0.08 meV to 5 keV. The potential energy curves and dipole transition matrix elements are obtained by an ab initio multireference configuration interaction package. For the related three lowest X 2Σ+, A 2Π, and B 2Σ+ states, the spectroscopic data are in good agreement with other theoretical calculations and experimental measurements. Our results indicate that the RCT cross section is much larger than the nonradiative charge transfer cross section for collision energy E < 20 eV, and when E > 40 eV, the nonradiative process becomes dominant. Especially, we found that in the present collision system the RA process is more important than the RCT process when E < 1 meV. The RCT and RA rate coefficients are also given for temperatures from 1 to 4 ×103 K.

  6. Hydrogen Ion-Molecule Isotopomer Collisions: Charge Transfer and Rearrangement

    NASA Astrophysics Data System (ADS)

    Wang, J. G.; Stancil, P. C.

    A survey of existing data for collisions of isotopes of hydrogen atoms, ions, and molecules is presented. The survey was limited to atom - diatom ionic collisions and to energies generally less than about 10 keV/u. The processes include particle-rearrangement and charge transfer, including both dissociative and non-dissociative channels, with an emphasis on state-to-state (or state-selected) data, where available. Since the last survey (Linder, Janev and Botero 1995), a small number of investigations for deuterium and tritium ion-diatom systems have been performed, with some involving state-resolved data, which include the initial-state-resolved and state-to-state processes. While some progress has been made since the last survey, the database involving hydrogen isotope collisional processes, both total and state- resolved, is far from complete.

  7. Radiative charge transfer and association in slow Li- + H collisions

    NASA Astrophysics Data System (ADS)

    Lin, Xiaohe; Peng, Yigeng; Wu, Yong; Wang, Jianguo; Janev, Ratko; Shao, Bin

    2017-02-01

    Aims: The radiative charge transfer and association processes in Li- + H collisions are studied in the 10-10-10 eV center-of-mass energy range. Methods: we carried out total and ν-resolved state-selective cross sections have been carried out by using the fully quantum, optical potential, and semiclassical methods. Results: In the energy region below 0.8 eV, the radiative association process is the dominant decay channel, while radiative charge transfer dominates at higher energies. Rich resonance structures are observed in the cross sections of both processes in the 0.1-1.5 eV energy range; These structures are associated with the quasi-bound states below the top of the centrifugal barrier of the effective potential in the entrance channel for specific vibrational and angular momentum states. It is found that with the increase of collision energy, the resonances occur for higher angular momentum states and lower vibrational states. Besides the cross sections for the studied processes we also present their reaction rate coefficients in the 10-6-106K temperature range.

  8. Charge transfer in proton-hydrogen collisions under Debye plasma

    SciTech Connect

    Bhattacharya, Arka; Kamali, M. Z. M.; Ghoshal, Arijit; Ratnavelu, K.

    2015-02-15

    The effect of plasma environment on the 1s → nlm charge transfer, for arbitrary n, l, and m, in proton-hydrogen collisions has been investigated within the framework of a distorted wave approximation. The effect of external plasma has been incorporated using Debye screening model of the interacting charge particles. Making use of a simple variationally determined hydrogenic wave function, it has been possible to obtain the scattering amplitude in closed form. A detailed study has been made to investigate the effect of external plasma environment on the differential and total cross sections for electron capture into different angular momentum states for the incident energy in the range of 20–1000 keV. For the unscreened case, our results are in close agreement with some of the most accurate results available in the literature.

  9. Charge transfer reactions in multiply charged ion-atom collisions. [in interstellar clouds

    NASA Technical Reports Server (NTRS)

    Steigman, G.

    1975-01-01

    Charge-transfer reactions in collisions between highly charged ions and neutral atoms of hydrogen and/or helium may be rapid at thermal energies. If these reactions are rapid, they will suppress highly charged ions in H I regions and guarantee that the observed absorption features from such ions cannot originate in the interstellar gas. A discussion of such charge-transfer reactions is presented and compared with the available experimental data. The possible implications of these reactions for observations of the interstellar medium, H II regions, and planetary nebulae are outlined.

  10. Self-interaction effects on charge-transfer collisions

    DOE PAGES

    Quashie, Edwin E.; Saha, Bidhan C.; Andrade, Xavier; ...

    2017-04-27

    In this article, we investigate the role of the self-interaction error in the simulation of collisions using time-dependent density functional theory (TDDFT) and Ehrenfest dynamics. In addition, we compare many different approximations of the exchange and correlation potential, using as a test system the collision of H+ + CH4 at 30 eV. We find that semilocal approximations, like the Perdew-Burke- Ernzerhof (PBE), and even hybrid functionals, such as the Becke, 3-parameter, Lee-Yang-Parr (B3LYP), produce qualitatively incorrect predictions for the scattering of the proton. This discrepancy appears because the self-interaction error allows the electrons to jump too easily to the proton,more » leading to radically different forces with respect to the non-self-interacting case. Lastly, from our results, we conclude that using a functional that is self-interaction free is essential to properly describing charge-transfer collisions between ions and molecules in TDDFT.« less

  11. Laser assisted charge transfer in the realm of cold collisions

    NASA Astrophysics Data System (ADS)

    Petrov, Alexander; Makrides, Constantinos; Kotochigova, Svetlana

    2015-05-01

    We study two colliding particles, Ca and Yb+, which can undergo non-radiative charge-exchange transitions from the scattering continuum in the excited A2Σ+ state to the continuum of the ground X2Σ+ state. This reaction can be controlled by linearly-polarized laser radiation of frequency ω, which is in the range of quasi-molecular electronic energy separation. Using the dressed-state picture or the Floquet Ansatz we construct coupled time-independent Schrödinger equations for the interatomic separation R. The mechanism of electromagnetic field control is based on an interplay between intra-molecular couplings and molecule-field interactions. We show that laser field affects the chemical reaction through reversible modification of an effective Hamiltonian via either non-resonant temporal Stark shifts or resonant ``dipolar'' interactions, leading to both transient- and cw-light-induced non-adiabatic charge transfer. We investigate these processes for various collision energies as well as over a wide range of laser intensities and frequencies. Research at Temple University is supported by MURI-ARO (W911NF-14-1-0378) and NSF (No. PHY-1308573) grants.

  12. Charge transfer in collisions of C{sup 2+} carbon ions with CO and OH targets

    SciTech Connect

    Bene, E.; Martinez, P.; Halsaz, G. J.; Vibok, A.; Bacchus-Montabonel, M. C.

    2009-07-15

    The charge transfer in collisions of C{sup 2+} ions with the CO molecule and the OH radical has been studied theoretically by means of ab initio quantum chemistry molecular methods followed by a semiclassical dynamical treatment in the keV collision energy range. The comparison of the cross sections calculated for these two collision systems exhibits interesting features with regard to the anisotropy of these processes and the influence of the vibration of the molecular target.

  13. Charge transfer and momentum exchange in exospheric D-H(+) and H-D(+) collisions

    NASA Technical Reports Server (NTRS)

    Hodges, R. R., Jr.; Breig, E. L.

    1993-01-01

    Mechanisms that control the escape of deuterium from planetary exospheres include the acceleration of D(+) in the polar wind, and the production of suprathermal D atoms through nonthermal collisions. In this paper we examine the effects of neutral-ion interactions involving deuterium and hydrogen on the velocity distribution of neutral D. A two-center scattering approximation is used as the basis for calculations of the differential cross sections for charge transfer and elastic scatter in collision of H with D(+) and of D with H(+) for ionosphere-exosphere collision energies below 10 e V. These data are used to derive temperature dependent rate coefficients for the charge transfer branches of these interactions, and to determine the effects of ion-neutral temperature differences on the rate of generation of suprathermal D through charge transfer and elastic scatter.

  14. Charge transfer during alkali-surface adsorbate collisions

    NASA Astrophysics Data System (ADS)

    Yang, Ye

    The study of charge transfer process between atomic particles and surface adsorbates is important, from both fundamental and practical points of view. Resonant charge transfer (RCT) process during the scattering of low-energy alkali ions from surfaces is proven to depend on the surface local electrostatic potential (LEP). This dissertation investigates the surface electronic environment around halogen and hydrogen adatoms on transition metal and silicon surfaces by using alkali ion scattering. Charge transfer in 7Li+ scattering from clean Si surfaces was shown to involve RCT between the Li 2s level and the Si dangling bonds. Hydrogen adsorption decreases the neutralization because it ties up the dangling bonds. The neutral fractions in 7Li + scattering from Cs/Si are also determined primarily by the dangling bond states, so that the surface LEP cannot be directly probed. Hydrogen adsorption on Cs/Si ties up the dangling bonds, thereby revealing the local potentials. The neutralization probabilities of Li+ backscattered from the hydrogen- and iodine-covered Ni(100) surface were measured. The neutral fraction does not change significantly on H-adsorbed surface. For iodine adsorption, however, unexpected high neutralization probabilities were found for Li scattered directly from iodine sites. Similar behavior were observed for Li+ scattering from I- and Br-covered Fe(100) and Fe(110). The neutralization of Li+ was measured as a function of the incident energy, adatom charge and coverage, and exit angle. It was found that the larger neutral fractions of Li scattered from the halogen sites are caused by a lower potential directly above the adatoms due to internal polarization. As the exit beam moves off-normal, the neutral fraction of Li scattered from iodine decreases. This is in contrast to Cs and Ag adsorbates where the neutral fractions increase for glancing exit trajectories. These angular-dependences are verified by a semi-quantitative theoretical analysis. To

  15. Isotope effect in charge-transfer collisions of H with He{sup +}

    SciTech Connect

    Loreau, J.; Dalgarno, A.; Ryabchenko, S.

    2011-11-15

    We present a theoretical study of the isotope effect arising from the replacement of H by T in the charge-transfer collision H(n=2) + He{sup +}(1s) at low energy. Using a quasimolecular approach and a time-dependent wave-packet method, we compute the cross sections for the reaction including the effects of the nonadiabatic radial and rotational couplings. For H(2s) + He{sup +}(1s) collisions, we find a strong isotope effect at energies below 1 eV/amu for both singlet and triplet states. We find a much smaller isotopic dependence of the cross section for H(2p) + He{sup +}(1s) collisions in triplet states, and no isotope effect in singlet states. We explain the isotope effect on the basis of the potential energy curves and the nonadiabatic couplings, and we evaluate the importance of the isotope effect on the charge-transfer rate coefficients.

  16. Theoretical study of charge transfer dynamics in collisions of C6+ carbon ions with pyrimidine nucleobases

    NASA Astrophysics Data System (ADS)

    Bacchus-Montabonel, M. C.

    2012-07-01

    A theoretical approach of the charge transfer dynamics induced by collision of C6+ ions with biological targets has been performed in a wide collision energy range by means of ab-initio quantum chemistry molecular methods. The process has been investigated for the target series thymine, uracil and 5-halouracil corresponding to similar molecules with different substituent on carbon C5. Such a study may be related to hadrontherapy treatments by C6+carbon ions and may provide, in particular, information on the radio-sensitivity of the different bases with regard to ion-induced radiation damage. The results have been compared to a previous analysis concerning the collision of C4+ carbon ions with the same biomolecular targets and significant charge effects have been pointed out.

  17. Ab initio study of charge transfer in low energy collisions of B4+ with H

    NASA Astrophysics Data System (ADS)

    Liu, Chun-Hua; Wang, Jian-Guo

    2017-06-01

    The charge transfer processes in collisions of B4+(1 s) ions with H(1 s) atoms are investigated by using the quantum-mechanical molecular orbital close-coupling method with electron translational effects included in the impact energy region of 10-5 - 20 keV/u. Molecular data with high accuracy are calculated using ab initio method. Our calculations clarified the controversy in the total and state-selective cross sections at low energies. The treatment of the core electron will influence the accuracy of the calculated molecular structure and then sensitively influence the charge transfer cross sections in the low energy region. The rotational couplings play an important role in the state-selective cross sections at energies above 50 eV/u, but weakly influence the total cross sections for this collision system.

  18. Charge transfer and excitation in H++CH3 collisions below 10keV

    NASA Astrophysics Data System (ADS)

    Nagao, Masatoshi; Hida, Ken-Nosuke; Kimura, Mineo; Rai, Sachchida N.; Liebermann, Heinz-Peter; Buenker, Robert J.; Suno, Hiroya; Stancil, Phillip C.

    2008-07-01

    Charge transfer and electronic excitation in collisions of H+ ions with CH3 from a few tens of eV up to 10keV are theoretically investigated. The adiabatic potential energy curves and corresponding wave functions are calculated by using the multireference single- and double-excitation configuration interaction method, and the scattering dynamics is studied based on the semiclassical impact parameter molecular-orbital close-coupling approach. Charge-transfer cross sections are found to be large and rather energy-dependent over the entire energy region studied. Electronic excitation is also energy-dependent with a sharp increase from below 10-17to10-16cm2 . Most of the molecular products produced through charge transfer or excitation are known to be unstable and undergo fragmentation producing various hydrocarbon radical species. Hence, identification of fragmented species and their production mechanism are important for spectroscopic analysis.

  19. Oscillatory behavior of charge transfer cross sections as a function of the charge of projectiles in low-energy collisions

    NASA Astrophysics Data System (ADS)

    Ryufuku, Hiroshi; Sasaki, Ken; Watanabe, Tsutomu

    1980-03-01

    To examine experimental cross sections for charge transfer in collisions of partially stripped heavy ions with atomic hydrogen at low collision energies, unitarized-distorted-wave-approximation calculations are performed using a model in which the projectiles are replaced by bare nuclei of a given effective charge. The results show the presence of a strong oscillatory dependence of the cross sections on effective charge due to the crossings of diabatic potential curves in the low-energy region below 10 keV/amu. The considerable differences in the measured cross sections for impacts of ions of different elements (B, C, N, and O) observed by Bayfield et al. and Crandall et al. at low impact energies are attributed to this oscillatory behavior.

  20. Radiative charge transfer and radiative association in He{sup +}+ Ne collisions

    SciTech Connect

    Liu, X. J.; Xiao, B. J.; Qu, Y. Z.; Zhou, Y.; Liu, C. H.; Wang, J. G.; Buenker, R. J.

    2010-02-15

    A fully quantum-mechanical approach is utilized to study the collision process of He{sup +} with neutral neon, and the radiative charge transfer (RCT) and radiative association (RA) cross sections are presented in the energy range from 0.08 meV to 1 eV, while the optical potential and semiclassical methods are adopted to calculate the total radiative decay cross sections for energies from 0.08 meV to 5 keV. The potential energy curves and dipole transition matrix elements are obtained by an ab initio multireference configuration interaction package. For the related three lowest X {sup 2{Sigma}+}, A {sup 2{Pi}}, and B {sup 2{Sigma}+} states, the spectroscopic data are in good agreement with other theoretical calculations and experimental measurements. Our results indicate that the RCT cross section is much larger than the nonradiative charge transfer cross section for collision energy E < 20 eV, and when E > 40 eV, the nonradiative process becomes dominant. Especially, we found that in the present collision system the RA process is more important than the RCT process when E < 1 meV. The RCT and RA rate coefficients are also given for temperatures from 1 to 4 x10{sup 3} K.

  1. Time-dependent quantum wave packet dynamics to study charge transfer in heavy particle collisions

    NASA Astrophysics Data System (ADS)

    Zhang, Song Bin; Wu, Yong; Wang, Jian Guo

    2016-12-01

    The method of time-dependent quantum wave packet dynamics has been successfully extended to study the charge transfer/exchange process in low energy two-body heavy particle collisions. The collision process is described by coupled-channel equations with diabatic potentials and (radial and rotational) couplings. The time-dependent coupled equations are propagated with the multiconfiguration time-dependent Hartree method and the modulo squares of S-matrix is extracted from the wave packet by the flux operator with complex absorbing potential (FCAP) method. The calculations of the charge transfer process 12Σ+ H-(1s2) +Li(1 s22 s ) →22Σ+ /32 Σ+ /12 Π H(1 s ) +Li-(1s 22 s 2 l ) (l =s ,p ) at the incident energy of about [0.3, 1.3] eV are illustrated as an example. It shows that the calculated reaction probabilities by the present FCAP reproduce that of quantum-mechanical molecular-orbital close-coupling very well, including the peak structures contributed by the resonances. Since time-dependent external interactions can be directly included in the present FCAP calculations, the successful implementation of FCAP provides us a powerful potential tool to study the quantum control of heavy particle collisions by lasers in the near future.

  2. Luminescence measurements of Xe+ + N2 and Xe2+ + N2 hyperthermal charge transfer collisions

    NASA Astrophysics Data System (ADS)

    Prince, Benjamin D.; Chiu, Yu-Hui

    2011-09-01

    Luminescence spectra are recorded for collisions between Xe+/Xe2+ and molecular nitrogen at energies ranging from 4.5 to 316 eV in the center-of-mass frame. In the Xe+ + N2 collision system, evidence for luminescent charge-transfer products is only found through Xe I emission lines. The most intense features of the luminescence spectra are attributed to atomic N emissions observed above ˜20 eV. Intense N2+ A 2Πu - X2Σ_g+ and B2Σ_u+ - X2Σ_g+ radiance is observed from Xe2+ + N2 collisions. The B state formation cross section decreases with collision energy until 20 eV, after which it becomes independent of impact energy with an approximate value of 3 Å2. The cross section for N2+ A (v > 0) formation increases with energy until 20 eV, after which it remains nearly constant at ˜1 Å2. The N2+ product vibrational distributions extracted from the spectra are non-Franck-Condon for both electronic product states at low collision energies. The distributions resemble a Franck-Condon distribution at the highest energies investigated in this work.

  3. Resonant charge transfer in slow Li+-Li(2s) collisions

    NASA Astrophysics Data System (ADS)

    Li, Tie-Cheng; Liu, Chun-Hua; Qu, Yi-Zhi; Liu, Ling; Wu, Yong; Wang, Jian-Guo; P. Liebermann, H.; J. Buenker, R.

    2015-10-01

    The resonant charge transfer process for Li+-Li(2s) collision is investigated by the quantum-mechanical molecular orbital close-coupling (QMOCC) method and the two-center atomic-orbital close-coupling (AOCC) method in an energy range of 1.0 eV/u-104 eV/u. Accurate molecular structure data and charge transfer cross sections are given. Both the all-electron model (AEM) and one-electron model (OEM) are used in the QMOCC calculations, and the discrepancies between the two models are analyzed. The OEM calculation can also give a reliable prediction of the cross sections for energies below 1 keV/u. Project supported by the National Natural Science Foundation of China (Grant Nos. 11179041, 11474032, and 11474033) and the NSAF (Grant No. U1330117).

  4. The Dynamics of Resonant Charge Transfer in Hyperthermal Energy Ion-Surface Collisions

    NASA Astrophysics Data System (ADS)

    Behringer, Ernest Robert

    I have studied the dynamics of resonant charge transfer in hyperthermal energy collisions of positively charged alkali ions with clean and alkali-covered Cu(001) surfaces. Li^+ ions incident on these surfaces may scatter into a variety of directions with different energies and in different charge states. To characterize the scattering from these surfaces, I have measured the in-plane energy and angular distributions of Li^+ scattered from the clean Cu(001) surface for incident energies of 400 and 100 eV and have reproduced these distributions with classical trajectory simulations which make use of a model ion-surface potential constructed from a sum of Hartree-Fock pair potentials and a long-ranged attractive potential. It is found that the scattering of lithium is more complex than for the other alkalis due to its small size, and that inelastic losses are appreciable for this system at the incident energies studies. The measurements of the scattering distractions provide useful information for the analysis of the charge transfer experiments. I have studied the dynamics of charge transfer by measuring the work function dependence of the absolute yields of different charge states and of the relative yields of excited states in the scattered flux that results when hyperthermal energy Li^+ ions impinge on clean and alkali-covered Cu(001). The data are compared to the predictions of a many-body charge transfer theory and it is found that all of the qualitative trends in the data are reproduced. Examination of the theoretical predictions shows that the dynamics of the charge transfer are complex and depend on the energies and lifetimes of all of the atomic states, even if these states are not found in the scattered flux. The theory also indicates that the dynamics depends on the relationship between the time scales set by the atomic state lifetimes and the velocity of the scattered particle, and predicts that most of the charge transferred from the mental to the atom is

  5. Ionosphere-exosphere coupling through charge exchange and momentum transfer in hydrogen-proton collisions

    NASA Technical Reports Server (NTRS)

    Hodges, R. R., Jr.; Breig, E. L.

    1991-01-01

    The implications of a traditional assumption of exospheric physics, that collisions of hydrogen atoms and protons preferentially result in charge exchange with negligible momentum transfer are examined. Initially adopted as a necessary convenience to accommodate limited computer resources in exosphere model calculations, this approximation results in a direct transformation of the proton velocity distribution into a hot component of neutral hydrogen. With expanding computational facilities, the need for the approximation has passed. As the first step toward its replacement with a realistic, quantum mechanical model of the H - H(+) collision process, differential and cumulative cross sections were calculated for quantum elastic scattering of indistinguishable nuclei for a fine grid of encounter energies and scattering angles. These data are used to study the nature of ionosphere-exosphere coupling through H - H(+) collisions, and to demonstrate that the distribution of velocities of scattered H produced in the traditional exospheric charge exchange approximation, as well as that arising from an alternative, fluid dynamic approach, leads to unacceptable abundances of coronal atoms in long-term, highly elliptic trajectories.

  6. Ionosphere-exosphere coupling through charge exchange and momentum transfer in hydrogen-proton collisions

    NASA Technical Reports Server (NTRS)

    Hodges, R. R., Jr.; Breig, E. L.

    1991-01-01

    The implications of a traditional assumption of exospheric physics, that collisions of hydrogen atoms and protons preferentially result in charge exchange with negligible momentum transfer are examined. Initially adopted as a necessary convenience to accommodate limited computer resources in exosphere model calculations, this approximation results in a direct transformation of the proton velocity distribution into a hot component of neutral hydrogen. With expanding computational facilities, the need for the approximation has passed. As the first step toward its replacement with a realistic, quantum mechanical model of the H - H(+) collision process, differential and cumulative cross sections were calculated for quantum elastic scattering of indistinguishable nuclei for a fine grid of encounter energies and scattering angles. These data are used to study the nature of ionosphere-exosphere coupling through H - H(+) collisions, and to demonstrate that the distribution of velocities of scattered H produced in the traditional exospheric charge exchange approximation, as well as that arising from an alternative, fluid dynamic approach, leads to unacceptable abundances of coronal atoms in long-term, highly elliptic trajectories.

  7. Charge Transfer in Collisions between Bare Ions and Hydrogenic Carbon Ions

    NASA Astrophysics Data System (ADS)

    Winter, T. G.

    1997-04-01

    Cross sections have been calculated for electron transfer, as well as ionization, in collisions between 125-1000 keV/amu protons, α particles, Li^2+ ions, etc. and C^5+(1s) ions. The dependence of cross sections on projectile charge has been determined and compared with results of first-order perturbation theory. This study parallels an earlier one in which the target nuclear charge was instead varied.(T. G. Winter, Phys. Rev. A 35), 3799 (1987). A coupled-Sturmian-pseudostate approach is again taken, yielding capture cross sections accurate to at least a few per cent. In the case of α-particle projectiles, the results are important for understanding α losses to the walls of the TFTR, (H. Herrmann (private communication, 1996).) and are much larger than existing published results.(M. Lal, M. K. Srivastava, and A. N. Tripathi, Phys. Rev. A 26), 305 (1982).

  8. Charge transfer in collisions of Be3+ ions with H atoms

    NASA Astrophysics Data System (ADS)

    Liu, C. H.; Wang, J. G.

    2013-04-01

    The nonradiative charge-transfer processes for the Be3+(1s)+H(1s) collisions are investigated by the quantum-mechanical molecular orbital close-coupling method in the energy range of 0.01-10 keV/u. The radiative charge-transfer cross sections are calculated by the optical potential and semiclassical methods in the energy range 10-6-103 eV/u. The needed molecular data are obtained by the ab initio multireference single- and double-excitation configuration interaction method. Total and state-selective cross sections are presented and compared with other available theoretical data. Our calculation agrees well with the atomic orbital close-coupling results of Liu [L. Liu, D. Jakimovski, J. G. Wang, and R. K. Janev, J. Phys. BJPAPEH0953-407510.1088/0953-4075/43/14/144005 43, 144005 (2010)], but there exist some discrepancies with the semiclassical molecular orbital close-coupling results of Shimakura [N. Shimakura, J. Phys. BJPAMA40953-407510.1088/0953-4075/21/13/015 21, 2485 (1988)]. The present results show that the capture to Si2+(1s3l) states is dominant in the whole energy range with the exception of a narrow range of 2-4 keV/u. Rotational couplings play an important role not only in the state-selective cross sections, but also in the total charge-transfer results. At energies below 40 eV/u, the radiative charge transfer exceeds the nonradiative process.

  9. Enormous Isotope Effects on Charge Transfer in Slow Collisions of He2+ with H, D, and T

    NASA Astrophysics Data System (ADS)

    Stolterfoht, N.; Cabrera-Trujillo, R.; Öhrn, Y.; Deumens, E.; Hoekstra, R.; Sabin, J. R.

    2007-12-01

    Probabilities and cross sections for charge transfer by He2+ impact on atomic hydrogen (H), deuterium (D), and tritium (T) at low collision energies are calculated using the END approach. Differences by orders of magnitude are observed between the cross sections for H, D, and T. A method is introduced to separate the contributions of charge transfer mechanisms due to radial and rotational coupling. The large differences observed for H, D, and T are attributed to isotope effects in the rotational coupling mechanism.

  10. Vibrationally resolved charge transfer for proton collisions with CO and H collisions with CO{sup +}

    SciTech Connect

    Lin, C. Y.; Stancil, P. C.; Li, Y.; Gu, J. P.; Liebermann, H. P.; Buenker, R. J.; Kimura, M.

    2007-07-15

    Electron capture by protons following collisions with carbon monoxide, and the reverse process, is studied with a quantal molecular-orbital coupled-channel method utilizing the infinite order sudden approximation for collision energies between 0.5 and 1000 eV/u. The potential surfaces and couplings, computed with the multireference single- and double-excitation method for a range of H{sup +}-CO orientation angles and C-O separations, are adopted in the scattering calculations. Results including vibrationally resolved and orientation-angle-dependent cross sections are presented for a range of CO and CO{sup +} vibrational levels. Comparison with experiment is made where possible and the relevance of the reaction in astrophysics and atmospheric physics is discussed.

  11. Collisions of fast multicharged ions in gas targets: Charge transfer and ionization

    NASA Astrophysics Data System (ADS)

    Schlachter, A. S.

    1981-05-01

    Measurements of cross sections for charge transfer and ionization of H2 and rare-gas targets were made with fast, highly stripped projectiles in charge states as high as 59+. An empirical scaling rule for electron-capture cross section in H2 valid at energies above 275 keV/amu was found. Similar scaling might exist for other target gases. Cross sections are generally in good agreement with theory. A scaling rule was found for electron loss from H in collisions with a fast highly stripped projectile, based on Olson's classical-trajectory Monte-Carlo calculations, and confirmed by measurements in an H2 target. A similar scaling rule was for net ionization of rare-gas targets, based on Olson's CTMC calculations and the independent-electron model. Measurements are essentially consistent with the scaled cross sections. Calculations and measurements of recoil-ion charge-state spectra show large cross sections for the production of highly charged slow recoil ions.

  12. State selective Rydberg charge transfer and ionization in low energy ion-atom collisions

    NASA Astrophysics Data System (ADS)

    Perumal, A. N.; Tripathi, D. N.

    1998-10-01

    The Classical Trajectory Monte Carlo (CTMC) simulation method with a core modified interaction potential has been used to study the single charge transfer in Na +and Ar + ions colliding with a variety of state selected Na Rydberg atom targets ( n=24, 28, 33, 40 and l=2) in the reduced velocity region v=0.2-2.0. The experimentally observed structures in the total capture cross section versus reduced velocity curves are reproduced by CTMC method. The n-distribution of final capture state has got two peaks viz. first one at nf= ni and the second one at a higher nf depending on the initial angular momentum in the velocity regime 0.4-0.6. These structures have been explained in terms of quasimolecular-ion formation and a classical model proposed by Roy et al. (B.N. Roy, D.N. Tripathi, D.K. Rai, Phys. Rev. A 5 (1972) 1252). The CTMC ionization cross section results are benchmarked with the recent experimental measurement of Makarov et al. (O.P. Makarov, D.M. Homan, O.P. Sorokina, K.B. MacAdam, in: F. Aumayr, G. Betz, H.P. Winter (Eds.), Proceedings of the 20th International Conference on the Physics of Electronics and Atomic Collisions, Vienna, 1997, p. FR052) for Na +-Na(24 d).

  13. Symmetric resonant charge transfer in H/sup +/+H and He/sup 2+/+He collisions at extremely low energies

    SciTech Connect

    Kimura, M.; Lane, N.F.

    1986-11-01

    Symmetric resonant charge transfer (RCT) in H/sup +/+H and He/sup 2+/+He collisions has been investigated in the ultralow-collision-energy range 10/sup -3/--10/sup -7/ eV. The RCT cross section has been computed by partial-wave expansion in the molecular-orbital expansion method within the fully quantum-mechanical formalism. The calculated RCT cross sections become constant below Eapprox. =10/sup -6/ eV, corresponding to a scattering length of --6a/sub 0/ and --2a/sub 0/ for H/sub 2/ /sup +/ and He/sub 2/ /sup 2+/, respectively.

  14. Charge transfer and electronic excitation in collisions of protons with water molecules below 10 keV

    SciTech Connect

    Mada, Shogo; Hida, Ken-nosuke; Kimura, Mineo; Pichl, Lukas; Liebermann, Heinz-Peter; Li, Yan; Buenker, Robert J.

    2007-02-15

    Charge transfer and electronic excitation processes for H{sup +}+H{sub 2}O collisions are investigated theoretically below 10 keV. Molecular-orbital close-coupling approach is employed for scattering dynamics, while an ab initio multireference single- and double-configuration interaction method is used for the determination of molecular states. The present results for charge transfer show rather weak energy dependence in the energy range from 10 keV down to a few tens of eV with very slowly varying cross-section value of 4-13x10{sup -16} cm{sup 2}, and are found to be in excellent agreement with experimental measurements by Lindsay et al. [Phys. Rev. A 55, 3945 (1997)] where the energy in the experiment and theory overlaps. The electronic-excitation cross sections are found to be much smaller than those for the charge transfer, but increase rapidly and become comparable to charge transfer at a few keV. Most of the water molecular ions and excited species produced in the collision are unstable and soon undergo dissociation; some insight into the fragmentation process and the fragmented species is given.

  15. Charge transfer and electronic excitation in collisions of protons with water molecules below 10keV

    NASA Astrophysics Data System (ADS)

    Mada, Shogo; Hida, Ken-Nosuke; Kimura, Mineo; Pichl, Lukáš; Liebermann, Heinz-Peter; Li, Yan; Buenker, Robert J.

    2007-02-01

    Charge transfer and electronic excitation processes for H++H2O collisions are investigated theoretically below 10keV . Molecular-orbital close-coupling approach is employed for scattering dynamics, while an ab initio multireference single- and double-configuration interaction method is used for the determination of molecular states. The present results for charge transfer show rather weak energy dependence in the energy range from 10keV down to a few tens of eV with very slowly varying cross-section value of 4-13×10-16cm2 , and are found to be in excellent agreement with experimental measurements by Lindsay [Phys. Rev. A 55, 3945 (1997)] where the energy in the experiment and theory overlaps. The electronic-excitation cross sections are found to be much smaller than those for the charge transfer, but increase rapidly and become comparable to charge transfer at a few keV. Most of the water molecular ions and excited species produced in the collision are unstable and soon undergo dissociation; some insight into the fragmentation process and the fragmented species is given.

  16. Dependence of radiative stabilization on the projectile charge state after double-electron-transfer processes in slow, highly charged ion-molecule collisions

    NASA Astrophysics Data System (ADS)

    Krok, Franciszek; Tolstikhina, Inga Yu.; Sakaue, Hiroyuki A.; Yamada, Ichihiro; Hosaka, Kazumoto; Kimura, Masahiro; Nakamura, Nobuyuki; Ohtani, Shunsuke; Tawara, Hiroyuki

    1997-12-01

    We have measured the radiative stabilization probabilities after double-electron-transfer processes in slow (1.5q keV) Iq++CO collisions in the charge-state regime 8<=q<=26 by using the charge-selected-projectile-recoil-ion-coincidence method. It was found that the radiative stabilization probabilities Prad, defined as Prad=TDC/(TDC+ADC) (TDC is true double capture, and ADC autoionizing double capture), increases from about 1% at the lowest charge up to about 10% at the highest charge as the charge state of the projectile increases. A model is proposed which can explain such a feature, by incorporating a slight modification of the initial population of the transferred levels in the projectile predicted in the extended classical over-barrier model. Based upon the present model, theoretical radiative and autoionization decay rates have been calculated, using the Cowan code. Fairly good agreement between the measured and calculated results has been obtained.

  17. Effects of electron-transfer coupled with collision-induced dissociation (ET/CID) on doubly charged peptides and phosphopeptides.

    PubMed

    Liu, Chih-Wei; Lai, Chien-Chen

    2011-01-01

    Electron-transfer dissociation (ETD) is a useful peptide fragmentation technique that can be applied to investigate post-translational modifications (PTMs), the sequencing of highly hydrophilic peptides, and the identification of large peptides and even intact proteins. In contrast to traditional fragmentation methods, such as collision-induced dissociation (CID), ETD produces c- and z(·)-type product ions by randomly cleaving the N-Cα bonds. The disappointing fragmentation efficiency of ETD for doubly charged peptides and phosphopeptide ions has been improved by ETcaD (supplemental activation). However, the ETD data derived from most database search algorithms yield low confidence scores due to the presence of unreacted precursors and charge-reduced ions within MS/MS spectra. In this work, we demonstrate that eight out of ten standard doubly charged peptides and phosphopeptides can be effortlessly identified by electron-transfer coupled with collision-induced dissociation (ET/CID) using the SEQUEST algorithm without further spectral processing. ET/CID was performed with the further dissociation of the charge-reduced ions isolated from ETD ion/ion reactions. ET/CID had high fragmentation efficiency, which elevated the confidence scores of doubly charged peptide and phosphospeptide sequencing. ET/CID was found to be an effective fragmentation strategy in "bottom-up" proteomic analysis.

  18. Effects of Electron-Transfer Coupled with Collision-Induced Dissociation (ET/CID) on Doubly Charged Peptides and Phosphopeptides

    NASA Astrophysics Data System (ADS)

    Liu, Chih-Wei; Lai, Chien-Chen

    2011-01-01

    Electron-transfer dissociation (ETD) is a useful peptide fragmentation technique that can be applied to investigate post-translational modifications (PTMs), the sequencing of highly hydrophilic peptides, and the identification of large peptides and even intact proteins. In contrast to traditional fragmentation methods, such as collision-induced dissociation (CID), ETD produces c- and z·-type product ions by randomly cleaving the N-Cα bonds. The disappointing fragmentation efficiency of ETD for doubly charged peptides and phosphopeptide ions has been improved by ETcaD (supplemental activation). However, the ETD data derived from most database search algorithms yield low confidence scores due to the presence of unreacted precursors and charge-reduced ions within MS/MS spectra. In this work, we demonstrate that eight out of ten standard doubly charged peptides and phosphopeptides can be effortlessly identified by electron-transfer coupled with collision-induced dissociation (ET/CID) using the SEQUEST algorithm without further spectral processing. ET/CID was performed with the further dissociation of the charge-reduced ions isolated from ETD ion/ion reactions. ET/CID had high fragmentation efficiency, which elevated the confidence scores of doubly charged peptide and phosphospeptide sequencing. ET/CID was found to be an effective fragmentation strategy in "bottom-up" proteomic analysis.

  19. Momentum transfer theory of ion transport under the influence of resonant charge transfer collisions: the case of argon and neon ions in parent gases

    NASA Astrophysics Data System (ADS)

    Jovanović, J. V.; Vrhovac, S. B.; Petrović, Z. Lj.

    2002-12-01

    Transport properties of ion swarms in presence of Resonant Charge Transfer (RCT) collisions are studied using Momentum Transfer Theory (MTT). It was shown that, not surprisingly, RCT collisions may be represented as a special case of elastic scattering. Using the developed MTT we tested a previously available anisotropic set of cross-sections for Ar+Ar^+ collisions by making the comparisons with the available data for the transverse diffusion coefficient. We also developed an anisotropic set of Ne+Ne^+ integral cross-sections based on the available data for mobility, longitudinal and transverse diffusion. Anisotropic sets of cross-sections are needed for Monte Carlo simulations of ion transport and plasma models.

  20. Strong isotope effects on the charge transfer in slow collisions of He2+ with atomic hydrogen, deuterium, and tritium.

    PubMed

    Stolterfoht, N; Cabrera-Trujillo, R; Ohrn, Y; Deumens, E; Hoekstra, R; Sabin, J R

    2007-09-07

    Probabilities and cross sections for charge transfer by He2+ impact on atomic hydrogen (H), deuterium (D), and tritium (T) at low collision energies are calculated. The results are obtained using an ab initio theory, which solves the time-dependent Schrödinger equation. For the H target, excellent agreement is achieved between the present and previous results. Differences by orders of magnitude are observed between the cross sections for H, D, and T. A method is introduced to separate the contributions of charge-transfer mechanisms due to radial and rotational coupling. The large differences observed for H, D, and T are attributed to isotope effects in the rotational coupling mechanism.

  1. Charge transfer in collisions of H+ with Li (1s22s, 2pz): TD-MADNESS approach

    NASA Astrophysics Data System (ADS)

    Domínguez-Gutiérrez, F. J.; Krstić, P. S.

    2016-10-01

    In this work we carry out a study of the single-electron charge transfer process for H+ collisions with atomic neutral lithium, in its ground and first excited state, at 1-25 keV amu-1. For this, we solve numerically the time dependent Schrödinger equation to the defined accuracy by using a multi-resolution adaptive approach, thus removing the uncertainties connected to a basis size and spatial and temporal numeric mesh size. We approximate the atomic lithium target by a single electron model in a frozen-core pseudo-potential while the projectile follows a straight line trajectory. Within these approximations we report new benchmark data for charge transfer cross sections to n = 2, and 3 states of hydrogen from 1s22s and 1s22pz of Li. Available theoretical and experimental data in the literature are in reasonable agreement with our results.

  2. Luminescence Measurements of Xe+ + N2 and Xe2+ + N2 Hyperthermal Charge Transfer Collisions (Postprint)

    DTIC Science & Technology

    2012-04-10

    Landau - Zener curve-crossing models,18 where CT proba- bilities are maximum at intermediate coupling distances. Lindinger16 studied charge-transfer rate...tran- sition probability approaches a maximum in the high en- ergy limit, unlike the Landau - Zener CT probability which ap- proaches zero. Thus, at the...the cross sections remain constant with energy at high energies is further support for a Rosen- Zener /Demkov over a Landau - Zener curve-crossing

  3. Numerical study of charge transfer processes in collisions of Be^4+ and He^2+ with atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Minami, Tatsuya; Pindzola, Michael S.; Lee, Teck-Gee

    2005-05-01

    We have calculated state-selective charge-transfer cross sections in collisions of Be^(4+ with H(1s) and of He^2+ with H(1s). We have used the lattice time-dependent Schr"odinger equation (LTDSE) approach, the atomic orbital coupled channel (AOCC) method, and the classical trajectory Monte Carlo (CTMC) method. The calculations are performed with impact energy ranging between 1keV/u and 1MeV/u. With a well chosen basis-function set, we have found that AOCC gives good agreement with LTDSE. Also, with regard to Wigner's n-3 law, we have found that CTMC gives good extrapolations to the cross sections calculated by LTDSE and AOCC toward high n levels such as for those greater than 6. Thus, in our presentation, we will propose theoretical values of the total charge-transfer cross sections for these collision systems based on a combination of the most reliable results of the various method. This research used resources of the Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract DE-AC05-00OR22725, and also of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC03-76SF00098.

  4. Total electron loss, charge transfer, and ionization in proton-hydrogen collisions at 10-100 keV

    NASA Astrophysics Data System (ADS)

    Kołakowska, A.; Pindzola, M. S.; Schultz, D. R.

    1999-05-01

    A three-dimensional lattice solution of the time-dependent Schrödinger equation for low quantum states (n<=3) is combined with classical trajectory Monte Carlo results for high quantum states (n>=4) to predict total electron loss and total charge-transfer cross sections for proton collisions with atomic hydrogen at intermediate energies. The total charge-transfer cross sections range from 5% above to 10% below the furnace target measurements of McClure [Phys. Rev. 148, 47 (1966)], while the total electron-loss cross sections range from 5% to 15% above the pulsed crossed-beams measurements of Shah, Elliot, and Gilbody [J. Phys. B 20, 3501 (1987)]. The calculation of ionization as a difference between electron loss and charge transfer leads to theoretical ionization cross sections that are 10% to 35% larger than the crossed-beams measurements of Shah and Gilbody [J. Phys. B 14, 2361 (1981)] and Shah, Elliott, and Gilbody [J. Phys. B 20, 2481 (1987)].

  5. Absolute Charge Transfer and Fragmentation Cross Sections in He{sup 2+}-C{sub 60} Collisions

    SciTech Connect

    Rentenier, A.; Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A.; Ruiz, L. F.; Diaz-Tendero, S.; Alcami, M.; Martin, F.; Zarour, B.; Hanssen, J.; Hervieux, P.-A.; Politis, M. F.

    2008-05-09

    We have determined absolute charge transfer and fragmentation cross sections in He{sup 2+}+C{sub 60} collisions in the impact-energy range 0.1-250 keV by using a combined experimental and theoretical approach. We have found that the cross sections for the formation of He{sup +} and He{sup 0} are comparable in magnitude, which cannot be explained by the sole contribution of pure single and double electron capture but also by contribution of transfer-ionization processes that are important even at low impact energies. The results show that multifragmentation is important only at impact energies larger than 40 keV; at lower energies, sequential C{sub 2} evaporation is the dominant process.

  6. State-selective charge transfer in slow collisions of B5+ with H2

    NASA Astrophysics Data System (ADS)

    Dwayne, Joseph; Saha, Bidhan

    2004-05-01

    State selective charge transfer from H2 by B5+ in the low energy region (0.01 < E <2 keV/amu) has been investigated employing the semi-classical, impact parameter, close-coupling method based on a molecular expansion augmented with the plane wave electron translation factor. Freezing the molecular features of H2, the colliding system is approximated[1] by a pseudo-one-electron entity. The method of pseudo-potential is used to account for the binding of the electron in the transient diatomic quasi-molecule. A large number of coupled equations are solved to obtain converged cross sections. Comparisons are made with other theoretical and experimental results. [1] A. kumar and B. C. Saha, J. Phys. B 31, L937 (1998); A. Kumar and B. C. Saha, Phys. Rev. A 59, 1273 (1999).

  7. Charge Transfer Dissociation of Complex Oligosaccharides: Comparison with Collision-Induced Dissociation and Extreme Ultraviolet Dissociative Photoionization

    NASA Astrophysics Data System (ADS)

    Ropartz, David; Li, Pengfei; Fanuel, Mathieu; Giuliani, Alexandre; Rogniaux, Hélène; Jackson, Glen P.

    2016-10-01

    The structural characterization of oligosaccharides still challenges the field of analytical chemistry. Tandem mass spectrometry offers many advantages toward this aim, although the generic fragmentation method (low-energy collision-induced dissociation) shows clear limitations and is often insufficient to retrieve some essential structural information on these molecules. In this work, we present the first application of helium charge transfer dissociation (He-CTD) to characterize the structure of complex oligosaccharides. We compare this method with low-energy collision-induced dissociation and extreme-ultraviolet dissociative photoionization (XUV-DPI), which was shown previously to ensure the successful characterization of complex glycans. Similarly to what could be obtained by XUV-DPI, He-CTD provides a complete description of the investigated structures by producing many informative cross-ring fragments and no ambiguous fragmentation. Unlike XUV-DPI, which is performed at a synchrotron source, He-CTD has the undeniable advantage of being implementable in a conventional benchtop ion trap in a conventional laboratory setting.

  8. Charge transfer and ionization in collisions of Si{sup 3+} with H from low to high energy

    SciTech Connect

    Wang, J. G.; He, B.; Ning, Y.; Liu, C. L.; Yan, J.; Stancil, P. C.; Schultz, D. R.

    2006-11-15

    Charge transfer processes due to collisions of ground state Si{sup 3+}(3s {sup 1}S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) and classical-trajectory Monte Carlo (CTMC) methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained from Herrero et al. [J. Phys. B 29, 5583 (1996)] which were calculated with a full configuration-interaction method. Total and state-selective single-electron capture cross sections are obtained for collision energies from 0.01 eV/u to 1 MeV/u. Total and state-selective rate coefficients are also presented for temperatures from 2x10{sup 3} K to 10{sup 7} K. Comparison with existing data reveals that the total CTMC cross sections are in good agreement with the experimental measurements at the higher considered energies and that previous Landau-Zener calculations underestimate the total rate coefficients by a factor of up to two. The CTMC calculations of target ionization are presented for high energies.

  9. Radiative and nonradiative charge transfer in collisions of Be{sup 2+} and B{sup 3+} ions with H atoms

    SciTech Connect

    Liu, C. H.; Wang, J. G.; Liu, L.; Qu, Y. Z.; Janev, R. K.

    2010-08-15

    The nonradiative charge-transfer processes in Be{sup 2+}(1s{sup 2})+H(1s) and B{sup 3+}(1s{sup 2})+H(1s) collisions are investigated by the quantal molecular orbital close-coupling method in the energy range of 10{sup -5}eV/u-10 keV/u and by the two-center atomic-orbital close-coupling method in the energy range of 0.1-100 keV/u. The radiative charge-transfer cross sections are calculated by using the optical potential and semiclassical methods in the energy range 10{sup -5}-100 eV/u. For both collision systems, the nonradiative charge-transfer cross sections in the low-energy region show an increasing behavior with decreasing energy. The nonradiative process is the dominant charge-transfer process in the Be{sup 2+}(1s{sup 2})+H(1s) collision in the entire eV and sub-eV energy region. In the B{sup 3+}(1s{sup 2})+H(1s) collision case, however, the cross section for radiative decay to 1 {sup 2{Sigma}+} and 2 {sup 2{Sigma}+} molecular states significantly exceeds that for the nonradiative process for energies below 30 eV/u.

  10. Improved atomic model for charge transfer in multielectron ion-atom collisions at intermediate energies

    NASA Astrophysics Data System (ADS)

    Lin, C. D.; Tunnell, L. N.

    1980-07-01

    Electron capture to the K shell of projectiles from the K and other subshells of multielectron target atoms is studied in the intermediate energy region using the single-active-electron approximation and the two-state, two-center atomic eigenfunction expansion method. It is concluded that the theoretical capture cross section is not sensitive to the atomic models used at high collision energies where the projectile velocity v is near or greater than the orbital velocity ve of the active electron. For vcollision systems are obtained and compared with experimental data when available to illustrate the reliability of the present model.

  11. Radiative charge transfer in ultra-cold collisions of S with Protons

    NASA Astrophysics Data System (ADS)

    Stancil, P. C.; Shen, G.; McCann, J. F.; McLaughlin, B. M.

    2014-05-01

    Molecule formation processes involving second-row elements is of prime interest as searches are ongoing in a variety of interstellar and circumstellar media. We have investigated radiative decay processes at ultra-cold temperatures and above for S colliding with H+. Previously, we have investigated this system for radiative association. We use the MOLPRO quantum chemistry suite of codes to obtain accurate potential energies and transition dipole moments as a function of internuclear distance between low-lying states of the SH+ molecular ion complex. A multi-reference configuration-interaction (MRCI) approximation is used to determine all the potential energy curves and transition dipole moments, where the molecular orbitals (MO's) are obtained from state-averaged multiconfiguration-self-consistent-field (MCSCF) calculations. The collision problem is solved using a fully quantum-mechanical approach, an optical potential method, and a semiclassical approximation at higher energies. Rate coefficients are determined for temperatures ranging from micro-Kelvin up to 20,000 K. Further details and a comprehensive set of results will be presented. The work at UGA was partially supported by NASA grant NNX09AC46G. Computations were performed at the NERSC facilities in Oakland, CA, USA, supported by DOE. GS acknowledges travel support by the International Cooperation and Exchange Foundation of CAEP.

  12. Relating the current science of ion-defect behavior in ice to a plausible mechanism for directional charge transfer during ice particle collisions.

    PubMed

    Devlin, J Paul

    2011-11-28

    A melding of modern experimental results descriptive of fundamental ion defect properties of ice is presented as a logical basis of a mechanism for the preferential transfer of positive charge from large to small colliding ice particles. The result may relate to the electrification of storm clouds. It is broadly agreed that such localized charge transfer during collision of small upwardly mobile ice particles with falling ice granules (i.e., graupel/hail) can lead to macroscopic charge separation capable of initiating lightning strikes during the expansion stage of a storm cell. Though the larger particles are thought to become negatively charged during the collisions neither a generally favored charge-exchange agent nor a preferred mechanism for the directional particle-to-particle charge transfer exists. Nevertheless, should ionic point defects of ice play a key role, the fundamental properties of ice defects considered here must apply. They include: (1) above 140 K protons move readily within and on the surface of ice while hydroxide ions are orders-of-magnitude less mobile, (2) whether generated by dissociation of HCl buried in ice, during neat ice particle growth, or at platinum-ice interfaces, interior protons move to and apparently collect at the ice-vacuum interface, and (3) proton activity and populations are orders-of-magnitude greater at the surface of ice films and free-standing ice particles than in the interior. From these fundamentals an untested argument is developed that within an ensemble of free floating ice particles the proton density at the surface is greater for larger particles. This implies a plausible proton-based mechanism that is consistent with current concepts of ice particle charging through collisions.

  13. Radiative and nonradiative charge transfer in He{sub +} + H{sub 2} Collisions in the meV regime

    SciTech Connect

    Kimura, M.; Lane, N.F. |

    1992-12-01

    Schauer et al. recently measured absolute rate constants at ultra-low energy in an experiment for dissociative charge transfer (DCT) of He{sup +} ions on hydrogen molecules, and radiative charge transfer (RCT) between the same particles at T=15K. The authors proposed that exoergic inelastic processes proceed via tunneling for DCT and dipole coupling for RCT. The present findings are in reasonable accord with the measurements.

  14. Charge-transfer processes in F{sup 2+}+H{yields}F{sup +}+H{sup +} collisions and the reverse process at low-keV energies

    SciTech Connect

    Dutta, C. M.; Nordlander, P.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Kimura, M.

    2005-11-15

    Theoretical investigations on single charge-transfer processes in collisions of F{sup 2+}+H{yields}F{sup +}+H{sup +} and its reverse process have been carried out at collision energies from 20 eV/u to 10 keV/u. The molecular orbital expansion method within the semiclassical impact parameter formalism has been employed for the scattering dynamics, while the ab initio multireference single- and double-excitation configuration interaction (MRD-CI) method was adopted for determination of molecular electronic states. The initial channels correspond to the quintet and triplet states for the corresponding collision processes, respectively. Four molecular states in the quintet manifold and eight molecular states in the triplet manifold were coupled. In the quintet manifold, the charge-transfer cross sections for F{sup 2+}+H{yields}F{sup +}+H{sup +} range from 1.3x10{sup -22} cm{sup 2} at 20 eV/u to 2.5x10{sup -15}cm{sup 2} at 10 keV/u. The cross sections of the reverse process, F{sup +}+H{sup +}{yields}F{sup 2+}+H, range from 3.0x10{sup -22} cm{sup 2}to 2.3x10{sup -15} cm{sup 2} in the same energy range. In the triplet states, the charge-transfer cross sections for F{sup 2+}+H{yields}F{sup +}+H{sup +} range from 1.1x10{sup -18} cm{sup 2} to 2.5x10{sup -16} cm{sup 2}, and its reverse process gives charge-transfer cross sections ranging from 1.7x10{sup -24} cm{sup 2} to 1.5x10{sup -17} cm{sup 2}.

  15. Charge transfer in collisions of the effectively-one-electron isocharged ions Si3+, C3+, and O3+ with atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Guevara, N. L.; Teixeira, E.; Hall, B.; Öhrn, Y.; Deumens, E.; Sabin, J. R.

    2011-05-01

    In a recent paper [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.77.064702 77, 064702 (2008)], Bruhns reported on an experimental investigation of charge transfer in collisions of Si3+ ions with atomic hydrogen and compared the energy dependence of the transfer cross sections with published theoretical results and with earlier experimental results for other effectively-one-electron isocharged ions, including C3+ and O3+. These authors observe that these three ions all have the structure of a single electron outside a closed subshell and thus might be expected to behave similarly. However, their results show quite different behavior, and they conclude that the influence of quantum-mechanical effects from the ionic core is clearly seen. We have investigated theoretically three collision systems, Si3+, C3+, and O3+ with atomic hydrogen, at projectile energies up to 10 keV/amu using the method of electron nuclear dynamics (END). In this paper we want to clarify and describe in some detail these quantum-mechanical effects by showing the time-dependent dynamics of the electrons during the collision of these three ions with atomic hydrogen. Total charge transfer cross sections were calculated for all three ions and compared with other theoretical and experimental results, showing good overall agreement. With this validation of the END description of the processes, we analyze the details of the computed dynamics of the electrons in each of the processes and illustrate the different mechanisms underlying observed differences in reaction outcomes.

  16. Numerical study of charge transfer in ion-ion collisions using the lattice time-dependent Schr"odinger equation method

    NASA Astrophysics Data System (ADS)

    Minami, T.; Pindzola, M. S.; Lee, T.-G.; Schultz, D. R.

    2006-05-01

    Br"auning, et.al. (J. Phys. B, 38, p2311) recently measured cross sections of charge transfer in collisions of He^2+ with Li^2+. At the same time, they also performed calculations of the cross sections of this collision system and of collisions of H^+ with He^+ using the basis generator method (BGM). For the former system, BGM seems to overestimate the cross sections compared to their experiment, while for the latter system, BGM provides excellent agreement with past experiments. Since both are ion-ion collision with asymmetrical nuclear charges involving one electron, BGM agreeing one system but the other points to a situation requiring further study. Motivated by this question, we have performed atomic orbital coupled channel (AOCC) calculations for both systems. When we use our most complete basis set for the calculations, we obtain results close to BGM on both systems. However, results from AOCC do not readily converge with regard to the size of the basis sets and therefore results were not conclusive. We also have performed the lattice time-dependent Schr"odinger equation (LTDSE) calculations. Preliminary results for both systems by LTDSE are close to BGM. In this presentation, we compare BGM, AOCC and LTDSE with the experiment. This research used resources of NCCS at ORNL and NERSC, and was supported by DOE OFES.

  17. Excitation and charge transfer in He/sup +/+H collisions. A study of the origin dependence of calculated cross sections

    SciTech Connect

    Macias, A.; Riera, A.; Yanez, M.

    1983-01-01

    A treatment of the He/sup +/-H collision is presented in an impact-parameter formalism for collision energies 0.5--30 keV. The origin dependence of the calculated total cross sections is studied in detail. It is shown that the branching ratio between reactions He/sup +/(1s)+H(1s)..-->..He/sup +/(1s)+H(2n) and He/sup +/(1s)+H(1s)..-->..He(1s2p)+H/sup +/ oscillates as a function of the origin of electronic coordinates chosen in the calculation. This oscillation is strong enough so that at nuclear velocity 0.5 a.u., either both reactions are competitive or one of them can have a cross section for the reaction He(1s/sup 2/)+H/sup +/..-->..He/sup +/(1s)+H(1s) can either be negligble or comparable to those of the other reactions. We study the oscillatory behavior of the charge-exchange-transition probability as a function of 1/v. We show the similarity, for high velocity, between nonresonant and resonant change-exhange processes, the origin of the damping factor, and the influence of the rotatioal coupling on the transition probabilities as functions of 1/v. A connection between Lichten's and Denkov's models is established.

  18. Comparative study on contribution of charge-transfer collision to excitations of iron ion between argon radio-frequency inductively-coupled plasma and nitrogen microwave induced plasma

    NASA Astrophysics Data System (ADS)

    Satoh, Kozue; Wagatsuma, Kazuaki

    2015-06-01

    This paper describes an ionization/excitation phenomenon of singly-ionized iron occurring in an Okamoto-cavity microwave induced plasma (MIP) as well as an argon radio-frequency inductively-coupled plasma (ICP), by comparing the Boltzmann distribution among iron ionic lines (Fe II) having a wide range of the excitation energy from 4.76 to 9.01 eV. It indicated in both the plasmas that plots of Fe II lines having lower excitation energies (4.76 to 5.88 eV) were fitted on each linear relationship, implying that their excitations were caused by a dominant thermal process such as collision with energetic electron. However, Fe II lines having higher excitation energies (more than 7.55 eV) had a different behavior from each other. In the ICP, Boltzmann plots of Fe II lines assigned to the higher excited levels also followed the normal Boltzmann relationship among the low-lying excited levels, even including a deviation from it in particular excited levels having an excitation energy of ca. 7.8 eV. This deviation can be attributed to a charge-transfer collision with argon ion, which results in the overpopulation of these excited levels, but the contribution is small. On the other hand, the distribution of the high-lying excited levels was non-thermal in the Okamoto-cavity MIP, which did not follow the normal Boltzmann relationship among the low-lying excited levels. A probable reason for the non-thermal characteristics in the MIP is that a charge-transfer collision with nitrogen molecule ion having many vibrational/rotational levels could work for populating the 3d64p (3d54s4p) excited levels of iron ion broadly over an energy range of 7.6-9.0 eV, while collisional excitation by energetic electron would occur insufficiently to excite these high-energy levels.

  19. Charge transfer in slow collisions of O{sup 8+} and Ar{sup 8+} ions with H(1s) below 2 keV/amu

    SciTech Connect

    Lee, Teck-Ghee; Hesse, M.

    2004-07-01

    We calculated the charge-transfer cross sections for O{sup 8+}+H collisions for energies from 1 eV/amu to 2 keV/amu, using the recently developed hyperspherical close-coupling method. In particular, the discrepancy for electron capture to the n=6 states of O{sup 7+} from the previous theoretical calculations is further analyzed. Our results indicate that at low energies (below 100 eV/amu) electron capture to the n=6 manifold of O{sup 7+} becomes dominant. The present results are used to resolve the long-standing discrepancies from the different elaborate semiclassical calculations near 100 eV/amu. We have also performed the semiclassical atomic orbital close-coupling calculations with straight-line trajectories. We found the semiclassical calculations agree with the quantal approach at energy above 100 eV/amu, where the collision occurs at large impact parameters. Calculations for Ar{sup 8+}+H collisions in the same energy range have also been carried out to analyze the effect of the ionic core on the subshell cross sections. By using diabatic molecular basis functions, we show that converged results can be obtained with small numbers of channels.

  20. Excitation and charge transfer in low-energy hydrogen-atom collisions with neutral atoms: Theory, comparisons, and application to Ca

    NASA Astrophysics Data System (ADS)

    Barklem, Paul S.

    2016-04-01

    A theoretical method is presented for the estimation of cross sections and rates for excitation and charge-transfer processes in low-energy hydrogen-atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent interactions in the neutral atom-hydrogen-atom system. The calculation of potentials and nonadiabatic radial couplings using the method is demonstrated. The potentials are used together with the multichannel Landau-Zener model to calculate cross sections and rate coefficients. The main feature of the method is that it employs asymptotically exact atomic wave functions, which can be determined from known atomic parameters. The method is applied to Li+H , Na+H , and Mg+H collisions, and the results compare well with existing detailed full-quantum calculations. The method is applied to the astrophysically important problem of Ca+H collisions, and rate coefficients are calculated for temperatures in the range 1000-20 000 K.

  1. Resonant charge transfer process in ion-metal surface collisions: effect of the presence of vacancies on the surface

    NASA Astrophysics Data System (ADS)

    Silva, J. A. M. C.; Wolfgang, J.; Borisov, A. G.; Gauyacq, J. P.; Nordlander, P.; Teillet-Billy, D.

    In this paper an investigation of how the presence of a vacancy on a metal surface influences the energy shift and broadening of negative ion states near the surface is presented. Results for H - and F - ions in the vicinity of a surface vacancy defect on an Al(1 1 1) surface are included. The vacancy-induced electron potential is calculated using a density functional method and the Coupled Angular Mode (CAM) method is used to determine the shift and broadening of H - and F - levels. The results show that the vacancy induces a repulsive potential, shifting the negative ion levels up, while narrowing the width. These two effects have opposite influences on the resonant charge transfer process. Their approximate cancellation makes the RCT process in these systems relatively insensitive to vacancies in the surface layer.

  2. Holographic heavy ion collisions with baryon charge

    SciTech Connect

    Casalderrey-Solana, Jorge; Mateos, David; van der Schee, Wilke; Triana, Miquel

    2016-09-19

    We numerically simulate collisions of charged shockwaves in Einstein-Maxwell theory in anti-de Sitter space as a toy model of heavy ion collisions with non-zero baryon charge. The stress tensor and the baryon current become well described by charged hydrodynamics at roughly the same time. The effect of the charge density on generic observables is typically no larger than 15%. Finally, we find significant stopping of the baryon charge and compare our results with those in heavy ion collision experiments.

  3. Holographic heavy ion collisions with baryon charge

    NASA Astrophysics Data System (ADS)

    Casalderrey-Solana, Jorge; Mateos, David; van der Schee, Wilke; Triana, Miquel

    2016-09-01

    We numerically simulate collisions of charged shockwaves in Einstein-Maxwell theory in anti-de Sitter space as a toy model of heavy ion collisions with non-zero baryon charge. The stress tensor and the baryon current become well described by charged hydrodynamics at roughly the same time. The effect of the charge density on generic observables is typically no larger than 15%. We find significant stopping of the baryon charge and compare our results with those in heavy ion collision experiments.

  4. Charge exchange in H^+ + He^+ collision

    NASA Astrophysics Data System (ADS)

    Guevara Leon, Nicolais; Sabin, John R.; Deumens, Erik; Ohrn, Yngve

    2008-05-01

    Charge exchange in H^+ + He^+ collision are investigated theoretically at projectile energies below the ionization threshold at about 100 keV/amu. The electron nuclear dynamics (END) method is used to analyze the collision processes. Total charge exchange cross sections were calculated and compared with other theoretical and experimental data.

  5. Vibrational effect on charge-transfer processes in collisions of H{sup +} and O{sup +} ions with C{sub 2}H{sub 4} molecules at energies below 10 keV/u

    SciTech Connect

    Kusakabe, Toshio; Gotanda, Kazushi; Kimura, Mineo; Rai, Sachchida N.; Liebermann, Heinz-Peter; Buenker, Robert J.

    2007-10-15

    Charge-transfer processes in collisions of H{sup +} and O{sup +} ions with C{sub 2}H{sub 4} molecules have been studied in joint theoretical and experimental approaches for collision energies below 10 keV/u. Since H and O atoms possess nearly identical ionization potentials, these two ions are expected to share similar dynamics and hence to have similar cross-section values for charge transfer, at least for the energy region above 100 eV. In the present experiments, these cross sections of H{sup +} and O{sup +} ions have been derived by the initial growth rate method in the energy range of 0.20 to 3.6 keV, while the present theoretical study has been carried out for H{sup +} impact only. We have examined the vibrational effect on charge transfer, especially the 'temperature effect' of the initial vibrational states of the C{sub 2}H{sub 4} molecule as well as the final vibrational states of the product C{sub 2}H{sub 4}{sup +} molecular ion. Indeed, a strong influence of the initial vibrational states on charge transfer has been observed since these vibrationally excited initial and final states force the process to be more nearly resonant, thus making charge transfer more efficient. This vibrational effect, and perhaps rotational effect as well, that makes the collision process more nearly resonant has not been well investigated previously, and thus the present study is expected to shed much light on this effect in general.

  6. Charge transfer in collisions of B{sup 2+}({sup 2}{ital S},{sup 2}{ital P}) and B{sup 3+}({sup 1}{ital S}) ions with He atoms below 200 keV

    SciTech Connect

    Kimura, M. |; Suzuki, S.; Shimakura, N.; Gu, J.P.; Hirsch, G.; Buenker, R.J.; Shimamura, I.

    1996-10-01

    Charge transfer in B{sup 2+}({sup 2}{ital S},{sup 2}{ital P})+He and in B{sup 3+}({sup 1}{ital S})+He collisions is studied theoretically by using a semiclassical molecular representation with 8 and 12 molecular channels for B{sup 2+} and B{sup 3+} on He systems, respectively, at collision energies between 200 eV and 200 keV for the former and between 600 eV and 50 keV for the latter. The {ital ab} {ital initio} potential curves and nonadiabatic coupling matrix elements are obtained from the multireference single- and double-excitation configuration-interaction (MRD-CI) calculations for the B{sup 2+}-He system and a pseudopotential-modified configuration-interaction method for the B{sup 3+}-He system. The present cross sections for charge transfer by the ground state B{sup 2+} ions are found to have a broad maximum with a magnitude as large as 2{times}10{sup {minus}15} cm{sup 2} at 100 keV and those by an excited B{sup 2+}({sup 2}{ital P}) state are found to be larger by a factor of 6 than those by the ground state in the same energy regime. B{sup 2+}-excitation cross sections are smaller than those for charge transfer below 1 keV, while they increasingly dominate above this energy. The present total charge-transfer cross section for B{sup 3+} in collisions with He is similar to that obtained in earlier work by Gargaud {ital et} {ital al}. [J. Phys. B {bold 27}, 3985 (1994)] both in magnitude and energy dependence, but is found to show slightly different B{sup 2+}(2{ital s}) and B{sup 2+}(2{ital p}) production ratio. {copyright} {ital 1996 The American Physical Society.}

  7. Charge transferred in brush discharges

    NASA Astrophysics Data System (ADS)

    Talarek, M.; Kacprzyk, R.

    2015-10-01

    Electrostatic discharges from surfaces of plastic materials can be a source of ignition, when appear in explosive atmospheres. Incendivity of electrostatic discharges can be estimated using the transferred charge test. In the case of brush discharges not all the energy stored at the tested sample is released and the effective surface charge density (or surface potential) crater is observed after the discharge. Simplified model, enabling calculation of a charge transferred during electrostatic brush discharge, was presented. Comparison of the results obtained from the simplified model and from direct measurements of transferred charge are presented in the paper.

  8. Resonance charge transfer, transport cross sections, and collision integrals for N(+)(3P)-N(4S0) and O(+)(4S0)-O(3P) interactions

    NASA Technical Reports Server (NTRS)

    Stallcop, James R.; Partridge, Harry; Levin, Eugene

    1991-01-01

    N2(+) and O2(+) potential energy curves have been constructed by combining measured data with the results from electronic structure calculations. These potential curves have been employed to determine accurate charge exchange cross sections, transport cross sections, and collision integrals for ground state N(+)-N and O(+)-O interactions. The cross sections have been calculated from a semiclassical approximation to the scattering using a computer code that fits a spline curve through the discrete potential data and incorporates the proper long-range behavior of the interactions forces. The collision integrals are tabulated for a broad range of temperatures 250-100,000 K and are intended to reduce the uncertainty in the values of the transport properties of nonequilibrium air, particularly at high temperatures.

  9. Charge transfer between fullerenes and highly charged noble gas ions

    NASA Astrophysics Data System (ADS)

    Narits, A. A.

    2008-07-01

    A semiclassical model for the description of charge-exchange processes in collisions between fullerenes and multiply charged ions is developed. It is based on the decay model combined with the impact-parameter representation for the heavy particles' relative motion. The charge-transfer process in our model is treated as a transition of the active electron over and under the quasistatic potential barrier formed by the electric fields of the target and projectile. Due to the high electron delocalization on the surface of fullerene we represent it as a perfectly conducting hard sphere, whose radius is determined by the dipole polarizability of C60. The energies of the active electrons are assumed to be equal to the corresponding ionization potentials including the Stark-shift effect. We have developed an efficient technique for the evaluation of the electron transmission coefficient through the asymmetric potential barrier. It is shown that our model provides a good agreement with the available experimental data on single-electron charge-exchange processes. Moreover, it allows us to get an adequate description of multi-electron transfer processes. The first theoretical results on charge exchange between the fullerene ions and highly charged ions have been obtained.

  10. Investigation of charge transfer and ionization in He-like systems (Li{sup +}, Be{sup 2+}, B{sup 3+}, C{sup 4+}, N{sup 5+}, O{sup 6+})-hydrogen atom collisions in Debye plasmas

    SciTech Connect

    Pandey, M. K.; Lin, Y.-C.; Ho, Y. K.

    2013-02-15

    The charge transfer and ionization cross sections have been calculated for He-like system (Li{sup +}, Be{sup 2+}, B{sup 3+}, C{sup 4+}, N{sup 5+}, O{sup 6+}) and hydrogen atom collisions in Debye plasmas for energies ranging from 1 to 500 keV using the classical trajectory Monte Carlo method. Interactions of the active electrons with the projectile ions have been described by model potentials. Cross sections are determined in both screening and unscreening environments, and a comparative study between both environments has been carried out. In particular, an interesting feature of sudden increase in the ionization cross sections at lower velocities is also observed in all the systems like pandey et al.[M. K. Pandey et al., Phys. Plasmas 19, 062104 (2012)] calculations for O{sup 8+}+ H collision. The feature of sudden increase in ionization cross sections at lower velocities and the effect of plasmas condition on it are explained in terms of the classical trajectory framework. We have found the cross sections for both capture and ionization are dependence on Debye screening lengths throughout the collision energies range, but are particularly pronounced at low projectile collisions energies. The calculated cross sections for the unscreened case are found in reasonable agreement with available experimental and theoretical results.

  11. Catalysis: Quantifying charge transfer

    NASA Astrophysics Data System (ADS)

    James, Trevor E.; Campbell, Charles T.

    2016-02-01

    Improving the design of catalytic materials for clean energy production requires a better understanding of their electronic properties, which remains experimentally challenging. Researchers now quantify the number of electrons transferred from metal nanoparticles to an oxide support as a function of particle size.

  12. Correlated charge-changing ion-atom collisions

    SciTech Connect

    Tanis, J.A.

    1992-04-01

    This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant DE-FG02-87ER13778 from March 16, 1991 through March 15, 1992. This work involves the experimental investigation of fundamental atomic processes in collisions of charged projectiles with neutral targets or electrons, with particular emphasis on two-electron interactions and electron correlation effects. Processes involving combinations of excitation, ionization, and charge transfer are investigated utilizing coincidence techniques in which projectiles charge-changing events are associated with x-ray emission, target recoil ions, or electron emission. New results have been obtained for studies involving (1) resonant recombination of atomic ions, (2) double ionization of helium, and (3) continuum electron emission. Experiments were conducted using accelerators at the Lawrence Berkeley Laboratory, Argonne National Laboratory, Michigan State University, Western Michigan University, and the Institute of Nuclear Research, Debrecen, Hungary. Brief summaries of work completed and work in progress are given in this report.

  13. Momentum transfer in relativistic heavy ion charge-exchange reactions

    NASA Technical Reports Server (NTRS)

    Townsend, L. W.; Wilson, J. W.; Khan, F.; Khandelwal, G. S.

    1991-01-01

    Relativistic heavy ion charge-exchange reactions yield fragments (Delta-Z = + 1) whose longitudinal momentum distributions are downshifted by larger values than those associated with the remaining fragments (Delta-Z = 1, -2,...). Kinematics alone cannot account for the observed downshifts; therefore, an additional contribution from collision dynamics must be included. In this work, an optical model description of collision momentum transfer is used to estimate the additional dynamical momentum downshift. Good agreement between theoretical estimates and experimental data is obtained.

  14. Static charging by collisions with ice particles

    NASA Astrophysics Data System (ADS)

    Illingworth, A. J.; Caranti, J.

    Recent laboratory work will be described which gives considerable insight into the fundamental processes of charge flow and separation which operate when small ice particles impact upon metal surfaces or upon a second ice surface. This work suggests that the charge transfer when ice contacts metal or ice should be to some extent predictable and dependent upon the work function of the metal and the surface or contact potential of the ice. This contact potential is different for ice formed in the atmosphere by different natural methods.

  15. Femtosecond laser field induced modifications of electron-transfer processes in Ne{sup +}-He collisions

    SciTech Connect

    Lu Zhenzhong; Chen Deying; Fan Rongwei; Xia Yuanqin

    2012-01-02

    We demonstrate the presence of femtosecond laser induced charge transfer in Ne{sup +}-He collisions. Electron transfer in ion-atom collisions is considerably modified when the collision is embedded in a strong laser field with the laser intensity of {approx}10{sup 15} W/cm{sup 2}. The observed anisotropy of the He{sup +} angular distribution confirms the prediction of early work that the capture probability varies significantly with the laser polarization angle.

  16. Contact charge-transfer lasers

    SciTech Connect

    Dharamsi, A.N.; Tulip, J.

    1981-07-01

    A mechanism for sustaining population inversions in contact charge-transfer complexes in which the ground electronic state is not bound is described. The mechanism relies on picosecond radiationless depletion of the lower laser state. This generates an inversion even when the ground-state potential curve, as plotted against the donor-acceptor distance, is not repulsive vertically below the excited state minimum. Contact charge-transfer lasers would offer high gain, high-energy density, and tunable sources of coherent radiation in the uv and visible. A method for pumping such a laser is examined and applied to the pyrrole-oxygen complex. A rate equation analysis is done and estimates for gain and energy density are presented.

  17. Charge Transfer Calculations and Database for Astrophysics

    NASA Technical Reports Server (NTRS)

    Wang, J. G.; Stancil, P. C.; Rakovic, M.; Schultz, D. R.; Zygelman, B.

    2002-01-01

    A variety of theoretical approaches, having different but overlapping energy ranges of applicability, are applied to investigate charge transfer processes for collisions of atomic ions with atoms and molecules. The methods include quantal molecular-orbital close-coupling, classical trajectory Monte Carlo, and continuum distorted wave methods. Recent collision systems studied include S(+4) + H, S(+4) + He, N(+7) + He, H2O, CO, and CO2, O(+q)(q = 1 - 8) + H, H2, and S(+q)(q = 1 - 16) + H2. The database effort is concentrating on astrophysically important reactions of atomic ions X(+q)(X=H-Zn, q=1-4, and selected higher charges) with H, He, various metal atoms, H2, and other selected molecular targets. Existing data, much of it produced by us, has been compiled and critically evaluated. Data for many reactions missing in the literature are estimated using the multichannel Landau-Zener approximation. Fits to cross sections and rate coefficients using standard functions are provided as well as tabulations of the raw data. The database is available on the World Wide Web at cfadc.phy.ornl.gov/astro/ps/data.

  18. Chemical activation through super energy transfer collisions.

    PubMed

    Smith, Jonathan M; Nikow, Matthew; Ma, Jianqiang; Wilhelm, Michael J; Han, Yong-Chang; Sharma, Amit R; Bowman, Joel M; Dai, Hai-Lung

    2014-02-05

    Can a molecule be efficiently activated with a large amount of energy in a single collision with a fast atom? If so, this type of collision will greatly affect molecular reactivity and equilibrium in systems where abundant hot atoms exist. Conventional expectation of molecular energy transfer (ET) is that the probability decreases exponentially with the amount of energy transferred, hence the probability of what we label "super energy transfer" is negligible. We show, however, that in collisions between an atom and a molecule for which chemical reactions may occur, such as those between a translationally hot H atom and an ambient acetylene (HCCH) or sulfur dioxide, ET of chemically significant amounts of energy commences with surprisingly high efficiency through chemical complex formation. Time-resolved infrared emission observations are supported by quasi-classical trajectory calculations on a global ab initio potential energy surface. Results show that ∼10% of collisions between H atoms moving with ∼60 kcal/mol energy and HCCH result in transfer of up to 70% of this energy to activate internal degrees of freedom.

  19. Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited

    SciTech Connect

    Moore, Barry; Sun, Haitao; Govind, Niranjan; Kowalski, Karol; Autschbach, Jochen

    2015-07-14

    Criteria to assess charge-transfer (CT) and `CT-like' character of electronic excitations are examined. Time-dependent density functional theory (TDDFT) with non-hybrid, hybrid, and tuned long-range corrected (LC) functionals is compared with with coupled-cluster (CC) benchmarks. The test set includes an organic CT complex, two `push-pull' donor-acceptor chromophores, a cyanine dye, and several polycyclic aromatic hydrocarbons. Proper CT is easily identified. Excitations with significant density changes upon excitation within regions of close spatial proximity can also be diagnosed. For such excitations, the use of LC functionals in TDDFT sometimes leads to dramatic improvements of the singlet energies, similar to proper CT, which has led to the concept of `CT-like' excitations. However, `CT-like' excitations are not like charge transfer, and the improvements are not obtained for the right reasons. The triplet excitation energies are underestimated for all systems, often severely. For the `CT-like' candidates, when going from a non-hybrid to an LC functional the error in the singlet-triplet (S/T) separation changes from negative to positive, providing error compensation. For the cyanine, the S/T separation is too large with all functionals, leading to the best error compensation for non-hybrid functionals.

  20. Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited.

    PubMed

    Moore, Barry; Sun, Haitao; Govind, Niranjan; Kowalski, Karol; Autschbach, Jochen

    2015-07-14

    Criteria to assess charge-transfer (CT) and CT-like character of electronic excitations are examined. Time-dependent density functional theory (TDDFT) calculations with non-hybrid, hybrid, and tuned long-range corrected (LC) functionals are compared with coupled-cluster (CC) benchmarks. The test set comprises an organic CT complex, two push-pull donor-acceptor chromophores, a cyanine dye, and several polycyclic aromatic hydrocarbons. Proper CT is easily identified. Excitations with significant density changes upon excitation within regions of close spatial proximity can also be diagnosed. For such excitations, the use of LC functionals in TDDFT sometimes leads to dramatic improvements of the singlet energies, similar to proper CT. It is shown that such CT-like excitations do not have the characteristics of physical charge transfer, and improvements with LC functionals may not be obtained for the right reasons. The TDDFT triplet excitation energies are underestimated for all systems, often severely. For the CT-like candidates, the singlet-triplet (S/T) separation changes from negative with a non-hybrid functional to positive with a tuned LC functional. For the cyanine, the S/T separation is systematically too large with TDDFT, leading to better error compensation for the singlet energy with a non-hybrid functional.

  1. UNIVERSAL BEHAVIOR OF CHARGED PARTICLE PRODUCTION IN HEAVY ION COLLISIONS.

    SciTech Connect

    STEINBERG,P.A.FOR THE PHOBOS COLLABORATION

    2002-07-24

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at {radical}(s{sub NN}) = 19.6, 130 and 200 GeV. Two observations indicate universal behavior of charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/{bar p}p and e{sup +}e{sup -} data. / in nuclear collisions at high energy scales with {radical}s in a similar way as N{sub ch} in e{sup +}e{sup -} collisions and has a very weak centrality dependence. These features may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  2. Neutral Collisions and Charge Exchange in Titan's Exosphere

    NASA Astrophysics Data System (ADS)

    Sillanpää, I.; Johnson, R. E.

    2012-12-01

    Results from new hybrid simulations for Titan are presented. These simulations take into account the elastic collisions between ions and neutral gas as well as the charge exchange reactions for protons and oxygen ions. We used SRIM [1] cross sections for hydrogen and oxygen ions in nitrogen gas to calculate cross sections for the five ions species used in the HYB-Titan hybrid model [2, see also 3] (H+, H2+, O+, CH4+, and N2+). The N2 density profile used was from INMS measurements over a dozen flybys. In addition, we are studying the effect the charge transfer (CT) reactions for H+ and O+ leading to simple CT, dissociative CT and CT with ionization. All reaction cross sections are energy dependent. Neutral particles are not created, but the total ENA energy is recorded as well as the resulting reaction rates. The results show that both of neutral collisions and CT processes have a significant role in the development and shape of Titan's ionotail and wake structure. Results will be described in detail as well as the implications of the ion-neutral collisions for the heating of Titan's neutral corona and atmospheric escape [4]. References [1] Stopping and Range of Ions in Matter (SRIM), Monte Carlo software by James F. Ziegler (online at http://www.srim.org/ ) [2] Sillanpää, I., Hybrid Modelling of Titan's Interaction with the Magnetosphere of Saturn, Ph.D. dissertation, Finnish Meteorological Contributions, 68, Yliopistopaino, Helsinki, 2008. (online at http://urn.fi/URN:ISBN:978-951-697-660-3) [3] Sillanpää, I., D. Young, F. Crary, M. Thomsen, D. Reisenfeld, J-E.Wahlund, C. Bertucci, E. Kallio, R. Jarvinen, and P. Janhunen, Cassini Plasma Spectro:meter and Hybrid Model Study on Titan's Interaction: Effect of Oxygen Ions, J. Geophys. Res., doi:10.1029/2011JA016443, 2011. [4] Johnson, R.E., O.J. Tucker, M. Michael, E.C. Sittler, H.T. Smith, D.T. Young, and J.H. Waite, Mass Loss Processes in Titan's Upper Atmosphere, Chap. 15 in "Titan from Cassini-Huygens" (eds

  3. Charge-exchange collisions of C 60z+ : a probe of the ion charge distribution

    NASA Astrophysics Data System (ADS)

    Cameron, Douglas B.; Parks, Joel H.

    1997-06-01

    We present Paul trap measurements of charge-exchange collisions of Li, Cs and C 60 with C 60z+ ions ( z = 1-3) at thermal energies. Surprisingly, the measured charge-exchange rates for each neutral species are not proportional to the ion charge z as would be expected for Langevin collisions involving a uniformly charged ion. The relative rates can be reproduced by a model based on a symmetric distribution of point charges that are free to move on the ion surface during the neutral trajectory. Such behavior can be attributed to static and possibly dynamic Jahn-Teller effects in C 60z+ ions.

  4. Spontaneous charged lipid transfer between lipid vesicles.

    PubMed

    Richens, Joanna L; Tyler, Arwen I I; Barriga, Hanna M G; Bramble, Jonathan P; Law, Robert V; Brooks, Nicholas J; Seddon, John M; Ces, Oscar; O'Shea, Paul

    2017-10-03

    An assay to study the spontaneous charged lipid transfer between lipid vesicles is described. A donor/acceptor vesicle system is employed, where neutrally charged acceptor vesicles are fluorescently labelled with the electrostatic membrane probe Fluoresceinphosphatidylethanolamine (FPE). Upon addition of charged donor vesicles, transfer of negatively charged lipid occurs, resulting in a fluorescently detectable change in the membrane potential of the acceptor vesicles. Using this approach we have studied the transfer properties of a range of lipids, varying both the headgroup and the chain length. At the low vesicle concentrations chosen, the transfer follows a first-order process where lipid monomers are transferred presumably through the aqueous solution phase from donor to acceptor vesicle. The rate of transfer decreases with increasing chain length which is consistent with energy models previously reported for lipid monomer vesicle interactions. Our assay improves on existing methods allowing the study of a range of unmodified lipids, continuous monitoring of transfer and simplified experimental procedures.

  5. Surface Assisted Transient Displacement Charge Technique. II. Effect of Gases on Photoinduced Charge Transfer in Self-Assembled Monolayers

    PubMed Central

    Krasnoslobodtsev, Alexey V.; Smirnov, Sergei N.

    2008-01-01

    Surface assisted photoinduced transient displacement charge (SPTDC) technique was used to study charge transfer in self-assembled monolayers of 7-diethylaminocoumarin covalently linked to oxide surface in atmosphere of different gases. The dipole signal was found to be opposite to that in solution and dependent on the nature of gas and its pressure. The results were explained by collision-induced relaxation that impedes uninhibited tilting of molecules onto the surface. Collisions with paramagnetic oxygen induce intersystem crossing to long-lived triplet dipolar states of coumarin with the rate close to the half of that for the collision rate. PMID:16956285

  6. Collisions of Rydberg Atoms with Charged Particles

    NASA Astrophysics Data System (ADS)

    MacAdam, Keith B.

    2000-10-01

    The long range of Coulomb interactions, together with the large size, long radiative lifetimes and high state densities of highly excited Rydberg atoms, results in inelastic collision cross sections of prodigious size -- often large enough to outweigh small number densities in astrophysica and cool laboratory plasmas -- and in other unusual features. This talk will provide: (a) a brief survey of the significant features of collisions between electron or positive ions and state-selected Rydberg atoms and of recent experiments( O. Makarov and K.B. MacAdam, Phys. Rev. A 60), 2131-8 (1999); and K.B. MacAdam, J.C. Day and D.M. Homan, Comm. At. Mol. Phys./Comm. Mod. Phys. 1(2), Part D, 57-73 (1999). to investigate them; (b) an introduction to some of the special techniques that have been developed(J.L. Horn, D.M. Homan, C.S. Hwang, W.L. Fuqua III and K.B. MacAdam, Rev. Sci. Instrum. 69), 4086-93 (1998). for preparation, manipulation and detection of Rydberg atoms; and (c) a glimpse at new directions in Rydberg atom collision research.

  7. On-line LC-MS approach combining collision-induced dissociation (CID), electron-transfer dissociation (ETD), and CID of an isolated charge-reduced species for the trace-level characterization of proteins with post-translational modifications.

    PubMed

    Wu, Shiaw-Lin; Hühmer, Andreas F R; Hao, Zhiqi; Karger, Barry L

    2007-11-01

    We have expanded our recent on-line LC-MS platform for large peptide analysis to combine collision-induced dissociation (CID), electron-transfer dissociation (ETD), and CID of an isolated charge-reduced (CRCID) species derived from ETD to determine sites of phosphorylation and glycosylation modifications, as well as the sequence of large peptide fragments (i.e., 2000-10,000 Da) from complex proteins, such as beta-casein, epidermal growth factor receptor (EGFR), and tissue plasminogen activator (t-PA) at the low femtomol level. The incorporation of an additional CID activation step for a charge-reduced species, isolated from ETD fragment ions, improved ETD fragmentation when precursor ions with high m/z (approximately >1000) were automatically selected for fragmentation. Specifically, the identification of the exact phosphorylation sites was strengthened by the extensive coverage of the peptide sequence with a near-continuous product ion series. The identification of N-linked glycosylation sites in EGFR and an O-linked glycosylation site in t-PA were also improved through the enhanced identification of the peptide backbone sequence of the glycosylated precursors. The new strategy is a good starting survey scan to characterize enzymatic peptide mixtures over a broad range of masses using LC-MS with data-dependent acquisition, as the three activation steps can provide complementary information to each other. In general, large peptides can be extensively characterized by the ETD and CRCID steps, including sites of modification from the generated, near-continuous product ion series, supplemented by the CID-MS2 step. At the same time, small peptides (e.g.,

  8. Apparent Charge Transfer at Semiconductor Surfaces

    SciTech Connect

    Carpinelli, Joseph M.; Stumpf, Roland R.; Weitering, Hanno H.

    1999-05-11

    We investigate the apparent charge transfer between adatoms in the GeXPb[l.XjGe(lll) interface both experimentally and theoretically. Scanning tunneling microscopy and surface core level measurements suggest significant charge transfer from the Ge adatoms to the Pb adatoms. However, first-principles calculations unambiguously find that the total electronic displacement is negligibly small, and that the results of published experiments can be explained as a result of bond rearrangement.

  9. Opposites Attract: Organic Charge Transfer Salts

    ERIC Educational Resources Information Center

    van de Wouw, Heidi L.; Chamorro, Juan; Quintero, Michael; Klausen, Rebekka S.

    2015-01-01

    A laboratory experiment is described that introduces second-year undergraduate organic chemistry students to organic electronic materials. The discovery of metallic conductivity in the charge transfer salt tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ) is a landmark result in the history of organic electronics. The charge transfer…

  10. Opposites Attract: Organic Charge Transfer Salts

    ERIC Educational Resources Information Center

    van de Wouw, Heidi L.; Chamorro, Juan; Quintero, Michael; Klausen, Rebekka S.

    2015-01-01

    A laboratory experiment is described that introduces second-year undergraduate organic chemistry students to organic electronic materials. The discovery of metallic conductivity in the charge transfer salt tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ) is a landmark result in the history of organic electronics. The charge transfer…

  11. Interfacial charge-transfer absorption: semiclassical treatment.

    PubMed

    Creutz, Carol; Brunschwig, Bruce S; Sutin, Norman

    2005-05-26

    Optically induced charge transfer between adsorbed molecules and a metal electrode was predicted by Hush to lead to new electronic absorption features but has not been experimentally observed. However, Gerischer characterized photocurrents arising from such absorption between adsorbed metal atoms and semiconductor conduction bands. Interfacial charge-transfer absorption (IFCTA) provides information concerning the barriers to charge transfer between molecules and the metal/semiconductor and the magnitude of the electronic coupling and could thus provide a powerful tool for understanding interfacial charge-transfer kinetics. Here we provide a framework for modeling and predicting IFCTA spectra. The key feature of optical charge transfer to or from a band of electronic levels (taken to have a constant density of states and electronic coupling element) is that the absorption probability reaches half intensity at lambda + DeltaG(theta), where lambda and DeltaG(theta) are the reorganization energy and free-energy gap for the optical charge transfer, attains >90% intensity at lambda + DeltaG(theta) + 0.9 square root[4lambdak(B)T], and remains essentially constant until the top (bottom) level of the band is attained. However, when the electronic coupling and transition moment are assumed to be independent of photon energy (Mulliken-Hush model), a peaked, highly asymmetric absorption profile is predicted. We conclude that, in general, the electronic coupling between molecular adsorbates and the metal levels is so small that absorption is not detectable, whereas for semiconductors there may be intense features involving coupling to surface states.

  12. Charge transfer in algebraic quantum field theory

    NASA Astrophysics Data System (ADS)

    Wright, Jill Dianne

    We discuss aspects of the algebraic structure of quantum field theory. We take the view that the superselection structure of a theory should be determinable from the vacuum representation of the observable algebra, and physical properties of the charge. Hence one determines the nature of the charge transfer operations: the automorphisms of the observable algebra corresponding to the movement of charge along space-time paths. New superselection sectors are obtained from the vacuum sector by an automorphism which is a limit of charge transfer operations along paths with an endpoint tending to spacelike infinity. Roberts has shown that for a gauge theory of the first kind, the charge transfer operations for a given charge form a certain kind of 1-cocycle over Minkowski space. The local 1-cohomology group of their equivalence classes corresponds to the superselection structure. The exact definition of the cohomology group depends on the properties of the charge. Using displaced Fock representations of free fields, we develop model field theories which illustrate this structure. The cohomological classification of displaced Fock representations has been elucidated by Araki. For more general representations, explicit determination of the cohomology group is a hard problem. Using our models, we can illustrate ways in which fields with reasonable physical properties depart fromthe abovementioned structure. In 1+1 dimensions, we use the Streater-Wilde model to illustrate explicitly the representation-dependence of the cohomology structure, and the direction-dependence of the limiting charge transfer operation. The cohomology structure may also be representation-dependent in higher-dimensional theories without strict localization of charge, for example the electromagnetic field. The algebraic structure of the electromagnetic field has many other special features, which we discuss in relation to the concept of charge transfer. We also give some indication of the modifications

  13. Charge-dependent anisotropic flow in Cu + Au collisions

    NASA Astrophysics Data System (ADS)

    Niida, Takafumi

    2016-12-01

    We present the first measurements of charge-dependent directed flow in Cu+Au collisions at √{sNN} = 200 GeV. The directed flow has been measured as functions of the transverse momentum and pseudorapidity with the STAR detector. The results show a small but finite difference between positively and negatively charged particles. The difference is qualitatively explained by the patron-hadron-string-dynamics (PHSD) model including the effect of the electric field, but much smaller than the model calculation, which indicates only a small fraction of all final state quarks are created within the lifetime of the initial electric field. Higher-order azimuthal anisotropic flow is also presented up to the fourth-order for unidentified charged particles and up to the third-order for identified charged particles (π, K, and p). For unidentified particles, the results are reasonably described by the event-by-event viscous hydrodynamic model with η / s = 0.08 - 0.16. The trends observed for identified particles in Cu+Au collisions are similar to those observed in symmetric (Au+Au) collisions.

  14. Experimental and theoretical studies of charge transfer and deuterium ion transfer between D2O+ and C2H4

    NASA Astrophysics Data System (ADS)

    Liu, Li; Cai, Xiaohui; Li, Yue; Richards O'Grady, Elizabeth; Farrar, James M.

    2004-08-01

    The charge transfer and deuterium ion transfer reactions between D2O+ and C2H4 have been studied using the crossed beam technique at relative collision energies below one electron volt and by density functional theory (DFT) calculations. Both direct and rearrangement charge transfer processes are observed, forming C2H4+ and C2H3D+, respectively. Independent of collision energy, deuterium ion transfer accounts for approximately 20% of the reactive collisions. Between 22 and 36 % of charge transfer collisions occur with rearrangement. In both charge transfer processes, comparison of the internal energy distributions of products with the photoelectron spectrum of C2H4 shows that Franck-Condon factors determine energy disposal in these channels. DFT calculations provide evidence for transient intermediates that undergo H/D migration with rearrangement, but with minimal modification of the product energy distributions determined by long range electron transfer. The cross section for charge transfer with rearrangement is approximately 103 larger than predicted from the Rice-Ramsperger-Kassel-Marcus isomerization rate in transient complexes, suggesting a nonstatistical mechanism for H/D exchange. DFT calculations suggest that reactive trajectories for deuterium ion transfer follow a pathway in which a deuterium atom from D2O+ approaches the π-cloud of ethylene along the perpendicular bisector of the C-C bond. The product kinetic energy distributions exhibit structure consistent with vibrational motion of the D-atom in the bridged C2H4D+ product perpendicular to the C-C bond. The reaction quantitatively transforms the reaction exothermicity into internal excitation of the products, consistent with mixed energy release in which the deuterium ion is transferred in a configuration in which both the breaking and the forming bonds are extended.

  15. Charge transfer and charge transport on the double helix

    NASA Astrophysics Data System (ADS)

    Armitage, N. P.; Briman, M.; Grüner, G.

    2004-01-01

    We present a short review of various experiments that measure charge transfer and charge transport in DNA. Some general comments are made on the possible connection between various chemistry-style charge transfer experiments that probe fluorescence quenching and remote oxidative damage and physics-style measurements that measure transport properties as defined typically in the solid-state. We then describe measurements performed by our group on the millimeter wave response of DNA. By measuring over a wide range of humidity conditions and comparing the response of single strand DNA and double strand DNA, we show that the appreciable AC conductivity of DNA is not due to photon assisted hopping between localized states, but instead due to dissipation from dipole motion in the surrounding water helix.

  16. Universal characteristics of transverse momentum transfer in intermediate energy heavy ion collisions

    NASA Technical Reports Server (NTRS)

    Khan, F.; Townsend, L. W.; Tripathi, R. K.; Cucinotta, F. A.

    1993-01-01

    A microscopic optical model formalism for estimating momentum transfer in intermediate energy heavy ion collisions predicts universal behavior of the transverse component. In particular, for symmetric systems heavier than niobium, it appears that values of P(perpendicular)/A are independent of the mass and charge of the colliding nuclei and vary only with impact parameter and incident beam energy. This suggests that momentum transfer per nucleon saturates to some limiting value with increasing mass.

  17. Universal characteristics of transverse momentum transfer in intermediate energy heavy ion collisions

    NASA Technical Reports Server (NTRS)

    Khan, F.; Townsend, L. W.; Tripathi, R. K.; Cucinotta, F. A.

    1993-01-01

    A microscopic optical model formalism for estimating momentum transfer in intermediate energy heavy ion collisions predicts universal behavior of the transverse component. In particular, for symmetric systems heavier than niobium, it appears that values of P(perpendicular)/A are independent of the mass and charge of the colliding nuclei and vary only with impact parameter and incident beam energy. This suggests that momentum transfer per nucleon saturates to some limiting value with increasing mass.

  18. Charge transfer in iridate-manganite superlattices

    DOE PAGES

    Okamoto, Satoshi; Nichols, John; Sohn, Changhee; ...

    2017-03-03

    Charge transfer in superlattices consisting of SrIrOmore » $$_3$$ and SrMnO$$_3$$ is investigated using density functional theory. Despite the nearly identical work function and non-polar interfaces between SrIrO$$_3$$ and SrMnO$$_3$$, rather large charge transfer was experimentally reported between them. Our results provide a qualitative understanding to such experimental reports. We further develop a microscopic model that captures the mechanism behind this phenomenon. This leads to unique strain dependence of such charge transfer in iridate-manganite superlattices. The predicted behavior is consistently verified by experiment. Lastly, our work thus demonstrates a new route to control electronic states in non-polar oxide heterostructures.« less

  19. Charge Transfer in Iridate-Manganite Superlattices.

    PubMed

    Okamoto, Satoshi; Nichols, John; Sohn, Changhee; Kim, So Yeun; Noh, Tae Won; Lee, Ho Nyung

    2017-03-07

    Charge transfer in superlattices consisting of SrIrO3 and SrMnO3 is investigated using density functional theory. Despite the nearly identical work function and nonpolar interfaces between SrIrO3 and SrMnO3, rather large charge transfer was experimentally reported at the interface between them. Here, we report a microscopic model that captures the mechanism behind this phenomenon, providing a qualitative understanding of the experimental observation. This leads to unique strain dependence of such charge transfer in iridate-manganite superlattices. The predicted behavior is consistently verified by experiment with soft X-ray and optical spectroscopy. Our work thus demonstrates a new route to control electronic states in nonpolar oxide heterostructures.

  20. Ultrafast charge transfer and atomic orbital polarization

    SciTech Connect

    Deppe, M.; Foehlisch, A.; Hennies, F.; Nagasono, M.; Beye, M.; Sanchez-Portal, D.; Echenique, P. M.; Wurth, W.

    2007-11-07

    The role of orbital polarization for ultrafast charge transfer between an atomic adsorbate and a substrate is explored. Core hole clock spectroscopy with linearly polarized x-ray radiation allows to selectively excite adsorbate resonance states with defined spatial orientation relative to the substrate surface. For c(4x2)S/Ru(0001) the charge transfer times between the sulfur 2s{sup -1}3p*{sup +1} antibonding resonance and the ruthenium substrate have been studied, with the 2s electron excited into the 3p{sub perpendicular}* state along the surface normal and the 3p{sub parallel}* state in the surface plane. The charge transfer times are determined as 0.18{+-}0.07 and 0.84{+-}0.23 fs, respectively. This variation is the direct consequence of the different adsorbate-substrate orbital overlap.

  1. Charge transfer complexes of certain aromatic polyimides

    NASA Technical Reports Server (NTRS)

    Gordina, T. A.; Kotov, B. V.; Kolninov, O. V.; Pravednikov, A. N.

    1985-01-01

    By electron spectroscopy it was shown that aromatic polyimides containing electron-donor residues of diamines -C6H4-X-C6H-(X=NH, NCH3, NC6H5, O, S, and CH2) form charge transfer complexes with low-molecular-weight electron acceptors. Based on the data obtained, the hypothesis was advanced that the coloration of the polyimides per se is due to the formation of charge transfer complexes between the electron-acceptor imide fragments and the electron-donor residues of the diamines.

  2. Spacecraft Charging in Geostationary Transfer Orbit

    NASA Technical Reports Server (NTRS)

    Parker, Linda Neergaard; Minow, Joseph I.

    2014-01-01

    The 700 km x 5.8 Re orbit of the two Van Allen Probes spacecraft provide a unique opportunity to investigate spacecraft charging in geostationary transfer orbits. We use records from the Helium Oxygen Proton Electron (HOPE) plasma spectrometer to identify candidate surface charging events based on the "ion line" charging signature in the ion records. We summarize the energetic particle environment and the conditions necessary for charging to occur in this environment. We discuss the altitude, duration, and magnitude of events observed in the Van Allen Probes from the beginning of the mission to present time. In addition, we explore what information the dual satellites provide on the spatial and temporal variations in the charging environments.

  3. Spacecraft Charging in Geostationary Transfer Orbit

    NASA Astrophysics Data System (ADS)

    Parker, L. N.; Minow, J. I.

    2014-12-01

    The 700 km x 5.8 Re orbit of the two Van Allen Probes spacecraft provide a unique opportunity to investigate surface charging in geostationary transfer orbits. We use records from the Helium Oxygen Proton Electron (HOPE) plasma spectrometer to identify candidate surface charging events based on the "ion line" charging signature in the ion records. We summarize the energetic particle environment and the conditions necessary for charging to occur in this environment. We discuss the altitude, duration, and magnitude of events observed in the Van Allen Probes from the beginning of the mission to present time. In addition, we explore what information the dual satellites provide on the spatial and temporal variations in the charging environments.

  4. Effect of collisions on dust particle charging via particle-in-cell Monte-Carlo collision

    NASA Astrophysics Data System (ADS)

    Rovagnati, B.; Davoudabadi, M.; Lapenta, G.; Mashayek, F.

    2007-10-01

    In this paper, the effect of collisions on the charging and shielding of a single dust particle immersed in an infinite plasma is studied. A Monte-Carlo collision (MCC) algorithm is implemented in the particle-in-cell DEMOCRITUS code to account for the collisional phenomena which are typical of dusty plasmas in plasma processing, namely, electron-neutral elastic scattering, ion-neutral elastic scattering, and ion-neutral charge exchange. Both small and large dust particle radii, as compared to the characteristic Debye lengths, are considered. The trends of the steady-state dust particle potential at increasing collisionality are presented and discussed. The ions and electron energy distributions at various locations and at increasing collisionality in the case of large particle radius are shown and compared to their local Maxwellians. The ion-neutral charge-exchange collision is found to be by far the most important collisional phenomenon. For small particle radius, collisional effects are found to be important also at low level of collisionality, as more ions are collected by the dust particle due to the destruction of trapped ion orbits. For large particle radius, the major collisional effect is observed to take place in proximity of the presheath. Finally, the species energy distribution functions are found to approach their local Maxwellians at increasing collisionality.

  5. Radiative charge transfer in He(+) + H2 collisions in the milli- to nano-electron-volt range: a theoretical study within state-to-state and optical potential approaches.

    PubMed

    Mrugała, Felicja; Kraemer, Wolfgang P

    2013-03-14

    The paper presents a theoretical study of the low-energy dynamics of the radiative charge transfer (RCT) reaction He(+)((2)S)+H2(X(1)Σg (+))→He((1)S)+H2 (+)(X(2)Σg (+))+hν extending our previous studies on radiative association of HeH2 (+) [F. Mrugała, V. Špirko, and W. P. Kraemer, J. Chem. Phys. 118, 10547 (2003); F. Mrugała and W. P. Kraemer, ibid. 122, 224321 (2005)]. The calculations account for the vibrational and rotational motions of the H2/H2 (+) diatomics and for the atom-diatom complex formation in the reactant and the product channels of the RCT reaction. Continuum states of He(+) + H2(v = 0, j = 0) in the collision energy range ~10(-7)-18.6 meV and all quasi-bound states of the He(+) - H2(para; v = 0) complex formed in this range are taken into account. Close-coupling calculations are performed to determine rates of radiative transitions from these states to the continuum and quasi-bound states of the He + H2 (+) system in the energy range extending up to ~0.16 eV above the opening of the HeH(+) + H arrangement channel. From the detailed state-to-state calculated characteristics global functions of the RCT reaction, such as cross-section σ(E), emission intensity I(ν, T), and rate constant k(T) are derived, and are presented together with their counterparts for the radiative association (RA) reaction He(+)((2)S) + H2(X(1)Σg (+))→ HeH2 (+)(X(2)A('))+hν. The rate constant k(RCT) is approximately 20 times larger than k(RA) at the considered temperatures, 0.1 μK-50 K. Formation of rotational Feshbach resonances in the reactant channel plays an important role in both reactions. Transitions mediated by these resonances contribute more than 70% to the respective rates. An extension of the one-dimensional optical potential model is developed to allow inclusion of all three vibrational modes in the atom-diatom system. This three-dimensional optical potential model is used to check to which extent the state-to-state RCT rate constant is influenced

  6. Radiative charge transfer in He{sup +}+ H{sub 2} collisions in the milli- to nano-electron-volt range: A theoretical study within state-to-state and optical potential approaches

    SciTech Connect

    Mrugala, Felicja; Kraemer, Wolfgang P.

    2013-03-14

    The paper presents a theoretical study of the low-energy dynamics of the radiative charge transfer (RCT) reaction He{sup +}({sup 2}S)+H{sub 2}(X{sup 1}{Sigma}{sub g}{sup +}){yields}He({sup 1}S)+H{sub 2}{sup +}(X{sup 2}{Sigma}{sub g}{sup +})+h{nu} extending our previous studies on radiative association of HeH{sub 2}{sup +} [F. Mrugala, V. Spirko, and W. P. Kraemer, J. Chem. Phys. 118, 10547 (2003); F. Mrugala and W. P. Kraemer, ibid. 122, 224321 (2005)]. The calculations account for the vibrational and rotational motions of the H{sub 2}/H{sub 2}{sup +} diatomics and for the atom-diatom complex formation in the reactant and the product channels of the RCT reaction. Continuum states of He{sup +}+ H{sub 2}(v= 0, j= 0) in the collision energy range {approx}10{sup -7}-18.6 meV and all quasi-bound states of the He{sup +}- H{sub 2}(para;v= 0) complex formed in this range are taken into account. Close-coupling calculations are performed to determine rates of radiative transitions from these states to the continuum and quasi-bound states of the He +H{sub 2}{sup +} system in the energy range extending up to {approx}0.16 eV above the opening of the HeH{sup +}+ H arrangement channel. From the detailed state-to-state calculated characteristics global functions of the RCT reaction, such as cross-section {sigma}(E), emission intensity I({nu}, T), and rate constant k(T) are derived, and are presented together with their counterparts for the radiative association (RA) reaction He{sup +}({sup 2}S) +H{sub 2}(X{sup 1}{Sigma}{sub g}{sup +}){yields} HeH{sub 2}{sup +}(X{sup 2}A{sup Prime })+h{nu}. The rate constant k{sup RCT} is approximately 20 times larger than k{sup RA} at the considered temperatures, 0.1 {mu}K-50 K. Formation of rotational Feshbach resonances in the reactant channel plays an important role in both reactions. Transitions mediated by these resonances contribute more than 70% to the respective rates. An extension of the one-dimensional optical potential model is

  7. Radiative charge transfer in He+ + H2 collisions in the milli- to nano-electron-volt range: A theoretical study within state-to-state and optical potential approaches

    NASA Astrophysics Data System (ADS)

    Mrugała, Felicja; Kraemer, Wolfgang P.

    2013-03-01

    The paper presents a theoretical study of the low-energy dynamics of the radiative charge transfer (RCT) reaction He+(^{2}S) + H2(X ^{1}Σ +g) rArr He(^{1}S) + H2+(X 2Σ +g)+hν extending our previous studies on radiative association of HeH2+ [F. Mrugała, V. Špirko, and W. P. Kraemer, J. Chem. Phys. 118, 10547 (2003), 10.1063/1.1573184; F. Mrugała and W. P. Kraemer, J. Chem. Phys. 122, 224321 (2005), 10.1063/1.1924453]. The calculations account for the vibrational and rotational motions of the H2/H_2^+ diatomics and for the atom-diatom complex formation in the reactant and the product channels of the RCT reaction. Continuum states of He+ + H2(v = 0, j = 0) in the collision energy range ˜10-7-18.6 meV and all quasi-bound states of the He+ - H2(para; v = 0) complex formed in this range are taken into account. Close-coupling calculations are performed to determine rates of radiative transitions from these states to the continuum and quasi-bound states of the He + H+2 system in the energy range extending up to ˜0.16 eV above the opening of the HeH+ + H arrangement channel. From the detailed state-to-state calculated characteristics global functions of the RCT reaction, such as cross-section σ(E), emission intensity I(ν, T), and rate constant k(T) are derived, and are presented together with their counterparts for the radiative association (RA) reaction He+(2S) + H_2(X ^{1}Σ +g) rArr HeH2+(X ^{2}A^' })+ hν. The rate constant kRCT is approximately 20 times larger than kRA at the considered temperatures, 0.1 μK-50 K. Formation of rotational Feshbach resonances in the reactant channel plays an important role in both reactions. Transitions mediated by these resonances contribute more than 70% to the respective rates. An extension of the one-dimensional optical potential model is developed to allow inclusion of all three vibrational modes in the atom-diatom system. This three-dimensional optical potential model is used to check to which extent the state

  8. Multinucleon transfer in central collisions of 238U+238U

    NASA Astrophysics Data System (ADS)

    Ayik, S.; Yilmaz, B.; Yilmaz, O.; Umar, A. S.; Turan, G.

    2017-08-01

    Quantal diffusion mechanism of nucleon exchange is studied in the central collisions of 238U+238U in the framework of the stochastic mean-field (SMF) approach. For bombarding energies considered in this work, the dinuclear structure is maintained during the collision. Hence, it is possible to describe nucleon exchange as a diffusion process for mass and charge asymmetry. Quantal neutron and proton diffusion coefficients, including memory effects, are extracted from the SMF approach and the primary fragment distributions are calculated.

  9. Energy Gain in Collisions of Highly Charged Ions with C_60

    NASA Astrophysics Data System (ADS)

    Thumm, Uwe; Bárány, Anders; Cederquist, Henrik

    1997-04-01

    Within the dynamical classical over--barrier model for charge transfer in soft ion--cluster collisions [1], we have simulated [2] the kinetic energy gain Q of 3.3 q keV Ar^q+ ions in collisions with neutral C_60 targets. Our semi--classical theory allows for the calculation of Q in two different ways, either as difference of electronic binding energies before and after the collision or by integrating the dynamically changing force between the collision partners along the trajectory. A comparison between the two ways provides an intrinsic test of the model calculation. Comparison with recent experimental data [3] shows good agreement in the main features of the energy gain spectra and facilitates their interpretation in terms of the number and final states of transferred electrons. [1] U. Thumm, J. Phys. B27 3515 (1994); Phys. Rev. A55 (Jan.1997). [2] U. Thumm, A. Bárány and H. Cederquist, to be published. [3] N. Selberg et al., Phys. Rev. A 53, 874 (1996). description U.T. is supported by the Division of Chemical Sciences, Basis Energy Sciences, Office of Energy Research, U.S. Department of Energy.

  10. Biological charge transfer via flickering resonance

    PubMed Central

    Zhang, Yuqi; Liu, Chaoren; Balaeff, Alexander; Skourtis, Spiros S.; Beratan, David N.

    2014-01-01

    Biological electron-transfer (ET) reactions are typically described in the framework of coherent two-state electron tunneling or multistep hopping. However, these ET reactions may involve multiple redox cofactors in van der Waals contact with each other and with vibronic broadenings on the same scale as the energy gaps among the species. In this regime, fluctuations of the molecular structures and of the medium can produce transient energy level matching among multiple electronic states. This transient degeneracy, or flickering electronic resonance among states, is found to support coherent (ballistic) charge transfer. Importantly, ET rates arising from a flickering resonance (FR) mechanism will decay exponentially with distance because the probability of energy matching multiple states is multiplicative. The distance dependence of FR transport thus mimics the exponential decay that is usually associated with electron tunneling, although FR transport involves real carrier population on the bridge and is not a tunneling phenomenon. Likely candidates for FR transport are macromolecules with ET groups in van der Waals contact: DNA, bacterial nanowires, multiheme proteins, strongly coupled porphyrin arrays, and proteins with closely packed redox-active residues. The theory developed here is used to analyze DNA charge-transfer kinetics, and we find that charge-transfer distances up to three to four bases may be accounted for with this mechanism. Thus, the observed rapid (exponential) distance dependence of DNA ET rates over distances of ≲15 Å does not necessarily prove a tunneling mechanism. PMID:24965367

  11. Charge transfer states of the reaction center

    NASA Astrophysics Data System (ADS)

    Scherer, P. O. J.; Fischer, Sighart F.

    1998-08-01

    The energies of the low lying charge transfer states relevant for the photoinduced charge separation are analysed for Rps. viridis. The main prosthetic groups consisting of the special pair dimer P, the two adjacent monomers BL, and BM and the two pheophytines HL and HM are treated together with the surrounding residues quantum mechanically within a supermolecule approach on the basis of an INDO approximation. High order configuration interactions are incorporated to account for polarization effects and long range electrostatic effects of the protein are considered. The results are analyzed with regard to symmetry breaking effects between the L- and the M-branch. Internal reorganization effects within the dimer are also discussed.

  12. Correlated charge-changing ion-atom collisions. Progress report, March 16, 1991--March 15, 1992

    SciTech Connect

    Tanis, J.A.

    1992-04-01

    This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant DE-FG02-87ER13778 from March 16, 1991 through March 15, 1992. This work involves the experimental investigation of fundamental atomic processes in collisions of charged projectiles with neutral targets or electrons, with particular emphasis on two-electron interactions and electron correlation effects. Processes involving combinations of excitation, ionization, and charge transfer are investigated utilizing coincidence techniques in which projectiles charge-changing events are associated with x-ray emission, target recoil ions, or electron emission. New results have been obtained for studies involving (1) resonant recombination of atomic ions, (2) double ionization of helium, and (3) continuum electron emission. Experiments were conducted using accelerators at the Lawrence Berkeley Laboratory, Argonne National Laboratory, Michigan State University, Western Michigan University, and the Institute of Nuclear Research, Debrecen, Hungary. Brief summaries of work completed and work in progress are given in this report.

  13. Elastic, excitation, ionization and charge transfer cross sections of current interest in fusion energy research

    SciTech Connect

    Schultz, D.R.; Krstic, P.S.

    1996-12-31

    Due to the present interest in modeling and diagnosing the edge and divertor plasma regions in magnetically confined fusion devices, we have sought to provide new calculations regarding the elastic, excitation, ionization, and charge transfer cross sections in collisions among relevant ions, neutrals, and isotopes in the low- to intermediate-energy regime. We summarize here some of our recent work.

  14. Ab initio molecular treatment for charge transfer by P{sup 3+} ions on hydrogen and helium

    SciTech Connect

    Moussa, A.; Zaidi, A.; Lahmar, S.; Bacchus-Montabonel, M.-C.

    2010-02-15

    A theoretical treatment of charge-transfer processes induced by collision of phosphorus P{sup 3+}(3s{sup 2}){sup 1}S ions on atomic hydrogen and helium has been carried out using ab initio potential-energy curves and couplings at the multireference configuration interaction level of theory. The cross sections calculated by means of semiclassical collision methods show the existence of a significant charge transfer in the 0.1-700-keV laboratory energy range. Radial and rotational coupling interactions were analyzed for both collision systems.

  15. Noncovalent functionalization and charge transfer in antimonene.

    PubMed

    Abellán, Gonzalo; Ares, Pablo; Wild, Stefan; Nuin, Edurne; Neiss, Christian; Rodriguez-San Miguel, David; Segovia, Pilar; Gibaja, Carlos; Michel, Enrique G; Görling, Andreas; Hauke, Frank; Gómez-Herrero, Julio; Hirsch, Andreas; Zamora, Félix

    2017-09-25

    Antimonene, a novel group-15 2D material, is functionalized with a tailor-made perylene bisimide through strong van-der-Waals interactions. The functionalization process leads to a dramatic quenching of the perylene fluorescence, which surpasses that observed for graphene or black phosphorus, allowing a straightforward characterization of the flakes by scanning Raman microscopy. Furthermore, scanning photoelectron microscopy studies and theoretical calculations reveal a remarkable charge transfer behavior, being twice that of black phosphorus. Moreover, the excellent stability under environmental conditions of pristine antimonene has been tackled, pointing towards the spontaneous formation of a sub-nanometric oxide passivation layer. DFT calculations revealed that the noncovalent functionalization of antimonene results in a charge transfer band gap of 1.1 eV. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Applications of Charge Transfer Devices in Spectroscopy.

    DTIC Science & Technology

    1988-02-04

    and the decrease in cost of computer memory necessary for processing large image data arrays. The sensitivity, spatial resolution, wide spectral...mately one microsecond per transfer for most CCDs. Because the clocking of the parallel phases of the CCD is under computer control, linear and non-linear...destructive readout of charge allows the computer system to choose the optimum integration period for each spectral line. Intense lines are digitized early in

  17. Charge transfer in the living matrix.

    PubMed

    Oschman, James L

    2009-07-01

    The living matrix is defined as the continuous molecular fabric of the organism, consisting of fascia, the other connective tissues, extracellular matrices, integrins, cytoskeletons, nuclear matrices and DNA. The extracellular, cellular and nuclear biopolymers or ground substances constitute a body-wide reservoir of charge that can maintain electrical homeostasis and "inflammatory preparedness" throughout the organism. Recent research has emphasized the significance of charge transfer in relation to the scavenging or neutralization of free radicals delivered to sites of injury during and after the oxidative burst. Evidence comes from studies of the role of electrons in mitigating the consequences of inflammation when living systems are connected to the earth (earthing). The phenomenon helps explain how bodywork and movement therapies can facilitate the resolution of acute or chronic injuries, and how patients with inflammatory conditions may "deplete" a therapist during hands-on treatments. It is suggested that barefoot contact with the earth as well as hands-on and hands-off therapies facilitate healing by stimulating the migration of charges into sites of acute or chronic inflammation. One hypothesis to explain the effects of earthing is that charges from the ground substance reservoir prevent "collateral damage" to healthy tissues in the vicinity of an injury. A second hypothesis is that earthing allows electrons to replenish charge in the ground substance reservoirs, making electrons available throughout the body.

  18. Energy dependence of multi-electron transfer reactions between slow multi-charged ions and neutral atoms

    NASA Astrophysics Data System (ADS)

    Sonoda, Toshinori; Kamemoto, Shinsuke; Hirayama, Takato; Koizumi, Tetsuo

    2009-11-01

    Using an ion-spectroscopy method, charge transfer reactions between slow multi-charged Arq+(q=3~5) ions and neutral Ar atoms have been studied in the laboratory collision energies from 3.1 to 4.6keV. The energy gain spectra of single-electron capture processes show no strong energy dependence. On the contrary, those of double-electron capture processes depend on the collision energy.

  19. Comprehensive comparison of collision induced dissociation and electron transfer dissociation.

    PubMed

    Molina, Henrik; Matthiesen, Rune; Kandasamy, Kumaran; Pandey, Akhilesh

    2008-07-01

    Electron transfer dissociation (ETD) is a recently introduced mass spectrometric technique which has proven to be an excellent tool for the elucidation of labile post-translational modifications such as phosphorylation and O-GlcNAcylation of serine and threonine residues. However, unlike collision induced dissociation (CID), which has been studied for decades, the intricacies of ETD-based fragmentation have not yet been firmly established or systematically addressed. In this analysis, we have systematically compared the CID and ETD fragmentation patterns for the large majority of the peptides that do not contain such labile modifications. Using a standard 48 protein mix, we were able to measure false-positive rates for the experiments and also assess a large number of peptides for a detailed comparison of CID and ETD fragmentation pattern. Analysis of approximately 19,000 peptides derived from both standard proteins and complex protein samples revealed that (i) CID identified 50% more peptides than ETD; (ii) ETD resulted in approximately 20% increase in amino acid sequence coverage over CID; and (iii) combining CID and ETD fragmentation increased the sequence coverage for an average tryptic peptide to 92%. Interestingly, our analysis revealed that nearly 60% of all ETD-identified peptides carried two positive charges, which is in sharp contrast to what has been generally accepted. We also present a novel strategy for automatic validation of peptide assignments based on identification of a peptide by consecutive CID and ETD fragmentation in an alternating mode.

  20. Charge transfer processes in SiH 2+

    NASA Astrophysics Data System (ADS)

    Chambaud, G.; Bliman, S.; Rosmus, P.; Senekowitsch, J.; ONeil, S.

    1995-05-01

    For SiH 2+ potential energy functions for the doublet and quartet electronic states resulting from the Si 2+y( 1S, 3P) + H( 2S) and Si +( 2P, 4P, 2D) + H + asymptotes have been calculated using CASSCF-CI electronic wavefunctions. At low collision energies the charge transfer reactions Si 2+ + H → Si + + H + are found to proceed via avoided crossing regions on the potential energy functions around RSiH = 10 bohr for the doublet states and around RSiH = 8 bohr for the quartet states. No such pathway connecting the metastable Si 2+( 3P) ion with the electronic ground state of the Si + ion was found. Spectroscopic constants and radiative transition probabilities for several low lying doublet and quartet states of SiH 2+ have been evaluated.

  1. Electron transfer in proton-hydrogen collisions under dense quantum plasma

    NASA Astrophysics Data System (ADS)

    Nayek, Sujay; Bhattacharya, Arka; Kamali, Mohd Zahurin Mohamed; Ghoshal, Arijit; Ratnavelu, Kurunathan

    2017-09-01

    The effects of dense quantum plasma on 1 s → nlm charge transfer, for arbitrary n,l,m, in proton-hydrogen collisions have been studied by employing a distorted wave approximation. The interactions among the charged particles in the plasma have been represented by modified Debye-Huckel potentials. A detailed study has been made to explore the effects of background plasma environment on the differential and total cross sections for electron capture into different angular momentum states for the incident energy in the range 10-1000 keV. For the unscreened case, our results agree well with some of the most accurate results available in the literature.

  2. Production of heavy isotopes in transfer reactions by collisions of {sup 238}U+{sup 238}U

    SciTech Connect

    Feng Zhaoqing; Jin Genming; Li Junqing

    2009-12-15

    The dynamics of transfer reactions in collisions of two very heavy nuclei {sup 238}U+{sup 238}U is studied within the dinuclear system (DNS) model. Collisions of two actinide nuclei form a superheavy composite system during a very short time, in which a large number of charge and mass transfers may take place. Such reactions have been investigated experimentally as an alternative way for the production of heavy and superheavy nuclei. The role of collision orientation in the production cross sections of heavy nuclides is analyzed systematically. Calculations show that the cross sections decrease drastically as the charged numbers of the heavy fragments increase. The transfer mechanism is favorable to synthesizing heavy neutron-rich isotopes, such as nuclei around the subclosure at N=162 from No (Z=102) to Db (Z=105)

  3. Multiple scattering and charged-particle - hydrogen-atom collisions

    NASA Technical Reports Server (NTRS)

    Franco, V.; Thomas, B. K.

    1979-01-01

    Glauber-approximation scattering amplitudes for charged-particle - hydrogen-atom elastic and inelastic collisions are derived directly in terms of the known particle-electron and particle-proton Coulomb scattering amplitudes and the known hydrogen-atom form factors. It is shown that the particle-hydrogen amplitude contains no single-scattering term. The double-scattering term is obtained as a two-dimensional integral in momentum space. It is demonstrated how the result can be used as the starting point for an alternative and relatively simple derivation, in closed form, of the Glauber particle-hydrogen scattering amplitude for transitions from the ground state to an arbitrary (nlm) state.

  4. Coronene-based charge-transfer complexes

    NASA Astrophysics Data System (ADS)

    Yoshida, Yukihiro; Isomura, Kazuhide; Kumagai, Yoshihide; Maesato, Mitsuhiko; Kishida, Hideo; Mizuno, Motohiro; Saito, Gunzi

    2016-08-01

    Recent developments in the arena of charge-transfer complexes composed of the D 6h-symmetric polycyclic aromatic hydrocarbon, coronene, are highlighted with emphasis on the structural and physical properties of these complexes. Because of the dual electron-donating and -accepting abilities of coronene, this group involves structurally-defined four cation salts and three anion salts. The Jahn-Teller distortions and in-plane motion of coronene molecules in the solids, both of which are closely associated with the high symmetry of coronene molecules, and syntheses of clathrate-type complexes are also presented.

  5. Pattern classification using charge transfer devices

    NASA Technical Reports Server (NTRS)

    1980-01-01

    The feasibility of using charge transfer devices in the classification of multispectral imagery was investigated by evaluating particular devices to determine their suitability in matrix multiplication subsystem of a pattern classifier and by designing a protype of such a system. Particular attention was given to analog-analog correlator devices which consist of two tapped delay lines, chip multipliers, and a summed output. The design for the classifier and a printed circuit layout for the analog boards were completed and the boards were fabricated. A test j:g for the board was built and checkout was begun.

  6. Charge exchange collisions of slow C6 + with atomic and molecular H

    NASA Astrophysics Data System (ADS)

    Saha, Bidhan C.; Guevara, Nicolais L.; Sabin, John R.; Deumens, Erik; Öhrn, Yngve

    2016-04-01

    Charge exchange in collisions of C6+ ions with H and H2 is investigated theoretically at projectile energies 0.1 < E < 10 keV/amu, using electron nuclear dynamics (END) - a semi-classical approximation which not only includes electron translation factors for avoiding spurious couplings but also employs full dynamical trajectories to treat nuclear motions. Both the total and partial cross sections are reported for the collision of C6+ ions with atomic and molecular hydrogen. A comparison with other theoretical and experimental results shows, in general good agreement except at very low energy, considered here. For H2, the one- and two-electron charge exchange cross sections are calculated and compared with other theoretical and experimental results. Small but non-negligible isotope effects are found at the lowest energy studied in the charge transfer of C6+ with H. In low energy region, it is observed that H2 has larger isotope effects than H atom due to the polarizability effect which is larger than the mass effect.

  7. Charge transfer in TATB and HMX under extreme conditions.

    PubMed

    Zhang, Chaoyang; Ma, Yu; Jiang, Daojian

    2012-11-01

    Charge transfer is usually accompanied by structural changes in materials under different conditions. However, the charge transfer in energetic materials that are subjected to extreme conditions has seldom been explored by researchers. In the work described here, the charge transfer in single molecules and unit cells of the explosives TATB and HMX under high temperatures and high pressures was investigated by performing static and dynamic calculations using three DFT methods, including the PWC functional of LDA, and the BLYP and PBE functionals of GGA. The results showed that negative charge is transferred from the nitro groups of molecular or crystalline TATB and HMX when they are heated. All DFT calculations for the compressed TATB unit cell indicate that, generally, negative charge transfer occurs to its nitro groups as the compression increases. PWC and PBE calculations for crystalline HMX show that negative charge is first transferred to the nitro groups but, as the compression increases, the negative charge is transferred from the nitro groups. However, the BLYP calculations indicated that there was gradual negative charge transfer to the nitro groups of HMX, similar to the case for TATB. The unrelaxed state of the uniformly compressed TATB causes negative charge to be transferred from its nitro groups, in contrast to what is seen in the relaxed state. Charge transfer in TATB is predicted to occur much more easily than in HMX.

  8. An activation-collision mechanism for cholesterol transfer between membranes.

    PubMed

    Steck, T L; Kezdy, F J; Lange, Y

    1988-09-15

    We report the results of experiments which show that cholesterol transfer between membranes cannot proceed by aqueous diffusion, as widely held, but must involve a more complex mechanism. (a) The rate of transfer of [3H]cholesterol from red blood cells was found to vary inversely with the size of the acceptor particle (ghosts, vesicles of ghosts, liposomes, and plasma lipoproteins). (b) The transfer of [3H]cholesterol from red blood cells to ghosts was accelerated by the presence of plasma, even though the plasma competed with the ghosts as an acceptor. (c) The rate of transfer of [3H]cholesterol from red blood cells to ghosts decreased to zero with increasing dilution but was not simply second-order. (d) The cholesterol in retinal rod disc membranes is not at equilibrium with plasma lipoproteins in that disc cholesterol increased when the homogenates were incubated in vitro with plasma. (e) The kinetics of cholesterol transfer cannot be limited by unstirred layer effects since the transfer of lysolecithin in the same system was faster than that of cholesterol by 3 orders of magnitude. The simplest model compatible with all the data suggests a two-step pathway involving a first-order followed by a second-order process. The first step could be a unimolecular activation event, perhaps the movement of the sterol in the donor particle to a more exposed (hydrated) position. In the second step, the activated sterol would be transferred during transient collisions between donor and acceptor particles. When collision is not rate-limiting, the overall process would appear to be simply first-order, hence kinetically indistinguishable from the aqueous diffusion mechanism. The activation-collision model thus not only rationalizes our data but is also consistent with the simpler kinetics previously reported for the transfer of both membrane phospholipids and sterols.

  9. Flavin Charge Transfer Transitions Assist DNA Photolyase Electron Transfer

    NASA Astrophysics Data System (ADS)

    Skourtis, Spiros S.; Prytkova, Tatiana; Beratan, David N.

    2007-12-01

    This contribution describes molecular dynamics, semi-empirical and ab-initio studies of the primary photo-induced electron transfer reaction in DNA photolyase. DNA photolyases are FADH--containing proteins that repair UV-damaged DNA by photo-induced electron transfer. A DNA photolyase recognizes and binds to cyclobutatne pyrimidine dimer lesions of DNA. The protein repairs a bound lesion by transferring an electron to the lesion from FADH-, upon photo-excitation of FADH- with 350-450 nm light. We compute the lowest singlet excited states of FADH- in DNA photolyase using INDO/S configuration interaction, time-dependent density-functional, and time-dependent Hartree-Fock methods. The calculations identify the lowest singlet excited state of FADH- that is populated after photo-excitation and that acts as the electron donor. For this donor state we compute conformationally-averaged tunneling matrix elements to empty electron-acceptor states of a thymine dimer bound to photolyase. The conformational averaging involves different FADH--thymine dimer confromations obtained from molecular dynamics simulations of the solvated protein with a thymine dimer docked in its active site. The tunneling matrix element computations use INDO/S-level Green's function, energy splitting, and Generalized Mulliken-Hush methods. These calculations indicate that photo-excitation of FADH- causes a π→π* charge-transfer transition that shifts electron density to the side of the flavin isoalloxazine ring that is adjacent to the docked thymine dimer. This shift in electron density enhances the FADH--to-dimer electronic coupling, thus inducing rapid electron transfer.

  10. Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution

    NASA Astrophysics Data System (ADS)

    Young, Meggie N.; Bleiholder, Christian

    2017-03-01

    Structure elucidation by ion mobility spectrometry-mass spectrometry methods is based on the comparison of an experimentally measured momentum transfer cross-section to cross-sections calculated for model structures. Thus, it is imperative that the calculated cross-section must be accurate. However, it is not fully understood how important it is to accurately model the charge distribution of an analyte ion when calculating momentum transfer cross-sections. Here, we calculate and compare momentum transfer cross-sections for carbon clusters that differ in mass, charge state, and mode of charge distribution, and vary temperature and polarizability of the buffer gas. Our data indicate that the detailed distribution of the ion charge density is intimately linked to the contribution of glancing collisions to the momentum transfer cross-section. The data suggest that analyte ions with molecular mass 3 kDa or momentum transfer cross-section 400-500 Å2 would be significantly influenced by the charge distribution in nitrogen buffer gas. Our data further suggest that accurate structure elucidation on the basis of IMS-MS data measured in nitrogen buffer gas must account for the molecular charge distribution even for systems as large as C960 ( 12 kDa) when localized charges are present and/or measurements are conducted under cryogenic temperatures. Finally, our data underscore that accurate structure elucidation is unlikely if ion mobility data recorded in one buffer gas is converted into other buffer gases when electronic properties of the buffer gases differ.

  11. Charge exchange in slow collisions of Si3+ with H

    NASA Astrophysics Data System (ADS)

    Joseph, D. C.; Saha, B. C.

    2010-10-01

    Low energy electron capture from atomic hydrogen by multi-charged ions continues to be of interest and has wide applications including both magnetically confined^ fusion and astrophysical plasmas. The charge exchange process reported here, Si^3+ + H -- Si^2+ + H^+ is an important destruction mechanism of Si^3+ in photo-ionized gas. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si^3+, with neutrals in the cometary gas vapor. The state selective cross sections are evaluated using the semi-classical molecular orbital close coupling (MOCC) [1] methods. Adiabatic potentials and wave functions for a number of low-lying singlet and triplet states are calculated using the MRD-CI package [2]. Details will be presented at the conference. [1] M. Kimura and N. F. Lane, At. Mol. Opt. Phys 26, 79 (1990). [3] R. J. Buenker, ``Current Aspects of Quantum Chemistry'' 1981, Vol 21, edited by R. Carbo (Elsevier, Amsterdam) p 17.

  12. Mass transfer during ice particle collisions in planetary rings

    NASA Technical Reports Server (NTRS)

    Mcdonald, J. S. B.; Hatzes, A.; Bridges, F.; Lin, D. N. C.

    1989-01-01

    Experimental results are presented from laboratory environment simulations of the ice particle collisional properties defining the structure and dynamical evolution of planetary rings. It is inferred from these data that there is a dependence of the interacting volume on the impact velocity. Although the volume fraction exchanged during a collision is small, the net amount of material transferred can be substantially smaller. Attention is given to the implications of these determinations for planetary ring structure and evolution.

  13. Mass transfer during ice particle collisions in planetary rings

    NASA Astrophysics Data System (ADS)

    McDonald, J. S. B.; Hatzes, A.; Bridges, F.; Lin, D. N. C.

    1989-11-01

    Experimental results are presented from laboratory environment simulations of the ice particle collisional properties defining the structure and dynamical evolution of planetary rings. It is inferred from these data that there is a dependence of the interacting volume on the impact velocity. Although the volume fraction exchanged during a collision is small, the net amount of material transferred can be substantially smaller. Attention is given to the implications of these determinations for planetary ring structure and evolution.

  14. Cross sections of charge exchange and ionization in O{sup 8+}+H collision in Debye plasmas

    SciTech Connect

    Pandey, M. K.; Lin, Y.-C.; Ho, Y. K.

    2012-06-15

    Charge exchange and ionization processes in O{sup 8+}+H collision system in a Debye plasma are studied using the classical trajectory Monte Carlo (CTMC) method in the collision energy ranging from 1 keV/amu to 500 keV/amu. Total charge exchange and ionization cross sections have been determined in both screening and unscreening environments. In the unscreened case, partial cross sections for transfer into individual n shells of the projectile have also been determined. An interesting and remarkable feature of sudden increase in the ionization cross sections at lower velocities is discussed in terms of the CTMC framework. Results are analyzed in light of available theoretical and experimental results. The cross sections dependencies on Debye screening lengths have been investigated, and plasma screening effect on charge exchange and ionization cross sections has been found throughout the collision energies range, but is particularly pronounced at low projectile collision energies. The sudden rise in the ionization cross sections towards lower energies is explained qualitatively in terms of the multiple encounter model.

  15. Near resonant charge transfer in the reaction F(+) + CO - F + CO(+)

    NASA Astrophysics Data System (ADS)

    Kusunoki, I.; Ishikawa, T.

    1985-06-01

    Charge transfer reactions in the F(+) + CO system were investigated using a F(+) ion beam in the energy range 10-300 eVlab. The electronically excited product CO(+) A2Pi(i) was observed by the emission from the A-X transitions. At low collisional energy the dominant product is in the vibrational level v' = 5. The reaction cross section sigma(5) is about 1 A-sq at 12 eVc.m. and decreases with increasing collision energy. The large cross section at v' = 5 can be interpreted by near-resonant charge-transfer reactions. The rotational temperature of the product is about 300 K, which is the temperature of the reactant CO gas. For the resonant charge transfer, the translational energy is not effective, but the electronic and vibrational energy couple with each other strongly.

  16. Quantum-state-selected integral cross sections for the charge transfer collision of O2(+)(a(4)Πu5/2,3/2,1/2,-1/2: v(+) = 1-2; J(+)) [O2(+)(X(2)Πg3/2,1/2: v(+) = 22-23; J(+))] + Ar at center-of-mass collision energies of 0.05-10.00 eV.

    PubMed

    Xiong, Bo; Chang, Yih-Chung; Ng, Cheuk-Yiu

    2017-09-18

    By employing the sequential electric field pulsing scheme for vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) detection, we have successfully recorded the spin-orbit and rovibronic state resolved VUV-PFI-PI spectra for O2(+)(a(4)Πu5/2,3/2,1/2,-1/2: ν(+) = 0-2; J(+)) and O2(+)(X(2)Πg3/2,1/2: ν(+) = 21-23; J(+)), indicating that O2(+)(a(4)Πu) and O2(+)(X(2)Πg) ions in these spin-orbit and rovibronic states can be prepared for ion-molecule collision studies. The present experiment is concerned with the measurement of absolute integral cross sections (σ's) of the charge transfer reactions, O2(+)(a(4)Πu5/2,3/2,1/2,-1/2: ν(+) = 1, 2; J(+)) [O2(+)(X(2)Πg1/2,3/2: ν(+) = 22, 23)] + Ar → Ar(+) + O2. The fact that the O2(+)(a(4)Πu5/2,3/2,1/2,-1/2: ν(+) = 1) and O2(+)(X(2)Πg3/2,1/2: ν(+) = 22) [O2(+)(a(4)Πu5/2,3/2,1/2,-1/2: ν(+) = 2) and O2(+)(X(2)Πg3/2,1/2: ν(+) = 23)] states are in close energy resonance, makes these reactions ideal model systems for investigating the energy resonance and Franck-Condon factor (FCF) effects on the charge transfer reactivity of O2(+). The σ(a(4)Πu5/2,3/2,1/2,-1/2: ν(+) = 1, 2) values are found to be about ten-fold higher than the σ(X(2)Πg3/2,1/2: ν(+) = 22, 23) values at Ecm = 0.05-10.00 eV, indicating that the FCFs play a predominant role in promoting these charge transfer reactions. The present ion-molecule reaction study also shows that σ(a(4)Πu) depends strongly on the spin-orbit as well as the vibrational states with the order: σ(a(4)Πu: v(+) = 2) > σ(a(4)Πu: v(+) = 1), and σ(a(4)Πu5/2: v(+)) > σ(a(4)Πu3/2: v(+)) > σ(a(4)Πu1/2: v(+)) > σ(a(4)Πu-1/2: v(+)), where v(+) = 1 and 2. The high σ(a(4)Πu5/2,3/2,1/2,-1/2: v(+) = 1, 2) values, along with their decreasing trend with increasing Ecm, are consistent with those expected for a long range charge transfer mechanism. However, the low σ(X(2)Πg3/2,1/2: ν(+) = 22, 23) values and the lack of Ecm-dependence observed in the Ecm

  17. Calculation of total cross sections for charge exchange in molecular collisions

    NASA Technical Reports Server (NTRS)

    Ioup, J.

    1979-01-01

    Areas of investigation summarized include nitrogen ion-nitrogen molecule collisions; molecular collisions with surfaces; molecular identification from analysis of cracking patterns of selected gases; computer modelling of a quadrupole mass spectrometer; study of space charge in a quadrupole; transmission of the 127 deg cylindrical electrostatic analyzer; and mass spectrometer data deconvolution.

  18. An instrument for charge measurement due to a single collision between two spherical particles

    NASA Astrophysics Data System (ADS)

    Xie, L.; Bao, N.; Jiang, Y.; Han, K.; Zhou, J.

    2016-01-01

    It universally exists in moving particular systems that particles can be electrified, in which the particles are chemically identical, just as toner particles, coal dust, and pharmaceutical powders. However, owing to the limit of experimental instruments, so far, there are yet no experiments to illustrate whether a particle can be electrified due to a single collision between two spherical particles, and there are also no experiments to measure the charge carried by a single particle due to a single collision between two particles. So we have developed an instrument for charge measurement due to a single collision between two spheres. The instrument consists of two-sphere collision device, collision charge measurement apparatus, and particles' trajectory tracking system. By using this instrument, we can investigate the collision contact electrification due to a single collision between two spheres and simultaneously record the moving trajectories of spheres after the collision to calculate the rebound angles to identify the contribution of the triboelectrification due to the rubbing between the contact surfaces and the collision contact electrification due to the normal pressure between the contact surfaces.

  19. Collision rate coefficient for charged dust grains in the presence of linear shear

    NASA Astrophysics Data System (ADS)

    Yang, Huan; Hogan, Christopher J.

    2017-09-01

    Like and oppositely charged particles or dust grains in linear shear flows are often driven to collide with one another by fluid and/or electrostatic forces, which can strongly influence particle-size distribution evolution. In gaseous media, collisions in shear are further complicated because particle inertia can influence differential motion. Expressions for the collision rate coefficient have not been developed previously which simultaneously account for the influences of linear shear, particle inertia, and electrostatic interactions. Here, we determine the collision rate coefficient accounting for the aforementioned effects by determining the collision area, i.e., the area of the plane perpendicular to the shear flow defining the relative initial locations of particles which will collide with one another. Integration of the particle flux over this area yields the collision rate. Collision rate calculations are parametrized as an enhancement factor, i.e., the ratio of the collision rate considering potential interactions and inertia to the traditional collision rate considering laminar shear only. For particles of constant surface charge density, the enhancement factor is found dependent only on the Stokes number (quantifying particle inertia), the electrostatic energy to shear energy ratio, and the ratio of colliding particle radii. Enhancement factors are determined for Stokes numbers in the 0-10 range and energy ratios up to 5. Calculations show that the influences of both electrostatic interactions and inertia are significant; for inertialess (St =0 ) equal-sized and oppositely charged particles, we find that even at energy ratios as low as 0.2, enhancement factors are in excess of 2. For the same situation but like-charged particles, enhancement factors fall below 0.5. Increasing the Stokes number acts to mitigate the influence of electrostatic potentials for both like and oppositely charged particles; i.e., inertia reduces the enhancement factor for

  20. Ion imaging study of dissociative charge transfer in the N2(+) + CH4 system.

    PubMed

    Pei, Linsen; Farrar, James M

    2013-03-28

    The velocity map ion imaging method is applied to the dissociative charge transfer reactions of N2(+) with CH4 studied in crossed beams. The velocity space images are collected at four collision energies between 0.5 and 1.5 eV, providing both product kinetic energy and angular distributions for the reaction products CH3(+) and CH2(+). The general shapes of the images are consistent with long range electron transfer from CH4 to N2(+) preceding dissociation, and product kinetic energy distributions are consistent with energy resonance in the initial electron transfer step. The branching ratio for CH3(+):CH2(+) is 85:15 over the full collision energy range, consistent with literature reports.

  1. Resonant charge transfer between H+ and H from 1 to 5000 eV

    NASA Astrophysics Data System (ADS)

    Killian, Benjamin J.; Cabrera-Trujillo, Remigio; Deumens, Erik; Öhrn, Yngve

    2004-12-01

    We employ the electron-nuclear dynamics (END) formalism to investigate the resonant charge transfer and scattering processes in the collision of protons on atomic hydrogen as an introduction to investigations of resonant charge transfer in larger atomic and molecular systems. The END method consists of an ab initio, non-adiabatic treatment of the electronic and nuclear degrees of freedom. The results span an energy range from 1 eV to 5 keV. We present electron transfer probabilities, absolute charge transfer differential and integral cross sections, and state-to-state differential cross sections for principal energy levels n = 1 and 2. The present results compare favourably with experimental data and other theoretical results. For the total resonant charge transfer cross section, we confirm the relation σ1/2trans ~ ln E. The role of non-adiabatic couplings in transfer into the n = 2 level is confirmed, and the effect of basis set size on the dynamics of the transfer is probed.

  2. DNA charge transfer: Hot holes break the speed limit

    NASA Astrophysics Data System (ADS)

    Beratan, D. N.; Waldeck, D. H.

    2016-11-01

    Charge transfer through DNA has been well studied over recent decades from both a biological and electronics perspective. It has now been shown that charge transfer can be accelerated one hundredfold by using highly energetic 'hot holes', revealing a new mechanism that could help to create useful electronic biomaterials.

  3. Charge transfer in ultracold gases via Feshbach resonances

    NASA Astrophysics Data System (ADS)

    Gacesa, Marko; Côté, Robin

    2017-06-01

    We investigate the prospects of using magnetic Feshbach resonance to control charge exchange in ultracold collisions of heteroisotopic combinations of atoms and ions of the same element. The proposed treatment, readily applicable to alkali or alkaline-earth metals, is illustrated on cold collisions of +9Be and 10Be. Feshbach resonances are characterized by quantum scattering calculations in a coupled-channel formalism that includes non-Born-Oppenheimer terms originating from the nuclear kinetic operator. Near a resonance predicted at 322 G, we find the charge exchange rate coefficient to rise from practically zero to values greater than 10-12cm3 /s. Our results suggest controllable charge exchange processes between different isotopes of suitable atom-ion pairs, with potential applications to quantum systems engineered to study charge diffusion in trapped cold atom-ion mixtures and emulate many-body physics.

  4. Estimating and modeling charge transfer from the SAPT induction energy.

    PubMed

    Deng, Shi; Wang, Qiantao; Ren, Pengyu

    2017-10-05

    Recent studies using quantum mechanics energy decomposition methods, for example, SAPT and ALMO, have revealed that the charge transfer energy may play an important role in short ranged inter-molecular interactions, and have a different distance dependence comparing with the polarization energy. However, the charge transfer energy component has been ignored in most current polarizable or non-polarizable force fields. In this work, first, we proposed an empirical decomposition of SAPT induction energy into charge transfer and polarization energy that mimics the regularized SAPT method (ED-SAPT). This empirical decomposition is free of the divergence issue, hence providing a good reference for force field development. Then, we further extended this concept in the context of AMOEBA polarizable force field, proposed a consistent approach to treat the charge transfer phenomenon. Current results show a promising application of this charge transfer model in future force field development. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  5. Charge-dependent azimuthal correlations from AuAu to UU collisions

    NASA Astrophysics Data System (ADS)

    Bloczynski, John; Huang, Xu-Guang; Zhang, Xilin; Liao, Jinfeng

    2015-07-01

    We study the charge-dependent azimuthal correlations in relativistic heavy ion collisions, as motivated by the search for the Chiral Magnetic Effect (CME) and the investigation of related background contributions. In particular we aim to understand how these correlations induced by various proposed effects evolve from collisions with AuAu system to that with UU system. To do that, we quantify the generation of magnetic field in UU collisions at RHIC energy and its azimuthal correlation with the matter geometry using event-by-event simulations. Taking the experimental data for charge-dependent azimuthal correlations from AuAu collisions and extrapolating to UU with reasonable assumptions, we examine the resulting correlations to be expected in UU collisions and compare them with recent STAR measurements. Based on such analysis we discuss the viability for explaining the data with a combination of the CME-like and flow-induced contributions.

  6. Charged particle pseudorapidity density near mid-rapidity in ultrarelativistic gold + gold collisions at RHIC

    NASA Astrophysics Data System (ADS)

    Reuter, Michael Anthony

    The Relativistic Heavy Ion Collider (RHIC) provides access to the highest center-of-mass energies achieved in the field of relativistic heavy-ion physics. During the year 2000, RHIC produced Au+Au collisions at sNN = 56 and 130 GeV. In 2001, Au+Au collisions at the design energy of sNN = 200 GeV were achieved. These unprecedented energies allow for the continued search for a state of deconfined hadronic matter produced in the collisions. Part of that search will be to measure global event characteristics of the collisions. Global event characterization is an important task which provides a baseline for understanding the overall physics governing this new collision environment. One topic of global event characterization is the energy density present in the collision region, especially near mid-rapidity. The energy density is proportional to the observed particle production. The PHOBOS detector is designed to provide measurements of global event characteristics in ultrarelativistic heavy-ion collisions including charged particle production. This thesis explores the charged particle production (dN ch/dη) in Au+Au collisions for the previously mentioned energies at RHIC averaged over |η| < 1. The PHOBOS Vertex detector was used to obtain the measurement of charged particle production through the use of tracklets. The conversion of hits in the Vertex detector to tracklets to dNch/dη will be discussed. The dependence of the measured charged particle production on energy and collision geometry will be detailed. Relations to particle production results from the AGS, the SPS and high-energy physics experiments will also be presented. Comparison to model predictions and post-dictions of the charged particle production will also be discussed.

  7. Rovibrationally selected ion-molecule collision study using the molecular beam vacuum ultraviolet laser pulsed field ionization-photoion method: charge transfer reaction of N2(+)(X 2Σg+; v+ = 0-2; N+ = 0-9) + Ar.

    PubMed

    Chang, Yih Chung; Xu, Yuntao; Lu, Zhou; Xu, Hong; Ng, C Y

    2012-09-14

    We have developed an ion-molecule reaction apparatus for state-selected absolute total cross section measurements by implementing a high-resolution molecular beam vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) ion source to a double-quadrupole double-octopole ion-guide mass spectrometer. Using the total cross section measurement of the state-selected N(2)(+)(v(+), N(+)) + Ar charge transfer (CT) reaction as an example, we describe in detail the design of the VUV laser PFI-PI ion source used, which has made possible the preparation of reactant N(2)(+)(X (2)Σ(g)(+), v(+) = 0-2, N(+) = 0-9) PFI-PIs with high quantum state purity, high intensity, and high kinetic energy resolution. The PFI-PIs and prompt ions produced in the ion source are shown to have different kinetic energies, allowing the clean rejection of prompt ions from the PFI-PI beam by applying a retarding potential barrier upstream of the PFI-PI source. By optimizing the width and amplitude of the pulsed electric fields employed to the VUV-PFI-PI source, we show that the reactant N(2)(+) PFI-PI beam can be formed with a laboratory kinetic energy resolution of ΔE(lab) = ± 50 meV. As a result, the total cross section measurement can be conducted at center-of-mass kinetic energies (E(cm)'s) down to thermal energies. Absolute total rovibrationally selected cross sections σ(v(+) = 0-2, N(+) = 0-9) for the N(2)(+)(X (2)Σ(g)(+); v(+) = 0-2, N(+) = 0-9) + Ar CT reaction have been measured in the E(cm) range of 0.04-10.0 eV, revealing strong vibrational enhancements and E(cm)-dependencies of σ(v(+) = 0-2, N(+) = 0-9). The thermochemical threshold at E(cm) = 0.179 eV for the formation of Ar(+) from N(2)(+)(X; v(+) = 0, N(+)) + Ar was observed by the measured σ(v(+) = 0), confirming the narrow ΔE(cm) spread achieved in the present study. The σ(v(+) = 0-2; N(+)) values obtained here are compared with previous experimental and theoretical results. The theoretical predictions

  8. Precursor charge state prediction for electron transfer dissociation tandem mass spectra.

    PubMed

    Sharma, Vagisha; Eng, Jimmy K; Feldman, Sergey; von Haller, Priska D; MacCoss, Michael J; Noble, William S

    2010-10-01

    Electron-transfer dissociation (ETD) induces fragmentation along the peptide backbone by transferring an electron from a radical anion to a protonated peptide. In contrast with collision-induced dissociation, side chains and modifications such as phosphorylation are left intact through the ETD process. Because the precursor charge state is an important input to MS/MS sequence database search tools, the ability to accurately determine the precursor charge is helpful for the identification process. Furthermore, because ETD can be applied to large, highly charged peptides, the need for accurate precursor charge state determination is magnified. Otherwise, each spectrum must be searched repeatedly using a large range of possible precursor charge states. To address this problem, we have developed an ETD charge state prediction tool based on support vector machine classifiers that is demonstrated to exhibit superior classification accuracy while minimizing the overall number of predicted charge states. The tool is freely available, open source, cross platform compatible, and demonstrated to perform well when compared with an existing charge state prediction tool. The program is available from http://code.google.com/p/etdz/.

  9. Ab initio treatment of ion-induced charge transfer dynamics of isolated 2-deoxy-D-ribose.

    PubMed

    Bacchus-Montabonel, Marie-Christine

    2014-08-21

    Modeling-induced radiation damage in biological systems, in particular, in DNA building blocks, is of major concern in cancer therapy studies. Ion-induced charge-transfer dynamics may indeed be involved in proton and hadrontherapy treatments. We have thus performed a theoretical approach of the charge-transfer dynamics in collision of C(4+) ions and protons with isolated 2-deoxy-D-ribose in a wide collision energy range by means of ab initio quantum chemistry molecular methods. The comparison of both projectile ions has been performed with regard to previous theoretical and experimental results. The charge transfer appears markedly less efficient with the 2-deoxy-D-ribose target than that with pyrimidine nucleobases, which would induce an enhancement of the fragmentation process in agreement with experimental measurements. The mechanism has been analyzed with regard to inner orbital excitations, and qualitative tendencies have been pointed out for studies on DNA buiding block damage.

  10. Maximum entropy theory of recoil charge distributions in electron-capture collisions

    SciTech Connect

    Aberg, T.; Blomberg, A.; Tulkki, J.; Goscinski, O.

    1984-04-02

    A generalized Fermi-Dirac distribution is derived and applied to charge-state distributions in single collisions between multiply charged ions and rare-gas atoms. It relates multiple electron loss in single-electron capture to multiple ionization in multiphoton absorption and discloses inner-shell vacancy formation in double- and triple-electron capture.

  11. Evidence of Ultrafast Charge Transfer Driven by Coherent Lattice Vibrations.

    PubMed

    Rury, Aaron S; Sorenson, Shayne A; Dawlaty, Jahan M

    2017-01-05

    We report evidence that intermolecular vibrations coherently drive charge transfer between the sites of a material on ultrafast time scales. Following a nonresonant stimulated Raman pump pulse that excites the organic material quinhydrone, we observe the initial appearance of oscillations due to intermolecular lattice vibrations and then the delayed appearance of a higher-frequency oscillation that we assign to a totally symmetric intramolecular vibration. We use the coherent dynamics of the transient reflectivity signal to propose that coherence transfer drives excitation of this intramolecular vibration. Furthermore, we conclude that the dynamical frequency shift of the intramolecular vibration reports the formation of a quasi-stable charge-separated state on ultrafast time scales. We calculate model dynamics using the extended Hubbard Hamiltonian to explain coherence transfer due to vibrationally driven charge transfer. These results demonstrate that the coherent excitation of low-frequency vibrations can drive charge transfer in the solid state and control material properties.

  12. Charged particle multiplicities in ultra-relativistic Au+Au and Cu+Cu collisions.

    SciTech Connect

    Alver, B.; Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; PHOBOS Collaboration; Physics; Massachusetts Inst. of Tech.; BNL

    2006-01-01

    The PHOBOS collaboration has carried out a systematic study of charged particle multiplicities in Cu+Cu and Au+Au collisions at the Relativistic Heavy-Ion Collider (RHIC) at Brookhaven National Laboratory. A unique feature of the PHOBOS detector is its ability to measure charged particles over a very wide angular range from 0.5 to 179.5 deg. corresponding to |eta|<5.4. The general features of the charged particle multiplicity distributions as a function of pseudo-rapidity, collision energy and centrality, as well as system size, are discussed.

  13. The space charge layer of the electrical probe taking into account the collisions

    NASA Astrophysics Data System (ADS)

    Sysun, V. I.; Ignakhin, V. S.

    2017-08-01

    The space charge layer of a cylindrical probe has been considered under moderate pressures. A precise solution of Poisson's equation has been obtained in the approximation of strong field taking into account collisions with atoms. The approximate expression for a space charge layer in the cylindrical geometry without collisions has been suggested; the expression yields an error of up to 1% at 1 ≤ r_{sh}/r_p ≤ 200. A simplified approximate expression for a space charge layer under moderate pressures, which is suitable for practical calculations, has also been proposed.

  14. Charge exchange and ionization in hydrogen atom-fully stripped ion collisions in Debye plasmas

    SciTech Connect

    Zhang, H.; Wang, J. G.; He, B.; Qiu, Y. B.; Janev, R. K.

    2007-05-15

    The processes of charge exchange and ionization in collisions of ground state hydrogen atom with fully stripped ions in a weakly coupled plasma are studied by the classical trajectory Monte Carlo method in the collision energy range 10-900 keV/amu. The interparticle interactions are described by the Debye-Hueckel model with inclusion of dynamical effects associated with the projectile velocity. The microcanonical distribution of initial state electronic coordinates and momenta has been determined by inclusion of plasma screening effects. The cross section dependencies on plasma parameters and ion charge and velocity are investigated. It is shown that plasma effects on charge exchange and ionization cross sections are significant and particularly pronounced at low collision velocities. The results of systematic cross section calculations for different values of Debye screening length (in the range 1-50a{sub 0}) and ion charges (in the range 1-14) are presented.

  15. Charge Transfer and Catalysis at the Metal Support Interface

    SciTech Connect

    Baker, Lawrence Robert

    2012-07-31

    Kinetic, electronic, and spectroscopic characterization of model Pt–support systems are used to demonstrate the relationship between charge transfer and catalytic activity and selectivity. The results show that charge flow controls the activity and selectivity of supported metal catalysts. This dissertation builds on extensive existing knowledge of metal–support interactions in heterogeneous catalysis. The results show the prominent role of charge transfer at catalytic interfaces to determine catalytic activity and selectivity. Further, this research demonstrates the possibility of selectively driving catalytic chemistry by controlling charge flow and presents solid-state devices and doped supports as novel methods for obtaining electronic control over catalytic reaction kinetics.

  16. Improved Charge-Transfer Fluorescent Dyes

    NASA Technical Reports Server (NTRS)

    Meador, Michael

    2005-01-01

    Improved charge-transfer fluorescent dyes have been developed for use as molecular probes. These dyes are based on benzofuran nuclei with attached phenyl groups substituted with, variously, electron donors, electron acceptors, or combinations of donors and acceptors. Optionally, these dyes could be incorporated as parts of polymer backbones or as pendant groups or attached to certain surfaces via self-assembly-based methods. These dyes exhibit high fluorescence quantum yields -- ranging from 0.2 to 0.98, depending upon solvents and chemical structures. The wavelengths, quantum yields, intensities, and lifetimes of the fluorescence emitted by these dyes vary with (and, hence, can be used as indicators of) the polarities of solvents in which they are dissolved: In solvents of increasing polarity, fluorescence spectra shift to longer wavelengths, fluorescence quantum yields decrease, and fluorescence lifetimes increase. The wavelengths, quantum yields, intensities, and lifetimes are also expected to be sensitive to viscosities and/or glass-transition temperatures. Some chemical species -- especially amines, amino acids, and metal ions -- quench the fluorescence of these dyes, with consequent reductions in intensities, quantum yields, and lifetimes. As a result, the dyes can be used to detect these species. Another useful characteristic of these dyes is a capability for both two-photon and one-photon absorption. Typically, these dyes absorb single photons in the ultraviolet region of the spectrum (wavelengths < 400 nm) and emit photons in the long-wavelength ultraviolet, visible, and, when dissolved in some solvents, near-infrared regions. In addition, these dyes can be excited by two-photon absorption at near-infrared wavelengths (600 to 800 nm) to produce fluorescence spectra identical to those obtained in response to excitation by single photons at half the corresponding wavelengths (300 to 400 nm). While many prior fluorescent dyes exhibit high quantum yields

  17. Ytterbocene charge-transfer molecular wire complexes.

    PubMed

    Carlson, Christin N; Kuehl, Christopher J; Da Re, Ryan E; Veauthier, Jacqueline M; Schelter, Eric J; Milligan, Ashley E; Scott, Brian L; Bauer, Eric D; Thompson, J D; Morris, David E; John, Kevin D

    2006-06-07

    A systematic study of the novel charge-transfer [(f)14-(pi)0-(f)14 --> (f)13-(pi)2-(f)13] electronic state found in 2:1 metal-to-ligand adducts of the type [(Cp)2Yb](BL)[Yb(Cp)2] [BL = tetra(2-pyridyl)pyrazine (tppz) (1), 6',6' '-bis(2-pyridyl)-2,2':4',4'':2'',2'''-quaterpyridine (qtp) (2), 1,4-di(terpyridyl)-benzene (dtb) (3), Cp = (C5Me5)] has been conducted with the aim of determining the effects of increased Yb-Yb separation on the magnetic and electronic properties of these materials. The neutral [(f)13-(pi)2-(f)13], cationic [(f)13-(pi)1-(f)13] and dicationic [(f)13-(pi)0-(f)13] states of these complexes were studied by cyclic voltammetry, UV-vis-NIR electronic absorption spectroscopy, NMR, X-ray crystallography, and magnetic susceptibility measurements. The spectroscopic and magnetic data for the neutral bimetallic complexes is consistent with an [(f)13(pi)2(f)13] ground-state electronic configuration in which each ytterbocene fragment donates one electron to give a singlet dianionic bridging ligand with two paramagnetic Yb(III) centers. The voltammetric data demonstrate that the electronic interaction in the neutral molecular wires 1-3, as manifested in the separation between successive metal reduction waves, is large compared to analogous transition metal systems. Electronic spectra for the neutral and monocationic bimetallic species are dominated by pi-pi and pi-pi transitions, masking the f-f bands that are expected to best reflect the electronic metal-metal interactions. However, these metal-localized transitions are observed when the electrons are removed from the bridging ligand via chemical oxidation to yield the dicationic species, and they suggest very little electronic interaction between metal centers in the absence of pi electrons on the bridging ligands. Analysis of the magnetic data reveals that the qtp complex displays antiferromagnetic coupling of the type Yb(alpha)(alphabeta)Yb(beta) at approximately 13 K.

  18. Energy Transfer of a Shaped Charge.

    SciTech Connect

    Milinazzo, Jared Joseph

    2016-11-01

    A cylinder of explosive with a hollow cavity on one and a detonator at the other is considered a hollow charge. When the explosive is detonated the detonation products form a localized intense force. If the hollow charge is placed near or in contact with a steel plate then the damage to the plate is greater than a solid cylinder of explosive even though there is a greater amount of explosive in the latter charge. The hollow cavity can take almost any geometrical shape with differing amounts of damage associated with each shape. This phenomenon is known in the United States as the Munroe effect.

  19. Charge transfer in time-dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Maitra, Neepa T.

    2017-10-01

    Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and bio-chemistry. In many applications the size of the systems involved calls for time-dependent density functional theory (TDDFT) to be used in their computational modeling, due to its unprecedented balance between accuracy and efficiency. However, although exact in principle, in practise approximations must be made for the exchange-correlation functional in this theory, and the standard functional approximations perform poorly for excitations which have a long-range charge-transfer component. Intense progress has been made in developing more sophisticated functionals for this problem, which we review. We point out an essential difference between the properties of the exchange-correlation kernel needed for an accurate description of charge-transfer between open-shell fragments and between closed-shell fragments. We then turn to charge-transfer dynamics, which, in contrast to the excitation problem, is a highly non-equilibrium, non-perturbative, process involving a transfer of one full electron in space. This turns out to be a much more challenging problem for TDDFT functionals. We describe dynamical step and peak features in the exact functional evolving over time, that are missing in the functionals currently used. The latter underestimate the amount of charge transferred and manifest a spurious shift in the charge transfer resonance position. We discuss some explicit examples.

  20. Charge prediction machine: tool for inferring precursor charge states of electron transfer dissociation tandem mass spectra.

    PubMed

    Carvalho, Paulo C; Cociorva, Daniel; Wong, Catherine C L; Carvalho, Maria da Gloria da C; Barbosa, Valmir C; Yates, John R

    2009-03-01

    Electron transfer dissociation (ETD) can dissociate highly charged ions. Efficient analysis of ions dissociated with ETD requires accurate determination of charge states for calculation of molecular weight. We created an algorithm to assign the charge state of ions often used for ETD. The program, Charge Prediction Machine (CPM), uses Bayesian decision theory to account for different charge reduction processes encountered in ETD and can also handle multiplex spectra. CPM correctly assigned charge states to 98% of the 13,097 MS2 spectra from a combined data set of four experiments. In a comparison between CPM and a competing program, Charger (ThermoFisher), CPM produced half the mistakes.

  1. Charge transfer reactions in nematic liquid crystals

    SciTech Connect

    Wiederrecht, G.P.; Wasielewski, M.R. |; Galili, T.; Levanon, H.

    1998-07-01

    Ultrafast transient absorption studies of intramolecular photoinduced charge separation and thermal charge recombination were carried out on a molecule consisting of a 4-(N-pyrrolidino)naphthalene-1,8-imide donor (PNI) covalently attached to a pyromellitimide acceptor (PI) dissolved in the liquid crystal 4{prime}-(n-pentyl)-4-cyanobiphenyl (5CB). The temperature dependencies of the charge separation and recombination rates were obtained at temperatures above the nematic-isotropic phase transition of 5CB, where ordered microdomains exist and scattering of visible light by these domains is absent. The authors show that excited state charge separation is dominated by molecular reorientation of 5CB perpendicular to the director within the liquid crystal microdomains. They also show that charge recombination is adiabatic and is controlled by the comparatively slow collective reorientation of the liquid crystal microdomains relative to the orientation of PNI{sup +}-PI{sup {minus}}. They also report the results of time resolved electron paramagnetic resonance (TREPR) studies of photoinduced charge separation in a series of supramolecular compounds dissolved in oriented liquid crystal solvents. These studies permit the determination of the radical pair energy levels as the solvent reorganization energy increases from the low temperature crystalline phase, through the soft glass phase, to the nematic phase of the liquid crystal.

  2. Structure and charge transfer dynamics of the (Ar-N2)+ molecular cluster

    NASA Astrophysics Data System (ADS)

    Candori, R.; Cavalli, S.; Pirani, F.; Volpi, A.; Cappelletti, D.; Tosi, P.; Bassi, D.

    2001-11-01

    In this paper we have investigated the interaction potential and the charge transfer processes at low collision energies in the (Ar-N2)+ system. The angular dependence of the lowest doublet potential energy surfaces (PES), correlating with Ar+(2Pj)-N2 and Ar-N2+(2Σ,2Π), has been given in terms of spherical harmonics, while the dependence on the intermolecular distance has been represented by proper radial coefficients. Such coefficients, which account for van der Waals, induction, charge transfer, and electrostatic contributions, have been predicted by empirical correlation formulas. The PES so obtained have been employed to calculate cross sections for the charge transfer process Ar++N2→Ar+N2+ at low collision energy (E⩽2 eV). A good agreement between calculated and experimental cross sections is obtained by assuming that the duration of the nonadiabatic transition has to match the time required for the molecular rearrangement into the final vibrational state. As a consequence the efficient formation of product ions into specific vibrational states is limited to well defined ranges of impact parameters. This treatment leads to a unified description of the major experimental findings.

  3. Interfacial charge transfer absorption: Application to metal molecule assemblies

    NASA Astrophysics Data System (ADS)

    Creutz, Carol; Brunschwig, Bruce S.; Sutin, Norman

    2006-05-01

    Optically induced charge transfer between adsorbed molecules and a metal electrode was predicted by Hush to lead to new electronic absorption features, but has been only rarely observed experimentally. Interfacial charge transfer absorption (IFCTA) provides information concerning the barriers to charge transfer between molecules and the metal/semiconductor and the magnitude of the electronic coupling and could thus provide a powerful tool for understanding interfacial charge-transfer kinetics. Here, we utilize a previously published model [C. Creutz, B.S. Brunschwig, N. Sutin, J. Phys. Chem. B 109 (2005) 10251] to predict IFCTA spectra of metal-molecule assemblies and compare the literature observations to these predictions. We conclude that, in general, the electronic coupling between molecular adsorbates and the metal levels is so small that IFCTA is not detectable. However, few experiments designed to detect IFCTA have been done. We suggest approaches to optimizing the conditions for observing the process.

  4. Screen charge transfer by grounded tip on ferroelectric surfaces.

    SciTech Connect

    Kim, Y.; Kim, J.; Buhlmann, S.; Hong, S.; Kim, Y. K.; Kim, S.-H.; No, K.; Materials Science Division; Korea Advanced Inst. of Science and Technology; Samsung Advanced Inst. of Technology; Inostek Inc.

    2008-03-01

    We have investigated polarization reversal and charge transfer effects by a grounded tip on 50 nm thick ferroelectric thin films using piezoelectric force microscopy and Kelvin force microscopy. We observed the polarization reversal in the center of written domains, and also identified another mechanism, which is the transfer of screen charges toward the grounded tip. In order to overcome these phenomena, we successfully applied a modified read/write scheme featuring a bias voltage.

  5. Femtochemistry of Intramolecular Charge and Proton Transfer Reactions in Solution

    SciTech Connect

    Douhal, Abderrazzak; Sanz, Mikel; Carranza, Maria Angeles; Organero, Juan Angel; Tormo, Laura

    2005-03-17

    We report on the first observation of ultrafast intramolecular charge- and proton-transfer reactions in 4'-dimethylaminoflavonol (DAMF) in solution. Upon femtosecond excitation of a non-planar structure of DMAF in apolar medium, the intramolecular charge transfer (ICT) does not occur, and a slow (2 ps) proton motion takes place. However, in polar solvents, the ICT is very fast (100-200 fs) and the produced structure is stabilized that proton motion takes place in few or tens of ps.

  6. Modelling Charge Transfer Reactions and Excitations with Subsystem DFT

    NASA Astrophysics Data System (ADS)

    Pavanello, Michele; Neugebauer, Johannes

    2012-02-01

    The subsystem formulation of DFT known as Frozen Density Embedding (FDE) offers an excellent platform for studying charge transfer reactions in solvated systems, such as biosystems. We present the necessary theory developments for the calculation of the electronic couplings as well as the charge transfer excitations from FDE derived densities. We present preliminary calculations on DNA oligomers radical cations that include donor-bridge, donor-bridge-acceptor, and fully solvated systems.

  7. Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution.

    PubMed

    Young, Meggie N; Bleiholder, Christian

    2017-04-01

    Structure elucidation by ion mobility spectrometry-mass spectrometry methods is based on the comparison of an experimentally measured momentum transfer cross-section to cross-sections calculated for model structures. Thus, it is imperative that the calculated cross-section must be accurate. However, it is not fully understood how important it is to accurately model the charge distribution of an analyte ion when calculating momentum transfer cross-sections. Here, we calculate and compare momentum transfer cross-sections for carbon clusters that differ in mass, charge state, and mode of charge distribution, and vary temperature and polarizability of the buffer gas. Our data indicate that the detailed distribution of the ion charge density is intimately linked to the contribution of glancing collisions to the momentum transfer cross-section. The data suggest that analyte ions with molecular mass ~3 kDa or momentum transfer cross-section 400-500 Å(2) would be significantly influenced by the charge distribution in nitrogen buffer gas. Our data further suggest that accurate structure elucidation on the basis of IMS-MS data measured in nitrogen buffer gas must account for the molecular charge distribution even for systems as large as C960 (~12 kDa) when localized charges are present and/or measurements are conducted under cryogenic temperatures. Finally, our data underscore that accurate structure elucidation is unlikely if ion mobility data recorded in one buffer gas is converted into other buffer gases when electronic properties of the buffer gases differ. Graphical Abstract ᅟ.

  8. Discrete electrostatic charge transfer by the electrophoresis of a charged droplet in a dielectric liquid.

    PubMed

    Im, Do Jin; Ahn, Myung Mo; Yoo, Byeong Sun; Moon, Dustin; Lee, Dong Woog; Kang, In Seok

    2012-08-14

    We have experimentally investigated the electrostatic charging of a water droplet on an electrified electrode surface to explain the detailed inductive charging processes and use them for the detection of droplet position in a lab-on-a-chip system. The periodic bouncing motion of a droplet between two planar electrodes has been examined by using a high-resolution electrometer and an image analysis method. We have found that this charging process consists of three steps. The first step is inductive charge accumulation on the opposite electrode by the charge of a droplet. This induction process occurs while the droplet approaches the electrode, and it produces an induction current signal at the electrometer. The second step is the discharging of the droplet by the accumulated induced charge at the moment of contact. For this second step, there is no charge-transfer detection at the electrometer. The third step is the charging of the neutralized droplet to a certain charged state while the droplet is in contact with the electrode. The charge transfer of the third step is detected as the pulse-type signal of an electrometer. The second and third steps occur simultaneously and rapidly. We have found that the induction current by the movement of a charged droplet can be accurately used to measure the charge of the droplet and can also be used to monitor the position of a droplet under actuation. The implications of the current findings for understanding and measuring the charging process are discussed.

  9. Charged-Particle Pseudorapidity Density Distributions from Au+Au Collisions at

    SciTech Connect

    Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Decowski, M. P.; Garcia, E.

    2001-09-03

    The charged-particle pseudorapidity density dN{sub ch}/d{eta} has been measured for Au+Au collisions at s{sub NN}=130 GeV at RHIC, using the PHOBOS apparatus. The total number of charged particles produced for the 3% most-central Au+Au collisions for |{eta}|{<=}5.4 is found to be 4200{+-}470 . The evolution of dN{sub ch}/d{eta} with centrality is discussed, and compared to model calculations and to data from proton-induced collisions. The data show an enhancement in charged-particle production at midrapidity, while in the fragmentation regions, the results are consistent with expectations from pp and pA scattering.

  10. SEMICONDUCTOR DEVICES: Simulation for signal charge transfer of charge coupled devices

    NASA Astrophysics Data System (ADS)

    Zujun, Wang; Yinong, Liu; Wei, Chen; Benqi, Tang; Zhigang, Xiao; Shaoyan, Huang; Minbo, Liu; Yong, Zhang

    2009-12-01

    Physical device models and numerical processing methods are presented to simulate a linear buried channel charge coupled devices (CCDs). The dynamic transfer process of CCD is carried out by a three-phase clock pulse driver. By using the semiconductor device simulation software MEDICI, dynamic transfer pictures of signal charges cells, electron concentration and electrostatic potential are presented. The key parameters of CCD such as charge transfer efficiency (CTE) and dark electrons are numerically simulated. The simulation results agree with the theoretic and experimental results.

  11. Electron capture in ion-molecule collisions at intermediate energy

    SciTech Connect

    Kumura, M.

    1986-01-01

    Recent progress of theoretical charge transfer study in ion-molecule collisions at the intermediate energy is reviewed. Concept of close and distant collisions obtained from extensive ion-atom collision studies is identified so that it can be utilized to model two distinct collision processes. For a close collision, explicit representation of the whole collision complex is necessary to describe collision dynamics correctly, while a model potential approach for molecule is appropriate for a distant collision. It is shown that these two distinct models are indeed capable of reproducing experimental charge transfer cross sections. Some remarks for further theoretical study of ion-molecule collisions are also given. 21 refs., 8 figs.

  12. Simulations of ion velocity distribution functions taking into account both elastic and charge exchange collisions

    NASA Astrophysics Data System (ADS)

    Wang, Huihui; Sukhomlinov, Vladimir S.; Kaganovich, Igor D.; Mustafaev, Alexander S.

    2017-02-01

    Based on accurate representation of the He+-He angular differential scattering cross sections consisting of both elastic and charge exchange collisions, we performed detailed numerical simulations of the ion velocity distribution functions (IVDF) by Monte Carlo collision method (MCC). The results of simulations are validated by comparison with the experimental data of the ion mobility and the transverse diffusion. The IVDF simulation study shows that due to significant effect of scattering in elastic collisions IVDF cannot be separated into product of two independent IVDFs in the transverse and parallel to the electric field directions.

  13. Collision phenomena involving highly-charged ions in astronomical objects

    NASA Technical Reports Server (NTRS)

    Chutjian, A.

    2001-01-01

    A description of the role of highly charged ions in various astronomical objects; includes the use of critical quantities such as cross sections for excitation, charge-exchange, X-ray emission, radiative recombination (RR) and dielectronic recombination (DR); and lifetimes, branching ratios, and A-values.

  14. Single-collision studies of energy transfer and chemical reaction

    SciTech Connect

    Valentini, J.J.

    1993-12-01

    The research focus in this group is state-to-state dynamics of reaction and energy transfer in collisions of free radicals such as H, OH, and CH{sub 3} with H{sub 2}, alkanes, alcohols and other hydrogen-containing molecules. The motivation for the work is the desire to provide a detailed understanding of the chemical dynamics of prototype reactions that are important in the production and utilization of energy sources, most importantly in combustion. The work is primarily experimental, but with an important and growing theoretical/computational component. The focus of this research program is now on reactions in which at least one of the reactants and one of the products is polyatomic. The objective is to determine how the high dimensionality of the reactants and products differentiates such reactions from atom + diatom reactions of the same kinematics and energetics. The experiments use highly time-resolved laser spectroscopic methods to prepare reactant states and analyze the states of the products on a single-collision time scale. The primary spectroscopic tool for product state analysis is coherent anti-Stokes Raman scattering (CARS) spectroscopy. CARS is used because of its generality and because the extraction of quantum state populations from CARS spectra is straightforward. The combination of the generality and easy analysis of CARS makes possible absolute cross section measurements (both state-to-state and total), a particularly valuable capability for characterizing reactive and inelastic collisions. Reactant free radicals are produced by laser photolysis of appropriate precursors. For reactant vibrational excitation stimulated Raman techniques are being developed and implemented.

  15. INTRAMOLECULAR CHARGE AND ENERGY TRANSFER IN MULTICHROMOPHORIC AROMATIC SYSTEMS

    SciTech Connect

    Edward C. Lim

    2008-09-09

    A concerted experimental and computational study of energy transfer in nucleic acid bases and charge transfer in dialkylaminobenzonitriles, and related electron donor-acceptor molecules, indicate that the ultrafast photoprocesses occur through three-state conical interactions involving an intermediate state of biradical character.

  16. Emergence of Chaos in nano-electromechanical shuttles with hard-wall collision: Nonanalytic charge transport

    NASA Astrophysics Data System (ADS)

    Park, Hee Chul; Ahn, Kang-Hun

    2015-03-01

    We develop a theory for charge transport in nano-electromechanical shuttles in the presence of hard-wall collision. We show that, in certain regimes, the time-averaged charge current is not predictable and is not an analytic function of applied voltage. The rectified electric current and its non-analyticity emerge from a non-Markovian process in the presence of the hard-wall collision, which causes chaotic motion of the shuttle. This work was supported by research fund of KIAS and Chungnam National University. Computations was supported by the CAC of KIAS.

  17. Collision Induced Dissociation and Energy Transfer in Molecular Hydroge

    NASA Astrophysics Data System (ADS)

    Mandy, Margot E.

    2006-06-01

    Molecular hydrogen is a significant constituent in giant molecular clouds in the interstellar medium. Shocks in these clouds are associated with star formation. The cooling of the shocks is governed by competition of collisional energy transfer and dissociation with radiative cooling by quadrupole emission. Thus a detailed understanding of collisional behaviour of molecular hydrogen is needed. Work in this group has examined energy transfer and dissociation in molecular energy transfer as the result of collisions with H, D, He, and H2. Using quasiclassical trajectories and chemically accurate ab initio potentials state-to-state rate coefficients have been determined. The uncertainties of the cross sections are propagated rigourously to give uncertainties of the rate coefficients and the rate coefficients are parameterized as a function of temperature. Comparisons with quantum calculations are discussed and the proposed website is described.This work was supported by a grant from the Natural Sciences and Engineering Research Council of Canada. The calculations were carried out using the high performance computing facility jointly supported by the Canadian Foundation for Innovation, the British Columbia Knowledge Development Fund, and Silicon Graphics at the University of Northern British Columbia.

  18. Electronic excitation and charge transfer processes in collisions of H{sup +}, H{sub 2}{sup +}, and H{sub 3}{sup +} ions with carbon monoxide at typical solar-wind velocities

    SciTech Connect

    Werbowy, S.; Pranszke, B.

    2014-01-10

    Luminescence in the 200-580 nm spectral region was observed in the collisions of H{sup +}, H{sub 2}{sup +}, and H{sub 3}{sup +} with CO in the 50-1000 eV projectile energy range. Using computer simulations, we have identified emission of the following products in the observed spectra: the CO{sup +}(A-X) comet-tail system, CO{sup +}(B-X) first negative system, CO{sup +}(B-A) Baldet-Johnson system, and CO(b-a) third positive system. Also, an emission from atomic hydrogen (H{sub β} line at 486nm) has been observed. From the analysis of the experimental spectra, we have determined the absolute emission cross-sections for the formation of the observed products. Computer simulations gave the excited-product population distributions over vibrational and rotational energy levels. The vibrational level distribution from the CO{sup +}(A-X) comet-tail system is compared with the data for CO excited by 100 eV electrons and extreme ultraviolet radiation (XUV) photons. We have used these data to analyze the excitation conditions in the comet Humason (1961e). From the vibrational population distributions observed in the comet, we found that this distribution can be reproduced if electrons produce 25%, protons 70%, and XUV photons produce 5% of the emitting molecules. We find that the ratio of the CO{sup +}(B-X) emission to the sum of two main emissions (CO{sup +}(A-X)+CO{sup +}(B-X)) is velocity dependent and does not depend on the projectile ion type. For small velocities (below 100 km s{sup –1}) the ratio is about 5%, while for higher velocities it increases to 30%. For these data, we have found an empirical formula that satisfactorily describes the experimental data: R = R {sub max}(1 – v {sub th}/v), (where R {sub max} = 33%, v {sub th} = 87 km s{sup –1}). This could be used to infer the velocity of ions producing the observed emission of CO{sup +} products.

  19. Cross sections for charge transfer between mercury ions and other metals

    NASA Technical Reports Server (NTRS)

    Vroom, D. A.; Rutherford, J. A.

    1977-01-01

    Cross sections for charge transfer between several ions and metals of interest to the NASA electro propulsion program have been measured. Specifically, the ions considered were Hg(+), Xe(+) and Cs(+) and the metals Mo, Fe, Al, Ti, Ta, and C. Measurements were made in the energy regime from 1 to 5,000 eV. In general, the cross sections for charge transfer were found to be less than 10 to the minus 15 power sq cm for most processes over the total energy range. Exceptions are Hg(+) in collision with Ti and Ta. The results obtained for each reaction are given in both graphical and numerical form in the text. For quick reference, the data at several ion velocities are condensed into one table given in the summary.

  20. The study of surface acoustic wave charge transfer device

    NASA Technical Reports Server (NTRS)

    Papanicolaou, N.; Lin, H. C.

    1978-01-01

    A surface acoustic wave-charge transfer device, consisting of an n-type silicon substrate, a thermally grown silicon dioxide layer, and a sputtered film of piezoelectric zinc oxide is proposed as a means of circumventing problems associated with charge-coupled device (CCD) applications in memory, signal processing, and imaging. The proposed device creates traveling longitudinal electric fields in the silicon and replaces the multiphase clocks in CCD's. The traveling electric fields create potential wells which carry along charges stored there. These charges may be injected into the wells by light or by using a p-n junction as in conventional CCD's.

  1. Coherent ultrafast charge transfer in an organic photovoltaic blend.

    PubMed

    Falke, Sarah Maria; Rozzi, Carlo Andrea; Brida, Daniele; Maiuri, Margherita; Amato, Michele; Sommer, Ephraim; De Sio, Antonietta; Rubio, Angel; Cerullo, Giulio; Molinari, Elisa; Lienau, Christoph

    2014-05-30

    Blends of conjugated polymers and fullerene derivatives are prototype systems for organic photovoltaic devices. The primary charge-generation mechanism involves a light-induced ultrafast electron transfer from the light-absorbing and electron-donating polymer to the fullerene electron acceptor. Here, we elucidate the initial quantum dynamics of this process. Experimentally, we observed coherent vibrational motion of the fullerene moiety after impulsive optical excitation of the polymer donor. Comparison with first-principle theoretical simulations evidences coherent electron transfer between donor and acceptor and oscillations of the transferred charge with a 25-femtosecond period matching that of the observed vibrational modes. Our results show that coherent vibronic coupling between electronic and nuclear degrees of freedom is of key importance in triggering charge delocalization and transfer in a noncovalently bound reference system. Copyright © 2014, American Association for the Advancement of Science.

  2. Radiative charge-transfer lifetime of the excited state of (NaCa){sup +}

    SciTech Connect

    Makarov, Oleg P.; Cote, R.; Michels, H.; Smith, W.W.

    2003-04-01

    New experiments were proposed recently to investigate the regime of cold atomic and molecular ion-atom collision processes in a special hybrid neutral-atom-ion trap under high-vacuum conditions. We study the collisional cooling of laser precooled Ca{sup +} ions by ultracold Na atoms. Modeling this process requires knowledge of the radiative lifetime of the excited singlet A {sup 1}{sigma}{sup +} state of the (NaCa){sup +} molecular system. We calculate the rate coefficient for radiative charge transfer using a semiclassical approach. The dipole radial matrix elements between the ground and the excited states, and the potential curves were calculated using complete active space self-consistent field and Moeller-Plesset second-order perturbation theory with an extended Gaussian basis, 6-311+G (3df). The semiclassical charge-transfer rate coefficient was averaged over a thermal Maxwellian distribution. In addition, we also present elastic collision cross sections and the spin-exchange cross section. The rate coefficient for charge transfer was found to be 2.3x10{sup -16} cm{sup 3}/sec, while those for the elastic and spin-exchange cross sections were found to be several orders of magnitude higher (1.1x10{sup -8} cm{sup 3}/sec and 2.3x10{sup -9} cm{sup 3}/sec, respectively). This confirms our assumption that the milli-Kelvin regime of collisional cooling of calcium ions by sodium atoms is favorable with the respect to low loss of calcium ions due to the charge transfer.

  3. Theoretical investigation of electron transfer and detachment processes in low energy H- + Li and Li- + H collisions

    NASA Astrophysics Data System (ADS)

    Wu, Y.; Lin, X. H.; Yan, B.; Wang, J. G.; Janev, R. K.

    2016-02-01

    The charge exchange and collisional detachment processes in H- + Li and Li- + H collisions have been studied by using the quantal molecular orbital close-coupling (QMOCC) method in the energy ranges of about 0.12-1000 eV u-1 and 0.1 meV-1000 eV, respectively, and the inelastic collision cross sections and rate coefficients have been computed and presented. It is found that the electron transfer process in the H- + Li and Li- + H collisions is due to the Demkov coupling between the 12Σ+ and 22Σ+ states at internuclear distances of about 15a0. The collisional electron detachment in the considered collision system is due to the excitation of the remaining six states, which are all unstable against autodetachment. These states are populated through a series of Landau-Zener couplings of the 22Σ+ state with upper 2Σ+ states and by the rotational 2Σ+-2Π couplings at small internuclear distances. The cross sections for electron transfer in H- + Li and Li- + H collisions in the energy range of 10-1000 eV u-1 attain values in the range of 10-16-10-15 cm2 (reaching their maximum values of about 5 × 10-15 cm2 at 500-600 eV u-1), while the values of the corresponding electron detachment cross sections in this energy range attain generally smaller values.

  4. Imaging charge and energy transfer in molecules using free-electron lasers

    NASA Astrophysics Data System (ADS)

    Rudenko, Artem

    2014-05-01

    Charge and energy transfer reactions drive numerous important processes in physics, chemistry and biology, with applications ranging from X-ray astrophysics to artificial photosynthesis and molecular electronics. Experimentally, the central goal in studies of transfer phenomena is to trace the spatial localization of charge at a given time. Because of their element and site sensitivity, ultrafast X-rays provide a promising tool to address this goal. In this talk I will discuss several experiments where free-electron lasers were employed to study charge and energy transfer dynamics in fragmenting molecules. In a first example, we used intense, 70 femtosecond 1.5 keV pulses from the Linac Coherent Light Source (LCLS) to study distance dependence of electron transfer in laser-dissociated methyl iodide molecules. Inducing well-localized positive charge on the heavy iodine atom, we observe signature of electron transition from the separated methyl group up to the distances of 35 atomic units. In a complementary experiment, we studied charge exchange between two partners in a dissociating molecular iodine employing a pump-probe arrangement with two identical 90 eV pulses from the Free-Electron LASer in Hamburg (FLASH). In both cases, the effective spatial range of the electron transfer can be reasonably described by a classical over-the-barrier model developed for ion-atom collisions. Finally, I will discuss a time-resolved measurement on non-local relaxation mechanism based on a long-range energy transfer, the so-called interatomic Coulombic decay. This work was supported by Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy and by the Kansas NSF ``First Award'' program.

  5. Theoretical investigation of charge transfer between N{sup 6+} and atomic hydrogen

    SciTech Connect

    Wu, Y.; Stancil, P. C.; Liebermann, H. P.; Funke, P.; Rai, S. N.; Buenker, R. J.; Schultz, D. R.; Hui, Y.; Draganic, I. N.; Havener, C. C.

    2011-08-15

    Charge transfer due to collisions of ground-state N{sup 6+}(1s {sup 2} S) with atomic hydrogen has been investigated theoretically using the quantum-mechanical molecular-orbital close-coupling (QMOCC) method, in which the adiabatic potentials and nonadiabatic couplings were obtained using the multireference single- and double-excitation configuration-interaction (MRDCI) approach. Total, n-, l-, and S-resolved cross sections have been obtained for energies between 10 meV/u and 10 keV/u. The QMOCC results were compared to available experimental and theoretical data as well as to merged-beams measurements and atomic-orbital close-coupling and classical trajectory Monte Carlo calculations. The accuracy of the QMOCC charge-transfer cross sections was found to be sensitive to the accuracy of the adiabatic potentials and couplings. Consequently, we developed a method to optimize the atomic basis sets used in the MRDCI calculations for highly charged ions. Since cross sections, especially those that are state selective, are necessary input for x-ray emission simulation of heliospheric and Martian exospheric spectra arising from solar wind ion-neutral gas collisions, a recommended set of state-selective cross sections, based on our evaluation of the calculations and measurements, is provided.

  6. Theoretical Investigation of Charge Transfer between N6+ and atomic Hydrogen

    SciTech Connect

    Wu, Y.; Stancil, P C; Liebermann, H. P.; Funke, P.; Rai, S. N.; Buenker, R. J.; Schultz, David Robert; Hui, Yawei; Draganic, Ilija N; Havener, Charles C

    2011-01-01

    Charge transfer due to collisions of ground-state N{sup 6+}(1s{sup 2} S) with atomic hydrogen has been investigated theoretically using the quantum-mechanical molecular-orbital close-coupling (QMOCC) method, in which the adiabatic potentials and nonadiabatic couplings were obtained using the multireference single- and double-excitation configuration-interaction (MRDCI) approach. Total, n-, l-, and S-resolved cross sections have been obtained for energies between 10 meV/u and 10 keV/u. The QMOCC results were compared to available experimental and theoretical data as well as to merged-beams measurements and atomic-orbital close-coupling and classical trajectory Monte Carlo calculations. The accuracy of the QMOCC charge-transfer cross sections was found to be sensitive to the accuracy of the adiabatic potentials and couplings. Consequently, we developed a method to optimize the atomic basis sets used in the MRDCI calculations for highly charged ions. Since cross sections, especially those that are state selective, are necessary input for x-ray emission simulation of heliospheric and Martian exospheric spectra arising from solar wind ion-neutral gas collisions, a recommended set of state-selective cross sections, based on our evaluation of the calculations and measurements, is provided.

  7. A collision cross-section database of singly-charged peptide ions.

    PubMed

    Tao, Lei; McLean, Janel R; McLean, John A; Russell, David H

    2007-07-01

    A database of ion-neutral collision cross-sections for singly-charged peptide ions is presented. The peptides included in the database were generated by enzymatic digestion of known proteins using three different enzymes, resulting in peptides that differ in terms of amino acid composition as well as N-terminal and C-terminal residues. The ion-neutral collision cross-sections were measured using ion mobility (IM) spectrometry that is directly coupled to a time-of-flight (TOF) mass spectrometer. The ions were formed by a matrix-assisted laser desorption ionization (MALDI) ion source operated at pressures (He bath gas) of 2 to 3 torr. The majority (63%) of the peptide ion collision cross-sections correlate well with structures that are best described as charge-solvated globules, but a significant number of the peptide ions exhibit collision cross-sections that are significantly larger or smaller than the average, globular mobility-mass correlation. Of the peptide ions having larger than average collision cross-sections, approximately 71% are derived from trypsin digestion (C-terminal Arg or Lys residues) and most of the peptide ions that have smaller (than globular) collision cross-sections are derived from pepsin digestion (90%).

  8. UNIVERSAL BEHAVIOR OF CHARGED PARTICLE PRODUCTION IN HEAVY ION COLLISIONS AT RHIC ENERGIES.

    SciTech Connect

    STEINBERG,P.A.; FOR THE PHOBOS COLLABORATION

    2002-07-18

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at {radical}(s{sub NN}) = 19.6, 130 and 200 GeV. Two observations indicate universal behavior of charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/{bar p}p and e{sup +}e{sup -} data. / in nuclear collisions at high energy scales with {radical}s in a similar way as N{sub ch} in e{sup +}e{sup -} collisions and has a very weak centrality dependence. These features may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  9. UNIVERSAL BEHAVIOR OF CHARGED PARTICLE PRODUCTION IN HEAVY ION COLLISIONS AT RHIC ENERGIES.

    SciTech Connect

    STEINBERG,P.A.; FOR THE PHOBOS COLLABORATION

    2002-07-24

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at {radical}(s{sub NN}) = 19.6, 130 and 200 GeV. Two observations indicate universal behavior of charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/{bar p}p and e{sup +}e{sup -} data. / in nuclear collisions at high energy scales with {radical}s in a similar way as N{sub ch} in e{sup +}e{sup -} collisions and has a very weak centrality dependence. These features may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  10. UNIVERSAL BEHAVIOR OF CHARGED PARTICLE PRODUCTION IN HEAVY ION COLLISIONS AT RHIC ENERGIES.

    SciTech Connect

    STEINBERG,P.A.FOR THE PHOBOS COLLABORATION

    2002-07-18

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at {radical}(s{sub NN}) = 19.6, 130 and 200 GeV. Two kinds of universal behavior are observed in charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/{bar p}p and e{sup +}e{sup -} data. / in nuclear collisions at high energy scales with {radical}s in a similar way as N{sub ch} in e{sup +}e{sup -} collisions and has a very weak centrality dependence. This feature may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  11. Voltage and frequency dependence of prestin-associated charge transfer

    PubMed Central

    Sun, Sean X.; Farrell, Brenda; Chana, Matthew S.; Oster, George; Brownell, William E.; Spector, Alexander A.

    2009-01-01

    Membrane protein prestin is a critical component of the motor complex that generates forces and dimensional changes in cells in response to changes in the cell membrane potential. In its native cochlear outer hair cell, prestin is crucial to the amplification and frequency selectivity of the mammalian ear up to frequencies of tens of kHz. Other cells transfected with prestin acquire voltage-dependent properties similar to those of the native cell. The protein performance is critically dependent on chloride ions, and intrinsic protein charges also play a role. We propose an electro-diffusion model to reveal the frequency and voltage dependence of electric charge transfer by prestin. The movement of the combined charge (i.e., anion and protein charges) across the membrane is described with a Fokker-Planck equation coupled to a kinetic equation that describes the binding of chloride ions to prestin. We found a voltage-and frequency-dependent phase shift between the transferred charge and the applied electric field that determines capacitive and resistive components of the transferred charge. The phase shift monotonically decreases from zero to -90 degree as a function of frequency. The capacitive component as a function of voltage is bell-shaped, and decreases with frequency. The resistive component is bell-shaped for both voltage and frequency. The capacitive and resistive components are similar to experimental measurements of charge transfer at high frequencies. The revealed nature of the transferred charge can help reconcile the high-frequency electrical and mechanical observations associated with prestin, and it is important for further analysis of the structure and function of this protein. PMID:19490917

  12. Charge Transfer in Multiple Site Chemical Systems.

    DTIC Science & Technology

    2014-09-26

    transfer, II1 7 III 3+* 111 III o (dte)2ClRu (L)Ru Cllkpy) 2 -(dpte) 2 ClRu (L)Rul( py) (bpy) , and is ompetitive with excited state nonradiative ...energy, mixed-valence iscmer to the ground state, (dpte) 2ClRu II(L)Ru IICl- * Cpy)2 3+-+(pte 2 ClRuI (L)Ru ICl(tpy)2 3+, folowing nonradiative decay

  13. What Controls the Rate of Ultrafast Charge Transfer and Charge Separation Efficiency in Organic Photovoltaic Blends.

    PubMed

    Jakowetz, Andreas C; Böhm, Marcus L; Zhang, Jiangbin; Sadhanala, Aditya; Huettner, Sven; Bakulin, Artem A; Rao, Akshay; Friend, Richard H

    2016-09-14

    In solar energy harvesting devices based on molecular semiconductors, such as organic photovoltaics (OPVs) and artificial photosynthetic systems, Frenkel excitons must be dissociated via charge transfer at heterojunctions to yield free charges. What controls the rate and efficiency of charge transfer and charge separation is an important question, as it determines the overall power conversion efficiency (PCE) of these systems. In bulk heterojunctions between polymer donor and fullerene acceptors, which provide a model system to understand the fundamental dynamics of electron transfer in molecular systems, it has been established that the first step of photoinduced electron transfer can be fast, of order 100 fs. But here we report the first study which correlates differences in the electron transfer rate with electronic structure and morphology, achieved with sub-20 fs time resolution pump-probe spectroscopy. We vary both the fullerene substitution and donor/fullerene ratio which allow us to control both aggregate size and the energetic driving force for charge transfer. We observe a range of electron transfer times from polymer to fullerene, from 240 fs to as short as 37 fs. Using ultrafast electro-optical pump-push-photocurrent spectroscopy, we find the yield of free versus bound charges to be weakly dependent on the energetic driving force, but to be very strongly dependent on fullerene aggregate size and packing. Our results point toward the importance of state accessibility and charge delocalization and suggest that energetic offsets between donor and acceptor levels are not an important criterion for efficient charge generation. This provides design rules for next-generation materials to minimize losses related to driving energy and boost PCE.

  14. Rotational And Rovibrational Energy Transfer In Electron Collisions With Molecules

    NASA Technical Reports Server (NTRS)

    Thuemmel, Helmar T.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Air flows around a hypervelocity reentry vehicle undergo dissociation, rovibrational excitation and ionization. More specifically the air, initially 80% N2 and 20% O2, in the shock layer consists of species such as N, O, N2, O2, NO, N+, O+, N+, O+, NO+ and 2 free electrons. It was pointed out in multi temperature models'' that the temperature of the rotational energy modes and the gas-kinetic translational temperature are quickly equilibrated by a few collisions and rise rapidly to high temperatures as 50000K before falling off to equilibrium value of 10000K. Contrary, the electronic and vibrational temperatures state energy distributions remain low (less than 15000K) because of the slow equilibration. Electron vibrational energy transfer is thought to play a crucial role in such a ionizing flow regime since chemical reaction rates and dissociation depend strongly on the vibrational temperatures. Modeling of these flowfields in principle require the rovibrational excitation and de-excitation cross section data for average electron energies from threshold up to several eV (leV=11605.4 K). In this lecture we focus on theoretical description of rotational effects i.e. energy transfer of electrons to molecules such that the molecular rotational (vojo goes to voj) or vibrational and rotational (v(sub 0)j(sub 0) goes to vj) states are changed. Excitation and de-excitation of electronic states was discussed in a previous talk at this conference.

  15. Rotational And Rovibrational Energy Transfer In Electron Collisions With Molecules

    NASA Technical Reports Server (NTRS)

    Thuemmel, Helmar T.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Air flows around a hypervelocity reentry vehicle undergo dissociation, rovibrational excitation and ionization. More specifically the air, initially 80% N2 and 20% O2, in the shock layer consists of species such as N, O, N2, O2, NO, N+, O+, N+, O+, NO+ and 2 free electrons. It was pointed out in multi temperature models'' that the temperature of the rotational energy modes and the gas-kinetic translational temperature are quickly equilibrated by a few collisions and rise rapidly to high temperatures as 50000K before falling off to equilibrium value of 10000K. Contrary, the electronic and vibrational temperatures state energy distributions remain low (less than 15000K) because of the slow equilibration. Electron vibrational energy transfer is thought to play a crucial role in such a ionizing flow regime since chemical reaction rates and dissociation depend strongly on the vibrational temperatures. Modeling of these flowfields in principle require the rovibrational excitation and de-excitation cross section data for average electron energies from threshold up to several eV (leV=11605.4 K). In this lecture we focus on theoretical description of rotational effects i.e. energy transfer of electrons to molecules such that the molecular rotational (vojo goes to voj) or vibrational and rotational (v(sub 0)j(sub 0) goes to vj) states are changed. Excitation and de-excitation of electronic states was discussed in a previous talk at this conference.

  16. Nigericin-induced charge transfer across membranes.

    PubMed

    Markin, V S; Sokolov, V S; Bogulavsky, L I; Jaguzhinsky, L S

    1975-12-04

    The electric properties of the bilayer lecithin membranes have been studied in the presence of the antibiotic nigericin. When the antibiotic concentration is about 10(-7) ohm-1 cm-2. The potassium ion concentration gradient gives rise to a transmembrane potential of the order of 40 mV per 10-fold concentration gradient with the side of the higher potassium concentration negative. The transmembrane potential produced by the hydrogen ion concentration gradient is a function of the potassium ion concentration which is equal on both sides of the membrane. For low potassium ion concentrations the hydrogen potential has the expected polarity with the solution having higher concentration of protons negative. For potassium ion concentrations exceeding 0.03 M the hydrogen potential has the reverse polarity. This unexpected result cannot be accounted for in terms of the available simple hypotheses about the charge transport mechanism for nigericin in BLM. In order to account for the experimental results obtained, a theoretical approach has been developed based on the assumption that charge is transported across the membrane by nigericin dimers. The theoretical predicitons are in satisfactory agreement with the experimental results. The model also yields some predictions which may be verified in future experiments.

  17. Coincidence studies of capture and ionization in highly charged Iq+-He and Uq+-He collisions at medium velocities

    NASA Astrophysics Data System (ADS)

    Datz, S.; Hippler, R.; Andersen, L. H.; Dittner, P. F.; Knudsen, H.; Krause, H. F.; Miller, P. D.; Pepmiller, P. L.; Rosseel, T.; Schuch, R.; Stolterfoht, N.; Yamazaki, Y.; Vane, C. R.

    1990-04-01

    Electron capture and ionization processes were investigated for Iq+-He and Uq+-He collisions at incident energies 0.1-1.0 MeV/nucleon and for incident charge states q=5-44. Cross sections for single-electron capture, transfer ionization, single ionization, and double ionization were obtained using a projectile-ion recoil-ion coincidence technique. A pronounced interplay among the different electronic processes was observed. Cross sections for single ionization show a rather weak charge-state dependence, in disagreement with recent calculations of McKenzie and Olson [Phys. Rev. A 35, 2863 (1987)]. In a second experiment, photon recoil-ion coincidences were measured to obtain partial cross sections for capture into certain projectile n states. These measurements provide strong evidence that transfer ionization populates lower projectile n states than does single-electron capture. Zero-degree electron spectroscopy, coincident with charge capture for 0.5 MeV/nucleon U30+ projectiles revealed that the free electron in transfer ionization is released from the projectile to its continuum and from high-lying Rydberg states of the projectile.

  18. Two components in charged particle production in heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Bylinkin, A. A.; Chernyavskaya, N. S.; Rostovtsev, A. A.

    2016-02-01

    Transverse momentum spectra of charged particle production in heavy-ion collisions are considered in terms of a recently introduced Two Component parameterization combining exponential (;soft;) and power-law (;hard;) functional forms. The charged hadron densities calculated separately for them are plotted versus number of participating nucleons, Npart. The obtained dependences are discussed and the possible link between the two component parameterization introduced by the authors and the two component model historically used for the case of heavy-ion collisions is established. Next, the variations of the parameters of the introduced approach with the center of mass energy and centrality are studied using the available data from RHIC and LHC experiments. The spectra shapes are found to show universal dependences on Npart for all investigated collision energies.

  19. Charged kaon femtoscopic correlations in pp collisions at s=7TeV

    NASA Astrophysics Data System (ADS)

    Abelev, B.; Adam, J.; Adamová, D.; Adare, A. M.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agocs, A. G.; Agostinelli, A.; Ahammed, Z.; Ahmad, N.; Ahmad Masoodi, A.; Ahn, S. U.; Ahn, S. A.; Ajaz, M.; Akindinov, A.; Aleksandrov, D.; Alessandro, B.; Alici, A.; Alkin, A.; Almaráz Aviña, E.; Alme, J.; Alt, T.; Altini, V.; Altinpinar, S.; Altsybeev, I.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Anson, C.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arbor, N.; Arcelli, S.; Arend, A.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Asryan, A.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Äystö, J.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bailhache, R.; Bala, R.; Baldini Ferroli, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Bán, J.; Baral, R. C.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartke, J.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batyunya, B.; Baumann, C.; Bearden, I. G.; Beck, H.; Behera, N. K.; Belikov, I.; Bellini, F.; Bellwied, R.; Belmont-Moreno, E.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bergognon, A. A. E.; Berzano, D.; Betev, L.; Bhasin, A.; Bhati, A. K.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Bjelogrlic, S.; Blanco, F.; Blanco, F.; Blau, D.; Blume, C.; Boccioli, M.; Böttger, S.; Bogdanov, A.; Bøggild, H.; Bogolyubsky, M.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Bossú, F.; Botje, M.; Botta, E.; Braidot, E.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Browning, T. A.; Broz, M.; Brun, R.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Caffarri, D.; Cai, X.; Caines, H.; Calvo Villar, E.; Camerini, P.; Canoa Roman, V.; Cara Romeo, G.; Carena, F.; Carena, W.; Carlin Filho, N.; Carminati, F.; Casanova Díaz, A.; Castillo Castellanos, J.; Castillo Hernandez, J. F.; Casula, E. A. R.; Catanescu, V.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chawla, I.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Coccetti, F.; Colamaria, F.; Colella, D.; Collu, A.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contin, G.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortese, P.; Cortés Maldonado, I.; Cosentino, M. R.; Costa, F.; Cotallo, M. E.; Crescio, E.; Crochet, P.; Cruz Alaniz, E.; Cuautle, E.; Cunqueiro, L.; Dainese, A.; Dalsgaard, H. H.; Danu, A.; Das, S.; Das, I.; Das, D.; Das, K.; Dash, A.; Dash, S.; De, S.; de Barros, G. O. V.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; Delagrange, H.; Deloff, A.; De Marco, N.; Dénes, E.; De Pasquale, S.; Deppman, A.; D Erasmo, G.; de Rooij, R.; Diaz Corchero, M. A.; Di Bari, D.; Dietel, T.; Di Giglio, C.; Di Liberto, S.; Di Mauro, A.; Di Nezza, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Dönigus, B.; Dordic, O.; Driga, O.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Dutta Majumdar, A. K.; Dutta Majumdar, M. R.; Elia, D.; Emschermann, D.; Engel, H.; Erazmus, B.; Erdal, H. A.; Espagnon, B.; Estienne, M.; Esumi, S.; Evans, D.; Eyyubova, G.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fearick, R.; Fehlker, D.; Feldkamp, L.; Felea, D.; Feliciello, A.; Fenton-Olsen, B.; Feofilov, G.; Fernández Téllez, A.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floratos, E.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Garabatos, C.; Garcia-Solis, E.; Garishvili, I.; Gerhard, J.; Germain, M.; Geuna, C.; Gheata, M.; Gheata, A.; Ghosh, P.; Gianotti, P.; Girard, M. R.; Giubellino, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez, R.; Ferreiro, E. G.; González-Trueba, L. H.; González-Zamora, P.; Gorbunov, S.; Goswami, A.; Gotovac, S.; Graczykowski, L. K.; Grajcarek, R.; Grelli, A.; Grigoras, C.; Grigoras, A.; Grigoriev, V.; Grigoryan, S.; Grigoryan, A.; Grinyov, B.; Grion, N.; Gros, P.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Guilbaud, M.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Han, B. H.; Hanratty, L. D.; Hansen, A.; Harmanová-Tóthová, Z.; Harris, J. W.; Hartig, M.; Harton, A.; Hasegan, D.; Hatzifotiadou, D.; Hayashi, S.; Hayrapetyan, A.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Herrmann, N.; Hess, B. A.; Hetland, K. F.; Hicks, B.; Hippolyte, B.; Hori, Y.; Hristov, P.; Hřivnáčová, I.; Huang, M.; Humanic, T. J.; Hwang, D. S.; Ichou, R.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Incani, E.; Innocenti, G. M.; Innocenti, P. G.; Ippolitov, M.; Irfan, M.; Ivan, C.; Ivanov, V.; Ivanov, A.; Ivanov, M.; Ivanytskyi, O.; Jachołkowski, A.; Jacobs, P. M.; Jang, H. J.; Janik, M. A.; Janik, R.; Jayarathna, P. H. S. Y.; Jena, S.; Jha, D. M.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kaidalov, A. B.; Kalcher, S.; Kaliňák, P.; Kalliokoski, T.; Kalweit, A.; Kang, J. H.; Kaplin, V.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kazantsev, A.; Kebschull, U.; Keidel, R.; Khan, M. M.; Khan, P.; Khan, K. H.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, S.; Kim, M.; Kim, M.; Kim, J. S.; Kim, J. H.; Kim, D. W.; Kim, B.; Kim, D. J.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Klay, J. L.; Klein, J.; Klein-Bösing, C.; Kliemant, M.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Köhler, M. K.; Kollegger, T.; Kolojvari, A.; Kompaniets, M.; Kondratiev, V.; Kondratyeva, N.; Konevskikh, A.; Kour, R.; Kovalenko, V.; Kowalski, M.; Kox, S.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kramer, F.; Kravčáková, A.; Krawutschke, T.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Krus, M.; Kryshen, E.; Krzewicki, M.; Kucheriaev, Y.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kurashvili, P.; Kurepin, A. B.; Kurepin, A.; Kuryakin, A.; Kushpil, V.; Kushpil, S.; Kvaerno, H.; Kweon, M. J.; Kwon, Y.; Ladrón de Guevara, P.; Lakomov, I.; Langoy, R.; La Pointe, S. L.; Lara, C.; Lardeux, A.; La Rocca, P.; Lea, R.; Lechman, M.; Lee, G. R.; Lee, K. S.; Lee, S. C.; Legrand, I.; Lehnert, J.; Lenhardt, M.; Lenti, V.; León, H.; León Monzón, I.; León Vargas, H.; Lévai, P.; Li, S.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Lohner, D.; Loizides, C.; Loo, K. K.; Lopez, X.; López Torres, E.; Løvhøiden, G.; Lu, X.-G.; Luettig, P.; Lunardon, M.; Luo, J.; Luparello, G.; Luzzi, C.; Ma, K.; Ma, R.; Madagodahettige-Don, D. M.; Maevskaya, A.; Mager, M.; Mahapatra, D. P.; Maire, A.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Mangotra, L.; Manko, V.; Manso, F.; Manzari, V.; Mao, Y.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Marín, A.; Markert, C.; Marquard, M.; Martashvili, I.; Martin, N. A.; Martinengo, P.; Martínez, M. I.; Martínez Davalos, A.; Martínez García, G.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Matthews, Z. L.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; Meddi, F.; Menchaca-Rocha, A.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mikhailov, K.; Milano, L.; Milosevic, J.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitu, C.; Mizuno, S.; Mlynarz, J.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Monteno, M.; Montes, E.; Moon, T.; Morando, M.; Moreira De Godoy, D. A.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Muhuri, S.; Mukherjee, M.; Müller, H.; Munhoz, M. G.; Musa, L.; Musinsky, J.; Musso, A.; Nandi, B. K.; Nania, R.; Nappi, E.; Nattrass, C.; Navin, S.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nicassio, M.; Niculescu, M.; Nielsen, B. S.; Niida, T.; Nikolaev, S.; Nikolic, V.; Nikulin, S.; Nikulin, V.; Nilsen, B. S.; Nilsson, M. S.; Noferini, F.; Nomokonov, P.; Nooren, G.; Novitzky, N.; Nyanin, A.; Nyatha, A.; Nygaard, C.; Nystrand, J.; Ochirov, A.; Oeschler, H.; Oh, S. K.; Oh, S.; Oleniacz, J.; Oliveira Da Silva, A. C.; Oppedisano, C.; Ortiz Velasquez, A.; Oskarsson, A.; Ostrowski, P.; Otwinowski, J.; Oyama, K.; Ozawa, K.; Pachmayer, Y.; Pachr, M.; Padilla, F.; Pagano, P.; Paić, G.; Painke, F.; Pajares, C.; Pal, S. K.; Palaha, A.; Palmeri, A.; Papikyan, V.; Pappalardo, G. S.; Park, W. J.; Passfeld, A.; Patalakha, D. I.; Paticchio, V.; Paul, B.; Pavlinov, A.; Pawlak, T.; Peitzmann, T.; Pereira Da Costa, H.; Pereira De Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Perini, D.; Perrino, D.; Peryt, W.; Pesci, A.; Peskov, V.; Pestov, Y.; Petráček, V.; Petran, M.; Petris, M.; Petrov, P.; Petrovici, M.; Petta, C.; Piano, S.; Piccotti, A.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Pitz, N.; Piyarathna, D. B.; Planinic, M.; Płoskoń, M.; Pluta, J.; Pocheptsov, T.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polák, K.; Polichtchouk, B.; Pop, A.; Porteboeuf-Houssais, S.; Pospíšil, V.; Potukuchi, B.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puddu, G.; Punin, V.; Putiš, M.; Putschke, J.; Quercigh, E.; Qvigstad, H.; Rachevski, A.; Rademakers, A.; Räihä, T. S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Ramírez Reyes, A.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reicher, M.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riccati, L.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Rosnet, P.; Rossegger, S.; Rossi, A.; Roy, P.; Roy, C.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahoo, R.; Sahu, P. K.; Saini, J.; Sakaguchi, H.; Sakai, S.; Sakata, D.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Šándor, L.; Sandoval, A.; Sano, M.; Santagati, G.; Santoro, R.; Sarkamo, J.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, H. R.; Schmidt, C.; Schuchmann, S.; Schukraft, J.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, P. A.; Scott, R.; Segato, G.; Selyuzhenkov, I.; Senyukov, S.; Seo, J.; Serci, S.; Serradilla, E.; Sevcenco, A.; Shabetai, A.; Shabratova, G.; Shahoyan, R.; Sharma, S.; Sharma, N.; Rohni, S.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Sicking, E.; Siddhanta, S.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, T.; Sinha, B. C.; Sitar, B.; Sitta, M.; Skaali, T. B.; Skjerdal, K.; Smakal, R.; Smirnov, N.; Snellings, R. J. M.; Søgaard, C.; Soltz, R.; Son, H.; Song, M.; Song, J.; Soos, C.; Soramel, F.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Stolpovskiy, M.; Strmen, P.; Suaide, A. A. P.; Subieta Vásquez, M. A.; Sugitate, T.; Suire, C.; Sultanov, R.; Šumbera, M.; Susa, T.; Symons, T. J. M.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szostak, A.; Szymański, M.; Takahashi, J.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tarazona Martinez, A.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terrevoli, C.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Tlusty, D.; Toia, A.; Torii, H.; Toscano, L.; Trubnikov, V.; Truesdale, D.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ulery, J.; Ullaland, K.; Ulrich, J.; Uras, A.; Urbán, J.; Urciuoli, G. M.; Usai, G. L.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; Vande Vyvre, P.; van Leeuwen, M.; Vannucci, L.; Vargas, A.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vechernin, V.; Veldhoen, M.; Venaruzzo, M.; Vercellin, E.; Vergara, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, Y.; Vinogradov, L.; Vinogradov, A.; Virgili, T.; Viyogi, Y. P.; Vodopyanov, A.; Voloshin, K.; Voloshin, S.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, V.; Wagner, B.; Wan, R.; Wang, D.; Wang, M.; Wang, Y.; Wang, Y.; Watanabe, K.; Weber, M.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, A.; Wilk, G.; Williams, M. C. S.; Windelband, B.; Xaplanteris Karampatsos, L.; Yaldo, C. G.; Yamaguchi, Y.; Yang, H.; Yang, S.; Yasnopolskiy, S.; Yi, J.; Yin, Z.; Yoo, I.-K.; Yoon, J.; Yu, W.; Yuan, X.; Yushmanov, I.; Zaccolo, V.; Zach, C.; Zampolli, C.; Zaporozhets, S.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zelnicek, P.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhou, D.; Zhou, Y.; Zhou, F.; Zhu, J.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zinovjev, G.; Zoccarato, Y.; Zynovyev, M.; Zyzak, M.

    2013-03-01

    Correlations of two charged identical kaons (KchKch) are measured in pp collisions at s=7TeV by the ALICE experiment at the Large Hadron Collider (LHC). One-dimensional KchKch correlation functions are constructed in three multiplicity and four transverse momentum ranges. The KchKch femtoscopic source parameters R and λ are extracted. The KchKch correlations show a slight increase of femtoscopic radii with increasing multiplicity and a slight decrease of radii with increasing transverse momentum. These trends are similar to the ones observed for ππ and Ks0Ks0 correlations in pp and heavy-ion collisions. However at high multiplicities, there is an indication that the one-dimensional correlation radii for charged kaons are larger than those for pions in contrast to what was observed in heavy-ion collisions at the Relativistic Heavy-Ion Collider.

  20. Transverse momentum dependence of inclusive primary charged-particle production in p-Pb collisions at

    NASA Astrophysics Data System (ADS)

    Abelev, B.; Adam, J.; Adamová, D.; Aggarwal, M. M.; Agnello, M.; Agostinelli, A.; Agrawal, N.; Ahammed, Z.; Ahmad, N.; Ahmed, I.; Ahn, S. U.; Ahn, S. A.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Baral, R. C.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartke, J.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Baumann, C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bellwied, R.; Belmont-Moreno, E.; Belmont, R.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Berger, M. E.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Bogolyubsky, M.; Böhmer, F. V.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Castillo Castellanos, J.; Casula, E. A. R.; Catanescu, V.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortese, P.; Cortés Maldonado, I.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dainese, A.; Dang, R.; Danu, A.; Das, D.; Das, I.; Das, K.; Das, S.; Dash, A.; Dash, S.; De, S.; Delagrange, H.; Deloff, A.; Dénes, E.; D'Erasmo, G.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; de Rooij, R.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Di Bari, D.; Di Liberto, S.; Di Mauro, A.; Di Nezza, P.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Dørheim, S.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Dutta Majumdar, A. K.; Hilden, T. E.; Ehlers, R. J.; Elia, D.; Engel, H.; Erazmus, B.; Erdal, H. A.; Eschweiler, D.; Espagnon, B.; Esposito, M.; Estienne, M.; Esumi, S.; Evans, D.; Evdokimov, S.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fehlker, D.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floratos, E.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Garishvili, I.; Gerhard, J.; Germain, M.; Gheata, A.; Gheata, M.; Ghidini, B.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez Ramirez, A.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Graczykowski, L. K.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Gronefeld, J. M.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Guilbaud, M.; Gulbrandsen, K.; Gulkanyan, H.; Gumbo, M.; Gunji, T.; Gupta, A.; Gupta, R.; Khan, K. H.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hanratty, L. D.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hippolyte, B.; Hladky, J.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Innocenti, G. M.; Ionita, C.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Jachołkowski, A.; Jacobs, P. M.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kadyshevskiy, V.; Kalcher, S.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Khan, M. M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Kofarago, M.; Köhler, M. K.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Konevskikh, A.; Kovalenko, V.; Kowalski, M.; Kox, S.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kramer, F.; Kravčáková, A.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kučera, V.; Kucheriaev, Y.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; Ladron de Guevara, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; La Pointe, S. L.; La Rocca, P.; Lea, R.; Leardini, L.; Lee, G. R.; Legrand, I.; Lehnert, J.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; Leoncino, M.; León Monzón, I.; Lévai, P.; Li, S.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Lohner, D.; Loizides, C.; Lopez, X.; López Torres, E.; Lu, X.-G.; Luettig, P.; Lunardon, M.; Luparello, G.; Ma, R.; Maevskaya, A.; Mager, M.; Mahapatra, D. P.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Marín, A.; Markert, C.; Marquard, M.; Martashvili, I.; Martin, N. A.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martin Blanco, J.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; Meddi, F.; Menchaca-Rocha, A.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mlynarz, J.; Mohammadi, N.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Morando, M.; Moreira De Godoy, D. A.; Moretto, S.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Müller, H.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Nattrass, C.; Nayak, K.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nicassio, M.; Niculescu, M.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Nilsen, B. S.; Noferini, F.; Nomokonov, P.; Nooren, G.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Okatan, A.; Olah, L.; Oleniacz, J.; Oliveira Da Silva, A. C.; Onderwaater, J.; Oppedisano, C.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Sahoo, P.; Pachmayer, Y.; Pachr, M.; Pagano, P.; Paić, G.; Painke, F.; Pajares, C.; Pal, S. K.; Palmeri, A.; Pant, D.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Patalakha, D. I.; Paticchio, V.; Paul, B.; Pawlak, T.; Peitzmann, T.; Pereira Da Costa, H.; Pereira De Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Pesci, A.; Peskov, V.; Pestov, Y.; Petráček, V.; Petran, M.; Petris, M.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Pohjoisaho, E. H. O.; Polichtchouk, B.; Poljak, N.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Potukuchi, B.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Rauf, A. W.; Razazi, V.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reicher, M.; Reidt, F.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Rivetti, A.; Rocco, E.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohni, S.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, R.; Sahu, P. K.; Saini, J.; Sakai, S.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Sánchez Rodríguez, F. J.; Šándor, L.; Sandoval, A.; Sano, M.; Santagati, G.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Segato, G.; Seger, J. E.; Sekiguchi, Y.; Selyuzhenkov, I.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabetai, A.; Shabratova, G.; Shahoyan, R.; Shangaraev, A.; Sharma, N.; Sharma, S.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Skjerdal, K.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Soramel, F.; Sorensen, S.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Stolpovskiy, M.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Susa, T.; Symons, T. J. M.; Szabo, A.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Takahashi, J.; Tangaro, M. A.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tarazona Martinez, A.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terrevoli, C.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; Vande Vyvre, P.; Van Der Maarel, J.; Van Hoorne, J. W.; van Leeuwen, M.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vechernin, V.; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wagner, V.; Wang, M.; Wang, Y.; Watanabe, D.; Weber, M.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yaldo, C. G.; Yamaguchi, Y.; Yang, H.; Yang, P.; Yang, S.; Yano, S.; Yasnopolskiy, S.; Yi, J.; Yin, Z.; Yoo, I.-K.; Yushmanov, I.; Zaccolo, V.; Zach, C.; Zaman, A.; Zampolli, C.; Zaporozhets, S.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, F.; Zhou, Y.; Zhuo, Zhou; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zoccarato, Y.; Zyzak, M.

    2014-09-01

    The transverse momentum ($p_{\\mathrm T}$) distribution of primary charged particles is measured at midrapidity in minimum-bias p-Pb collisions at $\\sqrt{s_{\\mathrm{NN}}}=5.02$ TeV with the ALICE detector at the LHC in the range $0.15collision scaling of particle production in pp collisions, leading to a nuclear modification factor consistent with unity for $p_{\\mathrm T}$ larger than 2 GeV/$c$, with a weak indication of a Cronin-like enhancement for $p_{\\rm T}$ around 4 GeV/$c$. The measurement is compared to theoretical calculations and to data in Pb-Pb collisions at $\\sqrt{s_{\\mathrm{NN}}}=2.76$ TeV.

  1. CHARGED PARTICLE PRODUCTION AT HIGH RAPIDITY IN p+p COLLISIONS AT RHIC.

    SciTech Connect

    DEBBE,R.

    2006-05-30

    This report describes the recent analysis of identified charged particle production at high rapidity performed on data collected from p+p collisions at RHIC ({radical}s = 200 GeV). The extracted invariant cross-sections compare well to NLO pQCD calculations. However, a puzzling high yield of protons at high rapidity and p{sub T} has been found.

  2. Dynamical derivation of momentum diffusion coefficients at collisions of relativistic charged particles

    SciTech Connect

    Ognivenko, V. V.

    2016-01-15

    An expression has been obtained for the diffusion tensor of particles in the momentum space on the basis of the dynamics of particles motion. The general equations have been used to determine the rms momentum spread at collisions of relativistic charged particles at times shorter than the time of randomization of particles motion and at greater times when motion is completely random.

  3. Atomic collision experiments utilizing low-velocity, highly-charged ion beams

    SciTech Connect

    Johnson, B.M.; Jones, K.W.; Meron, M.

    1982-01-01

    Intense beams of highly-stripped ions are now routinely produced at low velocities using the Brookhaven dual MP-tandens in a unique four-stage accel/decel mode. This mode of operation combines three stages of acceleration, stripping at high energy, and one stage of deceleration to near-zero velocity. To date, experiments have used 10-100 nA beams of bare and few-electron heavy ions at energies as low as 0.2 MeV/amu, and upgrades of the facility should push the lower limit below 0.1 MeV/amu. Recent experiments, such as measurements of charge transfer and x-ray production for S/sup 6-16+/ on He and Ar at 6 to 20 MeV and P(b) measurements for MO x-rays produced in Cl/sup 16 +/ + Ar collisions at 20, 10, and 5 MeV have demonstrated the usefulness of highly-stripped, low-velocity projectiles. These experiments and a few possibilities for future experiments are discussed.

  4. Near-resonant versus nonresonant chemiluminescent charge-transfer reactions of atomic ions with HCl

    NASA Astrophysics Data System (ADS)

    Glenewinkel-Meyer, Th.; Ottinger, Ch.

    1994-01-01

    Charge-transfer reactions of C+, O+, F+, Ar+ and some other atomic ions with hydrogen chloride were investigated at collision energies between <1 eV and 1 keV. The electronically excited products HCl+ (A 2Σ+) were detected by means of the A 2Σ+→X 2Πi optical emission. In some cases the spectra showed, at low collision energies, an enhanced excitation of specific vibrational HCl+(A,v') levels: for C+, v'=1; for O+, v'=3 as well as v'=1; and for F+, v'=6. These levels are populated in near-resonant, slightly exothermic processes. Their rotational temperature was on the order of 600-700 K. For the other vibrational levels the excitation is off-resonance, mostly endothermic, and here the rotational temperature was 1000-4000 K. Corresponding data are also given for DCl. The selectivity for certain vibrational states is explained by crossings between the vibronic entrance and exit state energy surfaces, calculated from classical electrostatic multipole potentials. The cross sections for the near-resonant reactions decrease monotonically with increasing collision energy, while for the endothermic channels they rise steeply from threshold to a plateau. With argon ions the excitation function exhibits an unusual shape. Here the charge-transfer cross sections for all vibrational levels go through a maximum just above threshold, which is followed by a distinct minimum at about 10 eVc.m.. This may be due to formation of a long-lived collision complex (Ar-HCl)+.

  5. Search for fractionally charged particles in pp collisions at s=7TeV

    NASA Astrophysics Data System (ADS)

    Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Aguilo, E.; Bergauer, T.; Dragicevic, M.; Erö, J.; Fabjan, C.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hammer, J.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knünz, V.; Krammer, M.; Krätschmer, I.; Liko, D.; Mikulec, I.; Pernicka, M.; Rahbaran, B.; Rohringer, C.; Rohringer, H.; Schöfbeck, R.; Strauss, J.; Taurok, A.; Waltenberger, W.; Walzel, G.; Widl, E.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Bansal, M.; Bansal, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Luyckx, S.; Mucibello, L.; Ochesanu, S.; Roland, B.; Rougny, R.; Selvaggi, M.; Staykova, Z.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Blekman, F.; Blyweert, S.; D'Hondt, J.; Gonzalez Suarez, R.; Kalogeropoulos, A.; Maes, M.; Olbrechts, A.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.; Clerbaux, B.; De Lentdecker, G.; Dero, V.; Gay, A. P. R.; Hreus, T.; Léonard, A.; Marage, P. E.; Mohammadi, A.; Reis, T.; Thomas, L.; Vander Marcken, G.; Vander Velde, C.; Vanlaer, P.; Wang, J.; Adler, V.; Beernaert, K.; Cimmino, A.; Costantini, S.; Garcia, G.; Grunewald, M.; Klein, B.; Lellouch, J.; Marinov, A.; Mccartin, J.; Ocampo Rios, A. A.; Ryckbosch, D.; Strobbe, N.; Thyssen, F.; Tytgat, M.; Verwilligen, P.; Walsh, S.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Bruno, G.; Castello, R.; Ceard, L.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Lemaitre, V.; Liao, J.; Militaru, O.; Nuttens, C.; Pagano, D.; Pin, A.; Piotrzkowski, K.; Schul, N.; Vizan Garcia, J. M.; Beliy, N.; Caebergs, T.; Daubie, E.; Hammad, G. H.; Alves, G. A.; Correa Martins Junior, M.; De Jesus Damiao, D.; Martins, T.; Pol, M. E.; Souza, M. H. G.; Aldá Júnior, W. L.; Carvalho, W.; Custódio, A.; Da Costa, E. M.; De Oliveira Martins, C.; Fonseca De Souza, S.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Oguri, V.; Prado Da Silva, W. L.; Santoro, A.; Soares Jorge, L.; Sznajder, A.; Anjos, T. S.; Bernardes, C. A.; Dias, F. A.; Tomei, T. R. Fernandez Perez; Gregores, E. M.; Lagana, C.; Marinho, F.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.; Genchev, V.; Iaydjiev, P.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Tcholakov, V.; Trayanov, R.; Vutova, M.; Dimitrov, A.; Hadjiiska, R.; Kozhuharov, V.; Litov, L.; Pavlov, B.; Petkov, P.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Jiang, C. H.; Liang, D.; Liang, S.; Meng, X.; Tao, J.; Wang, J.; Wang, X.; Wang, Z.; Xiao, H.; Xu, M.; Zang, J.; Zhang, Z.; Asawatangtrakuldee, C.; Ban, Y.; Guo, Y.; Li, W.; Liu, S.; Mao, Y.; Qian, S. J.; Teng, H.; Wang, D.; Zhang, L.; Zou, W.; Avila, C.; Gomez, J. P.; Gomez Moreno, B.; Osorio Oliveros, A. F.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Plestina, R.; Polic, D.; Puljak, I.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Duric, S.; Kadija, K.; Luetic, J.; Morovic, S.; Attikis, A.; Galanti, M.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Finger, M.; Finger, M., Jr.; Assran, Y.; Elgammal, S.; Ellithi Kamel, A.; Khalil, S.; Mahmoud, M. A.; Radi, A.; Kadastik, M.; Müntel, M.; Raidal, M.; Rebane, L.; Tiko, A.; Eerola, P.; Fedi, G.; Voutilainen, M.; Härkönen, J.; Heikkinen, A.; Karimäki, V.; Kinnunen, R.; Kortelainen, M. J.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Mäenpää, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Ungaro, D.; Wendland, L.; Banzuzi, K.; Karjalainen, A.; Korpela, A.; Tuuva, T.; Besancon, M.; Choudhury, S.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Malcles, J.; Millischer, L.; Nayak, A.; Rander, J.; Rosowsky, A.; Shreyber, I.; Titov, M.; Baffioni, S.; Beaudette, F.; Benhabib, L.; Bianchini, L.; Bluj, M.; Broutin, C.; Busson, P.; Charlot, C.; Daci, N.; Dahms, T.; Dobrzynski, L.; Granier de Cassagnac, R.; Haguenauer, M.; Miné, P.; Mironov, C.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Paganini, P.; Sabes, D.; Salerno, R.; Sirois, Y.; Veelken, C.; Zabi, A.; Agram, J.-L.; Andrea, J.; Bloch, D.; Bodin, D.; Brom, J.-M.; Cardaci, M.; Chabert, E. C.; Collard, C.; Conte, E.; Drouhin, F.; Ferro, C.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Juillot, P.; Le Bihan, A.-C.; Van Hove, P.; Fassi, F.; Mercier, D.; Beauceron, S.; Beaupere, N.; Bondu, O.; Boudoul, G.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Sgandurra, L.; Sordini, V.; Tschudi, Y.; Verdier, P.; Viret, S.; Tsamalaidze, Z.; Anagnostou, G.; Autermann, C.; Beranek, S.; Edelhoff, M.; Feld, L.; Heracleous, N.; Hindrichs, O.

    2013-05-01

    A search is presented for free heavy long-lived fractionally charged particles produced in pp collisions at s=7TeV. The data sample was recorded by the CMS detector at the LHC and corresponds to an integrated luminosity of 5.0fb-1. Candidate fractionally charged particles are identified by selecting tracks with associated low charge measurements in the silicon tracking detector. Observations are found to be consistent with expectations for background processes. The results of the search are used to set upper limits on the cross section for pair production of fractionally charged, massive spin-1/2 particles that are neutral under SU(3)C and SU(2)L. We exclude at 95% confidence level such particles with electric charge ±2e/3 with masses below 310 GeV, and those with charge ±e/3 with masses below 140 GeV.

  6. Intramolecular Charge Transfer States in the Condensed Phase

    NASA Astrophysics Data System (ADS)

    Williams, C. F.; Herbert, J. M.

    2009-06-01

    Time-Dependent Density Functional Theory (TDDFT) with long range corrected functionals can give accurate results for the energies of electronically excited states involving Intramolecular Charge Transfer (ICT) in large molecules. If this is combined with a Molecular Mechanics (MM) representation of the surrounding solvent this technique can be used to interpret the results of condensed phase UV-Vis Spectroscopy. Often the MM region is represented by a set of point charges, however this means that the solvent cannot repolarize to adapt to the new charge distribution as a result of ICT and so the excitation energies to ICT states are overestimated. To solve this problem an algorithm that interfaces TDDFT with the polarizable force-field AMOEBA is presented; the effect of solvation on charge transfer in species such as 4,4'dimethylaminobenzonitrile (DMABN) is discussed. M.A. Rohrdanz, K.M. Martins, and J.M. Herbert, J. Chem. Phys. 130 034107 (2008).

  7. Charge transfer properties of pentacene adsorbed on silver: DFT study

    SciTech Connect

    N, Rekha T.; Rajkumar, Beulah J. M.

    2015-06-24

    Charge transfer properties of pentacene adsorbed on silver is investigated using DFT methods. Optimized geometry of pentacene after adsorption on silver indicates distortion in hexagonal structure of the ring close to the silver cluster and deviations in co-planarity of carbon atoms due to the variations in bond angles and dihedral angles. Theoretically simulated absorption spectrum has a symmetric surface plasmon resonance peak around 486nm corresponding to the transfer of charge from HOMO-2 to LUMO. Theoretical SERS confirms the process of adsorption, tilted orientation of pentacene on silver surface and the charge transfers reported. Localization of electron density arising from redistribution of electrostatic potential together with a reduced bandgap of pentacene after adsorption on silver suggests its utility in the design of electro active organic semiconducting devices.

  8. Charge transfer driven emergent phenomena in oxide heterostructures

    NASA Astrophysics Data System (ADS)

    Chen, Hanghui; Millis, Andrew

    2017-06-01

    Complex oxides exhibit many intriguing phenomena, including metal-insulator transition, ferroelectricity/multiferroicity, colossal magnetoresistance and high transition temperature superconductivity. Advances in epitaxial thin film growth techniques enable us to combine different complex oxides with atomic precision and form an oxide heterostructure. Recent theoretical and experimental work has shown that charge transfer across oxide interfaces generally occurs and leads to a great diversity of emergent interfacial properties which are not exhibited by bulk constituents. In this report, we review mechanisms and physical consequence of charge transfer across interfaces in oxide heterostructures. Both theoretical proposals and experimental measurements of various oxide heterostructures are discussed and compared. We also review the theoretical methods that are used to calculate charge transfer across oxide interfaces and discuss the success and challenges in theory. Finally, we present a summary and perspectives for future research.

  9. Charge transfer in helium-rich supernova plasma

    NASA Technical Reports Server (NTRS)

    Swartz, Douglas A.

    1994-01-01

    Charge transfer rate coefficients are estimated using Landau-Zener and modified Demkov approximations. The coefficients, augmented by those available from the literature, are used in statistical equilibrium equations describing the state of helium-rich supernova plasma. Such a plasma may describe both Type Ib and Type Ic supernova ejecta. The hypothesis that extensive mixing of metals with helium in Type Ic supernovae may provide a catalyst for rapid charge transfer that weakens the helium line emission by altering the excitation balance is tested. It is shown that charge transfer as a mechanism for suppressing helium line emission is ineffective unless the metal abundance is comparable to or larger than the helium abundance. This result supports an earlier conclusion that Type Ic supernovae must be helium poor relative to Type Ib events.

  10. Multiple-charge transfer and trapping in DNA dimers

    NASA Astrophysics Data System (ADS)

    Tornow, Sabine; Bulla, Ralf; Anders, Frithjof B.; Zwicknagl, Gertrud

    2010-11-01

    We investigate the charge transfer characteristics of one and two excess charges in a DNA base-pair dimer using a model Hamiltonian approach. The electron part comprises diagonal and off-diagonal Coulomb matrix elements such a correlated hopping and the bond-bond interaction, which were recently calculated by Starikov [E. B. Starikov, Philos. Mag. Lett. 83, 699 (2003)10.1080/0950083031000151374] for different DNA dimers. The electronic degrees of freedom are coupled to an ohmic or a superohmic bath serving as dissipative environment. We employ the numerical renormalization group method in the nuclear tunneling regime and compare the results to Marcus theory for the thermal activation regime. For realistic parameters, the rate that at least one charge is transferred from the donor to the acceptor in the subspace of two excess electrons significantly exceeds the rate in the single charge sector. Moreover, the dynamics is strongly influenced by the Coulomb matrix elements. We find sequential and pair transfer as well as a regime where both charges remain self-trapped. The transfer rate reaches its maximum when the difference of the on-site and intersite Coulomb matrix element is equal to the reorganization energy which is the case in a guanine/cytosine (GC)-dimer. Charge transfer is completely suppressed for two excess electrons in adenine/thymine (AT)-dimer in an ohmic bath and replaced by damped coherent electron-pair oscillations in a superohmic bath. A finite bond-bond interaction W alters the transfer rate: it increases as function of W when the effective Coulomb repulsion exceeds the reorganization energy (inverted regime) and decreases for smaller Coulomb repulsion.

  11. Charge transfer to a semi-esterified bifunctional phenol

    NASA Astrophysics Data System (ADS)

    Brede, O.; Hermann, R.; Orthner, H.

    1996-03-01

    The charge transfer from solvent radical cations of n-butyl chloride and cyclohexane to 2-butyl-6(3'-t-butyl-2'-hydroxy-5'-methylbenzyl)-4-methyl-phenylacrylate (GM) yields in the first step phenoxyl radicals as well as acrylate radical cations of this semi-acrylated bifunctional phenol. Subsequently an intramolecular charge transfer from the acrylate radical cation to the phenol group takes place. Because of the instability of phenol radical cations, under our experimental conditions (nanosecond pulse radiolysis, non-polar solvents, room temperature) phenoxyl radicals are the only observable products of phenol ionization.

  12. Ultrafast investigation of photoinduced charge transfer in aminoanthraquinone pharmaceutical product

    NASA Astrophysics Data System (ADS)

    Zhang, Song; Sun, Simei; Zhou, Miaomiao; Wang, Lian; Zhang, Bing

    2017-02-01

    We investigated the mechanism of intramolecular charge transfer and the following radiationless dynamics of the excited states of 1-aminoanthraquinone using steady state and time-resolved absorption spectroscopy combined with quantum chemical calculations. Following photoexcitation with 460 nm, conformational relaxation via twisting of the amino group, charge transfer and the intersystem crossing (ISC) processes have been established to be the major relaxation pathways responsible for the ultrafast nonradiative of the excited S1 state. Intramolecular proton transfer, which could be induced by intramolecular hydrogen bonding is inspected and excluded. Time-dependent density functional theory (TDDFT) calculations reveal the change of the dipole moments of the S0 and S1 states along the twisted coordinate of the amino group, indicating the mechanism of twisted intra-molecular charge transfer (TICT). The timescale of TICT is measured to be 5 ps due to the conformational relaxation and a barrier on the S1 potential surface. The ISC from the S1 state to the triplet manifold is a main deactivation pathway with the decay time of 28 ps. Our results observed here have yield a physically intuitive and complete picture of the photoinduced charge transfer and radiationless dynamics in anthraquinone pharmaceutial products.

  13. Ultrafast investigation of photoinduced charge transfer in aminoanthraquinone pharmaceutical product

    PubMed Central

    Zhang, Song; Sun, Simei; Zhou, Miaomiao; Wang, Lian; Zhang, Bing

    2017-01-01

    We investigated the mechanism of intramolecular charge transfer and the following radiationless dynamics of the excited states of 1-aminoanthraquinone using steady state and time-resolved absorption spectroscopy combined with quantum chemical calculations. Following photoexcitation with 460 nm, conformational relaxation via twisting of the amino group, charge transfer and the intersystem crossing (ISC) processes have been established to be the major relaxation pathways responsible for the ultrafast nonradiative of the excited S1 state. Intramolecular proton transfer, which could be induced by intramolecular hydrogen bonding is inspected and excluded. Time-dependent density functional theory (TDDFT) calculations reveal the change of the dipole moments of the S0 and S1 states along the twisted coordinate of the amino group, indicating the mechanism of twisted intra-molecular charge transfer (TICT). The timescale of TICT is measured to be 5 ps due to the conformational relaxation and a barrier on the S1 potential surface. The ISC from the S1 state to the triplet manifold is a main deactivation pathway with the decay time of 28 ps. Our results observed here have yield a physically intuitive and complete picture of the photoinduced charge transfer and radiationless dynamics in anthraquinone pharmaceutial products. PMID:28233835

  14. Charge-Asymmetry Dependence of Proton Elliptic Flow in 200 GeV Au +Au Collisions

    NASA Astrophysics Data System (ADS)

    Smith, Rachel; STAR Collaboration

    2016-09-01

    The chiral magnetic wave (CMW) is predicted to manifest a finite electric quadrupole moment in the quark-gluon plasma produced in high-energy heavy-ion collisions. This quadrupole moment generates a divergence in the azimuthal anisotropy (v2) of positively and negatively charged particles such that v2(+) < v2(-). This effect is proportional to the apparent charge asymmetry (Ach) of particles in the same rapidity window. The Ach dependence of v 2 has already been observed in the cases of charged pions and kaons. We present preliminary STAR measurements of v 2 for protons and anti-protons as a function of Ach from √sNN = 200 GeV Au +Au collisions for different centrality classes. The results are then compared with the previously reported results of pions and kaons. For the STAR Collaboration.

  15. Charge exchange in C^6+ + H and C^6+ + H2 collisions

    NASA Astrophysics Data System (ADS)

    Guevara-Leon, Nicolais; Saha, Bidhan; Sabin, John R.; Deumens, Erik; Ohrn, N. Y.

    2010-03-01

    In the solar wind, C^6+ ion is one of the most abundant ionic species and its interaction with comets as well as the atmosphere of planets of the solar system produces several interesting phenomena. The charge exchange reaction is one of the most relevant process as it may provide a possible explanation for the X-ray emission from these objects. Electron capture into a highly excited state of C^5+ ion usually generates radiation in the X-ray region of the spectrum. In the present work, charge exchange in C^6+ + H and C^6+ + H2 collisions are investigated theoretically using electron nuclear dynamics (END) [1] at projectile energies below the ionization threshold. For H2 the one- and two- electron charge exchange cross sections are calculated and compared with other theoretical and experimental data. Orientation effects for the collision with the hydrogen molecules will also be discussed at the conference.

  16. Simultaneous collision induced dissociation of the charge reduced parent ion during electron capture dissociation.

    PubMed

    Bushey, Jared M; Baba, Takashi; Glish, Gary L

    2009-08-01

    A method of performing collision induced dissociation (CID) on the charge-reduced parent ion as it is formed during electron capture dissociation (ECD), called ECD+CID, is described. In ECD+CID, the charge-reduced parent ion is selectively activated using resonant excitation and collisions with the helium bath gas inside a linear quadrupole ion trap ECD device (ECD(LIT)). It has been observed that ECD+CID can improve the sequence coverage for beta-endorphin over performing ECD alone (i.e., from 72 to 97%). Perhaps just as important, ECD+CID can be used to reduce the extent of multiple electron capture events observed when performing ECD in the ECD(LIT). Consequently, the abundance of mass-to-charge ratios corresponding to ECD product ions that contain neutralized protons is decreased, simplifying the interpretation of the product ion spectrum.

  17. [Dynamics of charge transfer along an oligonucleotide at finite temperature].

    PubMed

    Lakhno, V D; Fialko, N S

    2004-01-01

    The quantum-statistical approach was used to describe the charge transfer in nucleotide sequences. The results of numerical modeling for hole transfer in the GTTGGG sequence with background temperature noise are given. It was shown that, since guanine has an oxidation potential lower than thymine, the hole created at the G donor in this sequence passes through the thymine barrier into the guanine triplet (acceptor) at a time of approximately 10 ps at a temperature of 37 degrees C.

  18. Classical trajectory studies of energy transfer in Ar--difluorodiazirine collisions

    SciTech Connect

    Rolfe, T.J.; Rice, S.A.

    1983-11-15

    We report the results of extensive classical trajectory studies of energy transfer in Ar--difluorodiazirine (DFD) collisions. The use of classical mechanics for this purpose leads to some difficulties of interpretation; these are discussed. In the conclusions drawn from the calculations, emphasis is placed on the qualitative results, and no attempt is made to estimate collision cross sections or transition probabilities. The most important results to emerge from our calculations are the following: (i) Classical mechanical simulations of Ar--DFD collisions lead to the conclusion that the induced mode-to-mode energy transfer is very selective, just as is observed. (ii) Despite thermal averaging, some idiosyncratic features of the potential energy surface are reflected in the average energy transfers due to collision (e.g., in the impact parameter dependence of the root-mean-square rotational energy change on collision). (iii) The branching pattern characteristic of collision induced mode-to-mode vibrational energy transfer is likely sensitive to details of the potential energy surface, and not just to its overall structure. We reach this conclusion because the particular pathways of collision induced mode-to-mode energy transfer in the Ar--/sup 1/B/sub 1/ DFD system are not correctly reproduced by our calculations, despite the correct prediction of selectivity in mode-to-mode energy transfer.

  19. Potential energy curves crossing and low-energy charge transfer dynamics in (BeH2O)2+ complex

    NASA Astrophysics Data System (ADS)

    Sun, QiXiang; Yan, Bing

    2012-07-01

    The singlet rigid Be—O dissociation potential energy curves correlating to the first four molecular limits of (BeH2O)2+ complex were calculated using the multi-reference single and double excitation configuration interaction theory. The radial couplings of three low-lying 1A1 states were calculated and combined with adiabatic potential energy curves to investigate and charge-transfer collision dynamics by using quantum-mechanical molecular orbital close-coupling methods. It is found that the total charge-transfer cross sections are dominated by the Be+(2S)+H2O+(Ã2A1) channel. The rate coefficients in the range of 10-17-10-12 cm3/s are very sensitive to temperature below 1000 K. The complexation energy without charge-transfer was determined to be 143.6 kcal/mol, including zero-point vibration energy corrections. This is in good agreement with the previous results.

  20. Identified charged hadron production in pp and Pb-Pb collisions with ALICE at the LHC

    NASA Astrophysics Data System (ADS)

    Vasileiou, Maria

    2016-11-01

    Nuclear matter under extreme conditions can be investigated in ultra-relativistic heavy-ion collisions. The measurement of transverse momentum distributions and yields of identified particles is a fundamental step in understanding collective and thermal properties of the matter produced in such collisions. The ALICE Experiment results on identified charged hadron production are presented for pp collisions at √s = 0.9, 2.76 and 7 TeV and for Pb-Pb collisions at √sNN = 2.76 TeV. Spectral shapes, production yields and nuclear modification factors are shown and compared to previous experiments and Monte Carlo predictions. The spectral shapes in Pb-Pb collisions indicate a strong increase of the radial flow velocity with respect to RHIC energies, which in hydrodynamic models is expected as a consequence of the increasing particle density. The observed suppression of high transverse momentum particles in central Pb-Pb collisions provides evidence for strong parton energy loss in the hot and dense medium.

  1. Ensemble mean pt versus charged-hadron multiplicities in high energy nuclear collisions

    NASA Astrophysics Data System (ADS)

    Trainor, Thomas A.

    2014-08-01

    Measurements of event-ensemble mean transverse momentum vs charged-hadron multiplicity nch for pt spectra from 5-TeV p-Pb and 2.76-TeV Pb-Pb collisions and from p-p collisions for several energies have been reported recently. While in all cases increases monotonically with nch the rate of increase is very different from system to system. Comparisons with several theory Monte Carlos reveal substantial disagreements and lead to considerable uncertainty on how to interpret the data. In the present study we develop a two-component (soft +hard) model (TCM) of pt production in high energy nuclear collisions and apply it to the data. The soft component is assumed to be a universal feature of high energy collisions independent of the A-B system or energy. The hard-component model is based on the observation that dijet production in p-p collisions does not satisfy the eikonal approximation but does so in A-A collisions. Hard-component properties are determined from previous measurements of hadron spectrum hard components, jet spectra, and fragmentation functions. The TCM describes the p -p and Pb-Pb data accurately, within data uncertainties, and the p-Pb data appear to transition smoothly from p-p to A-A nch trends.

  2. Introduction to charge transfer device discrete time processing

    NASA Technical Reports Server (NTRS)

    Brodersen, R. W.

    1976-01-01

    This tutorial paper reviews some of the advantages and disadvantages of a discrete time representation of a signal. Also reviewed are some of the recent theoretical advances in digital signal processing which can be implemented by the use of charge transfer signal processing devices. In particular, the design and implementation of transversal filters and spectrum analyzers will be discussed.

  3. Charge transfer devices. Citations from the NTIS data base

    NASA Astrophysics Data System (ADS)

    Reed, W. E.

    1980-04-01

    The technology, design, fabrication, and applications of charge transfer devices are presented in the cited research reports. Applications include imaging, signal processing, detectors, filters, amplifiers, and memory devices. This updated bibliography contains 107 abstracts, all of which are new entries to the previous edition.

  4. Primary cells utilize halogen-organic charge transfer complex

    NASA Technical Reports Server (NTRS)

    Gutmann, F.; Hermann, A. M.; Rembaum, A.

    1966-01-01

    Electrochemical cells with solid state components employ charge transfer complexes or donor-acceptor complexes in which the donor component is an organic compound and the acceptor component is a halogen. A minor proportion of graphite added to these composition helps reduce the resistivity.

  5. Correlating electronic and vibrational motions in charge transfer systems

    SciTech Connect

    Khalil, Munira

    2014-06-27

    The goal of this research program was to measure coupled electronic and nuclear motions during photoinduced charge transfer processes in transition metal complexes by developing and using novel femtosecond spectroscopies. The scientific highlights and the resulting scientific publications from the DOE supported work are outlined in the technical report.

  6. Enhancing SERS by Means of Supramolecular Charge Transfer

    NASA Technical Reports Server (NTRS)

    Wong, Eric; Flood, Amar; Morales, Alfredo

    2009-01-01

    In a proposed method of sensing small quantities of molecules of interest, surface enhanced Raman scattering (SERS) spectroscopy would be further enhanced by means of intermolecular or supramolecular charge transfer. There is a very large potential market for sensors based on this method for rapid detection of chemical and biological hazards. In SERS, the Raman signals (vibrational spectra) of target molecules become enhanced by factors of the order of 108 when those molecules are in the vicinities of nanostructured substrate surfaces that have been engineered to have plasmon resonances that enhance local electric fields. SERS, as reported in several prior NASA Tech Briefs articles and elsewhere, has remained a research tool and has not yet been developed into a practical technique for sensing of target molecules: this is because the short range (5 to 20 nm) of the field enhancement necessitates engineering of receptor molecules to attract target molecules to the nanostructured substrate surfaces and to enable reliable identification of the target molecules in the presence of interferants. Intermolecular charge-transfer complexes have been used in fluorescence-, photoluminescence-, and electrochemistry-based techniques for sensing target molecules, but, until now, have not been considered for use in SERS-based sensing. The basic idea of the proposed method is to engineer receptor molecules that would be attached to nanostructured SERS substrates and that would interact with the target molecules to form receptor-target supramolecular charge-transfer complexes wherein the charge transfer could be photoexcited.

  7. Charge-Transfer Interactions in Organic Functional Materials

    PubMed Central

    Lin, Hsin-Chieh; Jin, Bih-Yaw

    2010-01-01

    Our goal in this review is three-fold. First, we provide an overview of a number of quantum-chemical methods that can abstract charge-transfer (CT) information on the excited-state species of organic conjugated materials, which can then be exploited for the understanding and design of organic photodiodes and solar cells at the molecular level. We stress that the Composite-Molecule (CM) model is useful for evaluating the electronic excited states and excitonic couplings of the organic molecules in the solid state. We start from a simple polyene dimer as an example to illustrate how interchain separation and chain size affect the intercahin interaction and the role of the charge transfer interaction in the excited state of the polyene dimers. With the basic knowledge from analysis of the polyene system, we then study more practical organic materials such as oligophenylenevinylenes (OPVn), oligothiophenes (OTn), and oligophenylenes (OPn). Finally, we apply this method to address the delocalization pathway (through-bond and/or through-space) in the lowest excited state for cyclophanes by combining the charge-transfer contributions calculated on the cyclophanes and the corresponding hypothetical molecules with tethers removed. This review represents a step forward in the understanding of the nature of the charge-transfer interactions in the excited state of organic functional materials. PMID:28883326

  8. Primary cells utilize halogen-organic charge transfer complex

    NASA Technical Reports Server (NTRS)

    Gutmann, F.; Hermann, A. M.; Rembaum, A.

    1966-01-01

    Electrochemical cells with solid state components employ charge transfer complexes or donor-acceptor complexes in which the donor component is an organic compound and the acceptor component is a halogen. A minor proportion of graphite added to these composition helps reduce the resistivity.

  9. [Spectrophotometric determination of codeine through charge-transfer reaction].

    PubMed

    Du, Li-ming; Li, Li; Wu, Hao

    2007-02-01

    The charge-transfer reaction of 7,7,8,8-tetracyano-quinodimethane (TCNQ) as a pi-electron acceptor with codeine as electron donors was investigated by spectrophotometry. TCNQ was found to react with codeine to produce stable charge-transfer complexes in acetone. Meanwhile, the studied drugs suffer a considerable bathochromic shift (from 216 to 843 nm). The influential factor of charge-transfer reaction and the optimum conditions for the determination of codeine were investigated in detail. Therefore a simple, rapid and accurate method with a good selectivity for the determination of codeine has been developed. The results show that Beer's law is obeyed in the ranges 0.1-1.6 microg x mL(-1) for codeine. The apparent molar absorptivity of the complex at 843 nm is 1.7 x 10(4) L x mol(-1) x cm(-1). Furthermore, the association constants and standard free energy changes were studied, and the mechanism of charge-transfer reaction was explored elementarily. The proposed method has been applied successfully to the determination of codeine in pharmaceutical preparations. The recoveries are from (98.94+/-0.96)% to (99.12+/-1.21)%.

  10. Charge-transfer complexation between naphthalene diimides and aromatic solvents.

    PubMed

    Kulkarni, Chidambar; Periyasamy, Ganga; Balasubramanian, S; George, Subi J

    2014-07-28

    Naphthalene diimides (NDIs) form emissive ground-state charge-transfer (CT) complexes with various electron rich aromatic solvents like benzene, o-xylene and mesitylene. TD-DFT calculation of the complexes suggests CT interaction and accounts for the observed ground-state changes.

  11. Ab initio calculation of H+He{sup +} charge-transfer cross sections for plasma physics

    SciTech Connect

    Loreau, J.; Vaeck, N.; Lauvergnat, D.; Desouter-Lecomte, M.

    2010-07-15

    The charge-transfer in low-energy (0.25 to 150 eV/amu) H(nl)+He{sup +}(1s) collisions is investigated using a quasimolecular approach for the n=2,3 as well as the first two n=4 singlet states. The diabatic potential energy curves of the HeH{sup +} molecular ion are obtained from the adiabatic potential energy curves and the nonadiabatic radial coupling matrix elements using a two-by-two diabatization method, and a time-dependent wave-packet approach is used to calculate the state-to-state cross sections. We find a strong dependence of the charge-transfer cross section on the principal and orbital quantum numbers n and l of the initial or final state. We estimate the effect of the nonadiabatic rotational couplings, which is found to be important even at energies below 1 eV/amu. However, the effect is small on the total cross sections at energies below 10 eV/amu. We observe that to calculate charge-transfer cross sections in an n manifold, it is only necessary to include states with n{sup '{<=}}n, and we discuss the limitations of our approach as the number of states increases.

  12. Influence of microhydration on the structures and proton-induced charge transfer in RNA intermediates.

    PubMed

    Bacchus-Montabonel, M C; Calvo, F

    2016-11-01

    Solvation effects are of major interest in the context of radiation damage, due to their potential applications in cancer therapy. Reliable modeling of the solvent is, however, quite challenging, and numerous studies have been devoted to isolated biomolecules and stepwise-hydrated molecules in which the amount of solvent is controlled one molecule at a time. The influence of stepwise hydration on radiation damage is investigated here using the example of proton-induced charge transfer in two biomolecular targets. Uracil has been widely investigated both experimentally and theoretically in this context, and 2-aminooxazole was recently shown to be a potentially important intermediate in prebiotic chemistry. Focusing here on doubly hydrated biomolecules, stable structures and infrared spectra were obtained by combining the results of molecular dynamics simulations with those of quantum chemistry calculations performed at the density-functional theory level with the double hybrid M06-2X functional. The charge-transfer cross-sections upon proton impact were obtained from ab initio molecular calculations and after applying a semi-classical approach to investigate the collision. Our results suggest a significant relationship between the detailed hydration structure and the efficacy of proton-induced charge transfer, highlighting the competing roles of inter- and intramolecular hydrogen bonding.

  13. Observation of vibrationally resolved charge transfer in H + +H2 at ECM=20 eV

    NASA Astrophysics Data System (ADS)

    Niedner, G.; Noll, M.; Toennies, J. P.; Schlier, Ch.

    1987-09-01

    The doubly differential cross sections for both the scattered protons and H atoms have been measured at ELAB=30 eV (ECM=20 eV) from θLAB=0° to 12° (θCM=0° to 18°) for the reactions H++H2(v=0)→H++H2(vf) and →H+H+2(vf) . The energy resolution is sufficient to resolve final vibrational states in both channels. The comparison of both the angular and energy loss distributions for the two product channels provides the first clear experimental evidence of a two-step charge transfer mechanism: Vibrational excitation on the lower H++H2 surface is followed by charge transfer in the outgoing collision for only those H2 molecules which are excited vibrationally high enough (vf≥4) to overcome the endoergic barrier (ΔE=1.83 eV). The final vibrational distributions of H+2 appear to be very similar to those of H2 for vf≥4 indicating that for the angular range observed the charge transfer probability is the same for all vibrational states with vf≥4. The comparison with classical trajectory surface hopping (TSH) calculations points to some disagreement which probably can be attributed to the potential surface used.

  14. Solvent Dependence of Lateral Charge Transfer in a Porphyrin Monolayer

    DOE PAGES

    Brennan, Bradley J.; Regan, Kevin P.; Durrell, Alec C.; ...

    2016-12-19

    Lateral charge transport in a redox)active monolayer can be utilized for solar energy harvesting. We chose the porphyrin system to study the influence of the solvent on lateral hole hopping, which plays a crucial role in the charge)transfer kinetics. We also examined the influence of water, acetonitrile, and propylene carbonate as solvents. Hole)hopping lifetimes varied by nearly three orders of magnitude among solvents, ranging from 3 ns in water to 2800 ns in propylene carbonate, and increased nonlinearly as a function of added acetonitrile in aqueous solvent mixtures. Our results elucidate the important roles of solvation, molecular packing dynamics, andmore » lateral charge)transfer mechanisms that have implications for all dye)sensitized photoelectrochemical device designs.« less

  15. Infrared Spectroscopy of Charge Transfer Complexes of Purines and Pyrimidines

    SciTech Connect

    Rathod, Pravinsinh I.; Oza, A. T.

    2011-10-20

    The FTIR spectra of charge transfer complexes of purines and pyrimidines with organic acceptors such as TCNQ, TCNE, DDQ, chloranil and iodine are obtained and studied in the present work. Adenine, guanine, thymine, cytosine and uracil are the purines and pyrimidines which are found as constituent of DNA and RNA. Charge transfer induced hydrogen bonding is concluded on the basis of indirect transitions observed in the infrared range in these CTCs. Some CTCs show gaussian bands revealing delocalization of charge carriers. The CTCs show interband transition in three-dimensions rather than two-dimensions unlike CTCs of amino acids. There is no extended hydrogen bonded network spanning the whole crystal. This leads to indirect transition due to locally deformed lattice furnishing a phonon-assisted transition.

  16. Infrared Spectroscopy of Charge Transfer Complexes of Purines and Pyrimidines

    NASA Astrophysics Data System (ADS)

    Rathod, Pravinsinh I.; Oza, A. T.

    2011-10-01

    The FTIR spectra of charge transfer complexes of purines and pyrimidines with organic acceptors such as TCNQ, TCNE, DDQ, chloranil and iodine are obtained and studied in the present work. Adenine, guanine, thymine, cytosine and uracil are the purines and pyrimidines which are found as constituent of DNA and RNA. Charge transfer induced hydrogen bonding is concluded on the basis of indirect transitions observed in the infrared range in these CTCs. Some CTCs show gaussian bands revealing delocalization of charge carriers. The CTCs show interband transition in three-dimensions rather than two-dimensions unlike CTCs of amino acids. There is no extended hydrogen bonded network spanning the whole crystal. This leads to indirect transition due to locally deformed lattice furnishing a phonon-assisted transition.

  17. Effect of Aperiodicity on the Charge Transfer Through DNA Molecules

    NASA Astrophysics Data System (ADS)

    Ghosh, Angsula; Chaudhuri, Puspitapallab

    The effect of aperiodicity on the charge transfer process through DNA molecules is investigated using a tight-binding model. Single-stranded aperiodic Fibonacci polyGC and polyAT sequences along with aperiodic Rudin-Shapiro poly(GCAT) sequences are used in the study. Based on the tight-binding model, molecular orbital calculations of the DNA chains are performed and ionization potentials compared, as this might be relevant to understanding the charge transfer process. Charges migrate through the sequences in a multistep hopping process. Results for current conduction through aperiodic sequences are compared with those for the corresponding periodic sequences. We find that dinucleotide aperiodic Fibonacci sequences decrease the current while tetranucleotide aperiodic Rudin-Shapiro sequences increase the current when compared with the corresponding periodic sequences. The conductance in all cases decays exponentially as the sequence length increases.

  18. Multiple electron capture from isolated protein poly-anions in collision with slow highly charged ions.

    PubMed

    Milosavljević, A R; Rousseau, P; Domaracka, A; Huber, B A; Giuliani, A

    2017-08-02

    Collisions of 375 keV Xe(25+) ions with trapped mass/charge selected poly-anions of the cytochrome C protein (∼12.5 kDa) were studied by coupling a linear quadrupole ion trap with low-energy ion beam facility. Tandem mass spectra were recorded for the protein precursor charge states ranging from -9 to -17. The present work reports the first study of slow highly charged ion collisions with poly-anions. A high signal to noise ratio allowed the study of the intensity of single and multiple electron removal by a projectile, as well as associated neutral losses, as a function of the target charge state. Relative single and double electron detachment cross sections were found to increase with increasing charge state of the precursor anion. The experimental findings are supported by the calculations of the total electron capture cross sections, based on the classical over-the-barrier model, restricted to a simple uniformly charged linear protein structure and a near-end electron capture.

  19. Graphene nonvolatile memory prototype based on charge-transfer mechanism

    NASA Astrophysics Data System (ADS)

    Lv, Hongming; Wu, Huaqiang; Huang, Can; Wang, Yuda; Qian, He

    2014-04-01

    A graphene nonvolatile memory (GNVM) prototype based on charge transfer between the graphene layer and the NH2(CH2)3Si(OEt)3 (APTES) self-assembled monolayer (SAM) is demonstrated. Graphene was transferred to an APTES-SAM-engineered SiO2 substrate and patterned into bottom-gate transistors. Owing to the charge trapping/detrapping property of the nitrogen atoms in APTES, a significant and reproducible transfer curve hysteresis is observed. Memory performance metrics, including retention and endurance, are reported. Comparisons between vacuum and ambient environment test results indicate air absorbates’ detrimental effect. Loss of nonvolatile storage is explained on the basis of a two-layer tunneling junction model, which sheds light on further device improvement through aminosilane molecule structure optimization.

  20. Active pixel sensor with intra-pixel charge transfer

    NASA Technical Reports Server (NTRS)

    Fossum, Eric R. (Inventor); Mendis, Sunetra (Inventor); Kemeny, Sabrina E. (Inventor)

    2004-01-01

    An imaging device formed as a monolithic complementary metal oxide semiconductor integrated circuit in an industry standard complementary metal oxide semiconductor process, the integrated circuit including a focal plane array of pixel cells, each one of the cells including a photogate overlying the substrate for accumulating photo-generated charge in an underlying portion of the substrate, a readout circuit including at least an output field effect transistor formed in the substrate, and a charge coupled device section formed on the substrate adjacent the photogate having a sensing node connected to the output transistor and at least one charge coupled device stage for transferring charge from the underlying portion of the substrate to the sensing node.

  1. Active pixel sensor with intra-pixel charge transfer

    NASA Technical Reports Server (NTRS)

    Fossum, Eric R. (Inventor); Mendis, Sunetra (Inventor); Kemeny, Sabrina E. (Inventor)

    1995-01-01

    An imaging device formed as a monolithic complementary metal oxide semiconductor integrated circuit in an industry standard complementary metal oxide semiconductor process, the integrated circuit including a focal plane array of pixel cells, each one of the cells including a photogate overlying the substrate for accumulating photo-generated charge in an underlying portion of the substrate, a readout circuit including at least an output field effect transistor formed in the substrate, and a charge coupled device section formed on the substrate adjacent the photogate having a sensing node connected to the output transistor and at least one charge coupled device stage for transferring charge from the underlying portion of the substrate to the sensing node.

  2. Active pixel sensor with intra-pixel charge transfer

    NASA Technical Reports Server (NTRS)

    Fossum, Eric R. (Inventor); Mendis, Sunetra (Inventor); Kemeny, Sabrina E. (Inventor)

    2003-01-01

    An imaging device formed as a monolithic complementary metal oxide semiconductor integrated circuit in an industry standard complementary metal oxide semiconductor process, the integrated circuit including a focal plane array of pixel cells, each one of the cells including a photogate overlying the substrate for accumulating photo-generated charge in an underlying portion of the substrate, a readout circuit including at least an output field effect transistor formed in the substrate, and a charge coupled device section formed on the substrate adjacent the photogate having a sensing node connected to the output transistor and at least one charge coupled device stage for transferring charge from the underlying portion of the substrate to the sensing node.

  3. Molecular (Feshbach) treatment of charge exchange Li/sup 3 +/+He collisions. I. Energies and couplings

    SciTech Connect

    Martin, F.; Riera, A.; Yanez, M.

    1986-05-15

    We point out a fundamental difference between the molecular treatment of charge exchange X/sup n/++H(1s) and X/sup n/++He(1s/sup 2/) collisions, which is that the latter process involves molecular states that are formally autoionizing. Then standard ab initio methods do not, in general, yield the relevant wave functions that are needed in the collision treatment, irrespective of whether quasimolecular autoionization be significant or not during the collision. We implement a particularly simple and useful form of the Feshbach formalism to calculate the energies of those two electron systems, and a method to evaluate the corresponding dynamical couplings is presented for the first time. Our implementation of this formalism together with the new computational techniques involved are presented in detail.

  4. Fragmentation and desorption in low-energy highly charged ion collisions with molecules and surfaces

    NASA Astrophysics Data System (ADS)

    Motohashi, K.

    2009-04-01

    In order to study secondary-ion emission in low-energy highly charged ion collisions with molecules and surfaces, we performed coincidence measurements of secondary ions and scattered ions, scattered neutral atoms or secondary electrons. Fragmentation and desorption processes induced by electron captures were successfully extracted by observing the scattered ions/atoms with small scattering angles. Momentum imaging of the secondary ions offers a new analysis method when combined with translational energy spectroscopy or energy-gain spectroscopy of scattered ions. This technique was successful in clarifying the reaction pathways of the electronic transitions of molecules and following the dissociation processes in collisions between Arq+ (q = 3-12) and CF4 and N2 molecules. We also successfully performed secondary ion mass spectroscopy of the topmost layers of the surfaces in glancing collisions between Ar8+ and both GaN (0001) and (000 1) surfaces.

  5. Charged particle production in p+Pb collisions measured by the ATLAS detector

    NASA Astrophysics Data System (ADS)

    Shulga, Evgeny; ATLAS collaboration

    2017-01-01

    Per-event charged particle spectra and nuclear modification factors are measured with the ATLAS detector at the LHC in p+Pb interactions at √sNN = 5.02 TeV. Results are presented as a function of transverse momentum, rapidity, and in different intervals of collision centrality, which is characterised in p+Pb collisions by the total transverse energy measured over the pseudorapidity interval ‑3.2 < η < ‑4.9 in the direction of the lead beam. Three different calculations of the number of nucleons participating in p+Pb collisions have been performed, assuming the Glauber model and its Glauber-Gribov Colour Fluctuation extensions. The results using different models are compared with each other, as well as with other measurements made under the same conditions and also with centrality definition based on different rapidity intervals.

  6. Multiplicity and pseudorapidity distributions of charged particles in asymmetric and deformed nuclear collisions in the wounded quark model

    NASA Astrophysics Data System (ADS)

    Chaturvedi, O. S. K.; Srivastava, P. K.; Kumar, Ashwini; Singh, B. K.

    2016-12-01

    The charged particle multiplicity (n_{ch}) and pseudorapidity density (dn_{ch}/dη) are key observables to characterize the properties of matter created in heavy-ion collisions. The dependence of these observables on collision energy and the collision geometry are a key tool to understand the underlying particle production mechanism. Recently much interest has been focused on asymmetric and deformed nuclei collisions since these collisions can provide a deeper understanding about the nature of quantum chromodynamics (QCD). From the phenomenological perspective, a unified model which describes the experimental data coming from various kinds of collision experiments is much needed to provide physical insights on the production mechanism. In this paper, we have calculated the charged hadron multiplicities for nucleon-nucleus, such as proton-lead ( p-Pb) and asymmetric nuclei collisions like deutron-gold ( d-Au), and copper-gold (Cu-Au) within a new version of the wounded quark model (WQM) and we have shown their variation with respect to centrality. Further we have used a suitable density function within our WQM to calculate pseudorapidity density of charged hadrons at midrapidity in the collisions of deformed uranium nuclei. We found that our model with suitable density functions describes the experimental data for symmetric, asymmetric and deformed nuclei collisions simultaneously over a wide range of the collision energy.

  7. An optical model description of momentum transfer in heavy ion collisions

    NASA Technical Reports Server (NTRS)

    Khan, F.; Khandelwal, G. S.; Townsend, Lawrence W.; Wilson, J. W.; Norbury, John W.

    1989-01-01

    An optical model description of momentum transfer in relativistic heavy ion collisions, based upon composite particle multiple scattering theory, is presented. The imaginary component of the complex momentum transfer, which comes from the absorptive part of the optical potential, is identified as the longitudinal momentum downshift of the projectile. Predictions of fragment momentum distribution observables are made and compared with experimental data. Use of the model as a tool for estimating collision impact parameters is discussed.

  8. Single ionization in highly charged ion-atom collisions at low to intermediate velocities

    NASA Astrophysics Data System (ADS)

    Abdallah, Mohammad Abdallah

    1998-11-01

    Single electron ejection from neutral targets (He and Ne) by the impact of low to highly charged ions (p, He+,/ Ne+,/ He2+,/ C6+,/ O8+, and Ne10+) at low to intermediate impact velocities is studied. A novel technique of electron momentum imaging is implemented. In this technique two-dimensional electron momentum distributions are produced in coincidence with recoil ions and projectile ions. In first generation experiments we studied the ejected electron momentum distributions without analyzing recoil ions momentum. This series of experiments revealed a charge-state dependence and velocity dependence that are contradictory to a dominant saddle point ionization mechanism at intermediate velocities. It showed a possibility of an agreement with a saddle centered distributions for low charge states at low collision velocities. To pursue the problem in more detail, we developed a second generation spectrometer which allowed us to fully determine the recoil ions momentum. This allowed us to determine the collision plane, energy loss (Q-value), and impact parameter for every collision that resulted in a single (target) electron ejection. This series of experiments revealed for the first time very marked structure in electron spectra that were impossible to observe in other experiments. These structures indicate the quasi-molecular nature of the collision process even at velocities comparable to the electron 'classical' orbital velocity. For the collisions of p, He+, and He2+ with He, a π-orbital shape of the electron momentum distribution is observed. This indicates the importance of the rotational coupling 2p/sigma/to2p/pi in the initial promotion of the ground state electron. This is followed by further promotions to the continuum. This agrees with the 'classical' description implied by the saddle-point ionization mechanism picture.

  9. Energy transfer in reactive and non-reactive H/sub 2/ + OH collisions

    SciTech Connect

    Rashed, O.; Brown, N.J.

    1985-04-01

    We have used the methods of quasi-classical dynamics to compute energy transfer properties of non-reactive and reactive H/sub 2/ + OH collisions. Energy transfer has been investigated as function of translational temperature, reagent rotational energy, and reagent vibrational energy. The energy transfer mechanism is complex with ten types of energy transfer possible, and evidence was found for all types. There is much more exchange between the translational degree of freedom and the H/sub 2/ vibrational degree of freedom than there is between translation and OH vibration. Translational energy is transferred to the rotational degrees of freedom of each molecule. There is a greater propensity for the transfer of translation to OH rotation than H/sub 2/ rotation. In reactive collisions, increases in reagent translational temperature predominantly appear as vibrational energy in the water molecule. Energy transfer in non-reactive and reactive collisions does not depend strongly on the initial angular momentum in either molecule. In non-reactive collisions, vibrational energy is transferred to translation, to the rotational degree of freedom of the same molecule, and to the rotational and vibrational degrees of freedom of the other molecule. In reactive collisions, the major effect of increasing the vibrational energy in reagent molecules is that, on the average, the vibrational energy of the reagents appears as product vibrational energy. 18 refs., 16 figs., 6 tabs.

  10. Time-dependence ion charge state distributions of vacuum arcs: An interpretation involving atoms and charge exchange collisions

    SciTech Connect

    Anders, Andre

    2004-08-27

    Experimentally observed charge state distributions are known to be higher at the beginning of each arc discharge. Up to know, this has been attributed to cathode surface effects in terms of changes of temperature, chemical composition and spot mode. Here it is shown that the initial decay of charge states of cathodic arc plasmas may at least in part due to charge exchange collisions of ions with neutrals that gradually fill the discharge volume. Sources of neutrals may include evaporated atoms from macroparticles and still-hot craters of previously active arc spots. More importantly, atoms are also produced by energetic condensation of the cathodic arc plasma. Self-sputtering is significant when ions impact with near-normal angle of incidence, and ions have low sticking probability when impacting at oblique angle of incidence. Estimates show that the characteristic time for filling the near-cathode discharge volume agrees well with the charge state decay time, and the likelihood of charge exchange is reasonably large to be taken into account.

  11. Exit charge state dependence of convoy electron production in heavy-ion solid collisions

    SciTech Connect

    Huelskoetter, H.P.; Burgdoerfer, J.; Sellin, I.A.

    1986-01-01

    The dependence of the yield of convoy electrons emitted near the forward direction in collisions involving fast ions and thin solid targets on the emergent projectile charge state is presented and described in terms of primary electron loss events in the solid. The data include a large array of projectiles, projectile energies and charge states, as well as targets ranging in thickness from the non-equilibrium well into the equilibrium thickness region. The description presented is consistent with other experimental and theoretical results indicating that the convoy electron production is closely linked to the ELC process observed in binary ion-atom collisions, with the dominant contribution to the convoy yield stemming from excited states of the projectiles. 22 refs., 3 figs.

  12. Charge-transfer crystallites as molecular electrical dopants

    PubMed Central

    Méndez, Henry; Heimel, Georg; Winkler, Stefanie; Frisch, Johannes; Opitz, Andreas; Sauer, Katrein; Wegner, Berthold; Oehzelt, Martin; Röthel, Christian; Duhm, Steffen; Többens, Daniel; Koch, Norbert; Salzmann, Ingo

    2015-01-01

    Ground-state integer charge transfer is commonly regarded as the basic mechanism of molecular electrical doping in both, conjugated polymers and oligomers. Here, we demonstrate that fundamentally different processes can occur in the two types of organic semiconductors instead. Using complementary experimental techniques supported by theory, we contrast a polythiophene, where molecular p-doping leads to integer charge transfer reportedly localized to one quaterthiophene backbone segment, to the quaterthiophene oligomer itself. Despite a comparable relative increase in conductivity, we observe only partial charge transfer for the latter. In contrast to the parent polymer, pronounced intermolecular frontier-orbital hybridization of oligomer and dopant in 1:1 mixed-stack co-crystallites leads to the emergence of empty electronic states within the energy gap of the surrounding quaterthiophene matrix. It is their Fermi–Dirac occupation that yields mobile charge carriers and, therefore, the co-crystallites—rather than individual acceptor molecules—should be regarded as the dopants in such systems. PMID:26440403

  13. Theoretical Evidence for Multiple Charge Transfer Pathways in Bacteriorhodopsin.

    PubMed

    Lee, Choongkeun; Mertz, Blake

    2016-04-12

    The development of molecular-scale junctions utilizing biomolecules is a challenging field that requires intimate knowledge of the relationship between molecular structure and conductance characteristics. One of the key parameters to understanding conductance efficiency is the charge mobility, which strongly influences the response time of electronic devices. The charge mobility of bacteriorhodopsin (bR), a membrane protein that has been studied experimentally in detail, was theoretically investigated using extended Marcus-Hush theory. Charge mobilities of 1.3 × 10(-2) and 9.7 × 10(-4) cm(2)/(V s) for hole and electron transfer, respectively, were determined. The computed electron mobility is comparable to experimentally measured values (9 × 10(-4) cm(2)/(V s)). Interestingly, the pathways for hole and electron hopping were very distinct from each other, utilizing different transmembrane helices to traverse the protein. In particular, only the electron transfer pathway involved the retinal chromophore, indicating that the efficiency of charge transfer is directly affected by the tertiary arrangement of proteins. Our results provide a template for obtaining the molecular and electronic-level details that can reveal fundamental insights into experimental studies on protein electron transport and inform efficient design of biomolecular-based junctions on the nanoscale.

  14. Fragmentation of amino acids induced by collisions with low-energy highly charged ions

    NASA Astrophysics Data System (ADS)

    Piekarski, D. G.; Maclot, S.; Domaracka, A.; Adoui, L.; Alcamí, M.; Rousseau, P.; Díaz-Tendero, S.; Huber, B. A.; Martín, F.

    2014-04-01

    Fragmentation of amino acids NH2-(CH2)n-COOH (n=1 glycine; n=2 β-alanine and n=3 γ-aminobutyric acid GABA) following collisions with slow highly charged ions has been studied in the gas phase by a combined experimental and theoretical approach. In the experiments, a multi-coincidence detection method was used to deduce the charge state of the molecules before fragmentation. Quantum chemistry calculations have been carried out in the basis of the density functional theory and ab initio molecular dynamics. The combination of both methodologies is essential to unambiguously unravel the different fragmentation pathways.

  15. Multistep hopping and extracellular charge transfer in microbial redox chains.

    PubMed

    Pirbadian, Sahand; El-Naggar, Mohamed Y

    2012-10-28

    Dissimilatory metal-reducing bacteria are microorganisms that gain energy by transferring respiratory electrons to extracellular solid-phase electron acceptors. In addition to its importance for physiology and natural environmental processes, this form of metabolism is being investigated for energy conversion and fuel production in bioelectrochemical systems, where microbes are used as biocatalysts at electrodes. One proposed strategy to accomplish this extracellular charge transfer involves forming a conductive pathway to electrodes by incorporating redox components on outer cell membranes and along extracellular appendages known as microbial nanowires within biofilms. To describe extracellular charge transfer in microbial redox chains, we employed a model based on incoherent hopping between sites in the chain and an interfacial treatment of electrochemical interactions with the surrounding electrodes. Based on this model, we calculated the current-voltage (I-V) characteristics and found the results to be in good agreement with I-V measurements across and along individual microbial nanowires produced by the bacterium Shewanella oneidensis MR-1. Based on our analysis, we propose that multistep hopping in redox chains constitutes a viable strategy for extracellular charge transfer in microbial biofilms.

  16. Charge transfer induced polarity switching in carbon nanotube transistors.

    PubMed

    Klinke, Christian; Chen, Jia; Afzali, Ali; Avouris, Phaedon

    2005-03-01

    We probed the charge transfer interaction between the amine-containing molecules hydrazine, polyaniline, and aminobutyl phosphonic acid and carbon nanotube field effect transistors (CNTFETs). We successfully converted p-type CNTFETs to n-type and drastically improved the device performance in both the ON- and OFF-transistor states, utilizing hydrazine as dopant. We effectively switched the transistor polarity between p- and n- type by accessing different oxidation states of polyaniline. We also demonstrated the flexibility of modulating the threshold voltage (Vth) of a CNTFET by engineering various charge-accepting and -donating groups in the same molecule.

  17. What is the "best" atomic charge model to describe through-space charge-transfer excitations?

    PubMed

    Jacquemin, Denis; Le Bahers, Tangui; Adamo, Carlo; Ciofini, Ilaria

    2012-04-28

    We investigate the efficiency of several partial atomic charge models (Mulliken, Hirshfeld, Bader, Natural, Merz-Kollman and ChelpG) for investigating the through-space charge-transfer in push-pull organic compounds with Time-Dependent Density Functional Theory approaches. The results of these models are compared to benchmark values obtained by determining the difference of total densities between the ground and excited states. Both model push-pull oligomers and two classes of "real-life" organic dyes (indoline and diketopyrrolopyrrole) used as sensitisers in solar cell applications have been considered. Though the difference of dipole moments between the ground and excited states is reproduced by most approaches, no atomic charge model is fully satisfactory for reproducing the distance and amount of charge transferred that are provided by the density picture. Overall, the partitioning schemes fitting the electrostatic potential (e.g. Merz-Kollman) stand as the most consistent compromises in the framework of simulating through-space charge-transfer, whereas the other models tend to yield qualitatively inconsistent values.

  18. Laboratory Studies of Thermal Energy Charge Transfer of Multiply Charged Ions in Astrophysical Plasmas

    NASA Technical Reports Server (NTRS)

    Kwong, Victor H. S.

    2003-01-01

    The laser ablation/ion storage facility at the UNLV Physics Department has been dedicated to the study of atomic and molecular processes in low temperature plasmas. Our program focuses on the charge transfer (electron capture) of multiply charged ions and neutrals important in astrophysics. The electron transfer reactions with atoms and molecules is crucial to the ionization condition of neutral rich photoionized plasmas. With the successful deployment of the Far Ultraviolet Spectroscopic Explorer (FUSE) and the Chandra X-ray Observatory by NASA high resolution VUV and X-ray emission spectra fiom various astrophysical objects have been collected. These spectra will be analyzed to determine the source of the emission and the chemical and physical environment of the source. The proper interpretation of these spectra will require complete knowledge of all the atomic processes in these plasmas. In a neutral rich environment, charge transfer can be the dominant process. The rate coefficients need to be known accurately. We have also extended our charge transfer measurements to KeV region with a pulsed ion beam. The inclusion of this facility into our current program provides flexibility in extending the measurement to higher energies (KeV) if needed. This flexibility enables us to address issues of immediate interest to the astrophysical community as new observations are made by high resolution space based observatories.

  19. The thermochromic behavior of aromatic amine-SO2 charge transfer complexes

    NASA Astrophysics Data System (ADS)

    Monezi, Natália M.; Borin, Antonio C.; Santos, Paulo S.; Ando, Rômulo A.

    2017-02-01

    The distinct thermochromism observed in solutions containing N,N-dimethylaniline (DMA) and N,N-diethylaniline (DEA) and SO2 was investigated by resonance Raman spectroscopy in a wide range of temperatures. The results indicate in addition to the charge transfer (CT) complexes DMA-SO2 and DEA-SO2, the presence of collision complexes involving the CT complexes and excess DMA and DEA molecules. The latter in fact is the chromophore responsible for the long wavelength absorption originating the color. The Raman signature of the collision complex was attributed to the distinct enhancement of a band at 1140 cm- 1 assigned to νs(SO2), in contrast to the same mode in the 1:1 complex at 1115 cm- 1. The intensity of such band, assigned to the collision complex is favored at high temperatures and depends on the steric hindrance associated to amines, as well as the SO2 molar fraction. Quantum chemical calculations based on time-dependent density functional theory (TDDFT) support the proposed interpretation.

  20. The thermochromic behavior of aromatic amine-SO2 charge transfer complexes.

    PubMed

    Monezi, Natália M; Borin, Antonio C; Santos, Paulo S; Ando, Rômulo A

    2017-02-15

    The distinct thermochromism observed in solutions containing N,N-dimethylaniline (DMA) and N,N-diethylaniline (DEA) and SO2 was investigated by resonance Raman spectroscopy in a wide range of temperatures. The results indicate in addition to the charge transfer (CT) complexes DMA-SO2 and DEA-SO2, the presence of collision complexes involving the CT complexes and excess DMA and DEA molecules. The latter in fact is the chromophore responsible for the long wavelength absorption originating the color. The Raman signature of the collision complex was attributed to the distinct enhancement of a band at 1140cm(-1) assigned to νs(SO2), in contrast to the same mode in the 1:1 complex at 1115cm(-1). The intensity of such band, assigned to the collision complex is favored at high temperatures and depends on the steric hindrance associated to amines, as well as the SO2 molar fraction. Quantum chemical calculations based on time-dependent density functional theory (TDDFT) support the proposed interpretation.

  1. Electron Transfer Reagent Anion Formation via Electrospray Ionization and Collision-induced Dissociation

    PubMed Central

    Huang, Teng-Yi; Emory, Joshua F.; O’Hair, Richard A.J.; McLuckey, Scott A.

    2011-01-01

    A strategy is described and demonstrated for the formation of reagent anions via electrospray ionization (ESI) for electron transfer dissociation (ETD). To circumvent difficulties associated with formation of high mass-to-charge ratio (m/z) reagent anions, it is desirable to form ETD reagents via means other than those that require reagent molecule vaporization. ESI is a candidate method but anions that are generally generated efficiently by ESI tend to react with multiply protonated polypeptides via proton transfer. The strategy described herein involves the use of a precursor reagent molecule that ionizes efficiently via electrospray ionization and that can subsequently be converted to an ETD reagent via gas-phase dissociation. The approach is demonstrated with arene carboxylic acids that yield strong signals associated with the deprotonated molecule and that subsequently undergo collision-induced dissociation (CID) by loss of CO2. In the present work, triply protonated KGAILKGAILR served as a test substrate for the CID product ions to give rise to ETD. Several precursor molecules were shown to be capable of generating ETD reagents via ESI followed by CID. These included 9-anthracenecarboxylic acid, 2-fluoro-5-iodobenzoic acid, and 2-(fluoranthene-8-carbonyl)-benzoic acid. The latter molecule has the most attractive set of characteristics as a precursor for a relatively high m/z ratio ETD reagent. PMID:17073403

  2. Spectrophotometric determination of moclobemide by charge-transfer complexation.

    PubMed

    Adikwu, M U; Ofokansi, K C

    1997-11-01

    A simple and sensitive spectrophotometric method is described for the assay for the moclobemide. The method is based on the molecular interaction between the drug and chloranilic acid, to form a charge-transfer complex in which the drug acts as n-donor and chloranilic acid as pi-acceptor. Chloranilic acid was found to form a charge-transfer complex in a 1:1 stoichiometry with a maximum absorption band at 526 nm. Conformity with Beer's law was evident over the concentration range 4-36 mg 100 ml-1. A complete, detailed investigation of the complex formed was made with respect to its composition, association constant, molar absorptivity and free energy change. The method has been applied successfully to the analysis of commercially available moclobemide tablets with good recovery and reproducibility.

  3. Charge transfer to ground-state ions produces free electrons

    NASA Astrophysics Data System (ADS)

    You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K.

    2017-01-01

    Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne-Kr mixed clusters.

  4. Charge transfer and interface properties in inorganic superstructures and composites

    NASA Astrophysics Data System (ADS)

    Flyagina, I. S.; Petrov, A. A.; Pervov, V. S.

    2016-06-01

    The processes of charge transfer and electronic reconstruction at interfaces of inorganic superstructures and composites have not yet been adequately investigated. This review integrates and analyzes the results of theoretical and experimental studies of structural and electronic effects at interfaces of metal oxide or chalcogenide superstructures and composites. Charge transfer and, hence, change in interface properties compared to the properties of substructures are shown to be determined by the preparation method of composites and chemical nature of the superstructures, incommensurability of structural parameters and valence states of the constituent metals. The changes are maximal for nanoheterostructures, and the degree of change is related to electronic conductivity of substructures. The macroscopic properties of the composite materials depend on the amount of interfaces in their bulk. The bibliography includes 66 references.

  5. Charge transfer magnetoexciton formation at vertically coupled quantum dots

    PubMed Central

    2012-01-01

    A theoretical investigation is presented on the properties of charge transfer excitons at vertically coupled semiconductor quantum dots in the presence of electric and magnetic fields directed along the growth axis. Such excitons should have two interesting characteristics: an extremely long lifetime and a permanent dipole moment. We show that wave functions and the low-lying energies of charge transfer exciton can be found exactly for a special morphology of quantum dots that provides a parabolic confinement inside the layers. To take into account a difference between confinement potentials of an actual structure and of our exactly solvable model, we use the Galerkin method. The density of energy states is calculated for different InAs/GaAs quantum dots’ dimensions, the separation between layers, and the strength of the electric and magnetic fields. A possibility of a formation of a giant dipolar momentum under external electric field is predicted. PMID:23092373

  6. Modelling charge transfer reactions with the frozen density embedding formalism.

    PubMed

    Pavanello, Michele; Neugebauer, Johannes

    2011-12-21

    The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two π-stacked nucleobase dimers of B-DNA: 5'-GG-3' and 5'-GT-3'. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionals are used the electronic couplings are grossly overestimated.

  7. Raman scattering from molecular conduction junctions: Charge transfer mechanism

    NASA Astrophysics Data System (ADS)

    Oren, Michal; Galperin, Michael; Nitzan, Abraham

    2012-03-01

    We present a model for the charge transfer contribution to surface-enhanced Raman spectroscopy (SERS) in a molecular junction. The model is a generalization of the equilibrium scheme for SERS of a molecule adsorbed on a metal surface [B. N. J. Persson. Chem. Phys. Lett.CHPLBC0009-261410.1016/0009-2614(81)85441-3 82, 561 (1981)]. We extend the same physical consideration to a nonequilibrium situation in a biased molecular junction and to nonzero temperatures. Two approaches are considered and compared: a semiclassical approach appropriate for nonresonance Raman scattering, and a quantum approach based on the nonequilibrium Green's function method. Nonequilibrium effects on this contribution to SERS are demonstrated with numerical examples. It is shown that the semiclassical approach provides an excellent approximation to the full quantum calculation as long as the molecular electronic state is outside the Fermi window, that is, as long as the field-induced charge transfer is small.

  8. Exciton strings in an organic charge-transfer crystal

    NASA Astrophysics Data System (ADS)

    Kuwata-Gonokami, M.; Peyghambarian, N.; Meissner, K.; Fluegel, B.; Sato, Y.; Ema, K.; Shimano, R.; Mazumdar, S.; Guo, F.; Tokihiro, T.; Ezaki, H.; Hanamura, E.

    1994-01-01

    COLLECTIVE excitations resulting from many-body Coulomb interactions have been studied extensively in the solid state1: for example, the exchange interaction between the electrons in two excitons (bound electron-hole pairs) can bind the excitons together, forming a biexciton. At the other extreme, if the number of excitons is sufficiently large (~106), they can condense into a degenerate 'liquid' phase known as an electron-hole drop. But in conventional semiconductors, intermediate bound states, consisting of more than two excitons, are not formed. We show here, both theoretically and experimentally, that bound states of multiple excitons can form in the organic charge-transfer solid anthracene-(pyromellitic acid dianhydride). Coulomb interactions along the one-dimensional stacks of this material can stabilize trains of several charge-transfer excitons, and we refer to the resulting collective excitations as exciton strings.

  9. Modelling charge transfer reactions with the frozen density embedding formalism

    NASA Astrophysics Data System (ADS)

    Pavanello, Michele; Neugebauer, Johannes

    2011-12-01

    The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two π-stacked nucleobase dimers of B-DNA: 5'-GG-3' and 5'-GT-3'. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionals are used the electronic couplings are grossly overestimated.

  10. Modelling charge transfer reactions with the frozen density embedding formalism

    SciTech Connect

    Pavanello, Michele; Neugebauer, Johannes

    2011-12-21

    The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two {pi}-stacked nucleobase dimers of B-DNA: 5{sup '}-GG-3{sup '} and 5{sup '}-GT-3{sup '}. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionals are used the electronic couplings are grossly overestimated.

  11. Charge transfer transitions within the octahedral uranate group

    NASA Astrophysics Data System (ADS)

    Bleijenberg, K. C.

    1980-07-01

    In this paper the excitation spectra of the luminescence of the octahedral uranate group (UO6-6) are presented for various uranium-doped compounds. The excitation bands have been assigned using the results of theoretical and experimental investigations into the spectroscopic properties of uranium hexafluoride which is isoelectronic with the octahedral uranate group. Charge transfer transitions from orbitals having mainly oxygen 2p character to orbitals having mainly uranium 5f charcter have been observed in the region 2.24-˜4 eV. Charge transfer transitions to orbitals having mainly uranium 6d character have been observed at 4.4 eV and at 5.4 eV.

  12. Negative ion-uranium hexafluoride charge transfer reactions

    NASA Astrophysics Data System (ADS)

    Streit, Gerald E.; Newton, T. W.

    1980-10-01

    The flowing afterglow technique has been used to study the process of charge transfer from selected negative ions (F-, Cl-, Br-, I-, SF6-) to UF6. The sole ionic product in all cases was observed to be UF6-. Data analysis was complicated by an unexpected coupling of chemical and diffusive ion loss processes when UF6- product ions were present. The rate coefficients for the charge transfer processes are (k in 10-9 cm3 molecule-1 s-1) F-, 1.3; Cl-, 1.1; Br-, 0.93; I-, 0.77; and SF6-, 0.69. The rate constants agree quite well with the classical Langevin predictions.

  13. Charge Transfer Plasmons: Optical Frequency Conductances and Tunable Infrared Resonances.

    PubMed

    Wen, Fangfang; Zhang, Yue; Gottheim, Samuel; King, Nicholas S; Zhang, Yu; Nordlander, Peter; Halas, Naomi J

    2015-06-23

    A charge transfer plasmon (CTP) appears when an optical-frequency conductive pathway between two metallic nanoparticles is established, enabling the transfer of charge between nanoparticles when the plasmon is excited. Here we investigate the properties of the CTP in a nanowire-bridged dimer geometry. Varying the junction geometry controls its conductance, which modifies the resonance energies and scattering intensities of the CTP while also altering the other plasmon modes of the nanostructure. Reducing the junction conductance shifts this resonance to substantially lower energies in the near- and mid-infrared regions of the spectrum. The CTP offers both a high-information probe of optical frequency conductances in nanoscale junctions and a new, unique approach to controllably engineering tunable plasmon modes at infrared wavelengths.

  14. Charge transfer to ground-state ions produces free electrons

    PubMed Central

    You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K

    2017-01-01

    Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne–Kr mixed clusters. PMID:28134238

  15. Charge States of y Ions in the Collision-Induced Dissociation of Doubly Charged Tryptic Peptide Ions

    NASA Astrophysics Data System (ADS)

    Neta, Pedatsur; Stein, Stephen E.

    2011-05-01

    Bonds that break in collision-induced dissociation (CID) are often weakened by a nearby proton, which can, in principle, be carried away by either of the product fragments. Since peptide backbone dissociation is commonly charge-directed, relative intensities of charge states of product y- and b-ions depend on the final location of that proton. This study examines y-ion charge distributions for dissociation of doubly charged peptide ions, using a large reference library of peptide ion fragmentation generated from ion-trap CID of peptide ions from tryptic digests. Trends in relative intensities of y2+ and y1+ ions are examined as a function of bond cleavage position, peptide length (n), residues on either side of the bond and effects of residues remote from the bond. It is found that yn-2/b2 dissociation is the most sensitive to adjacent amino acids, that y2+/y1+ steadily increase with increasing peptide length, that the N-terminal amino acid can have a major influence in all dissociations, and in some cases other residues remote from the bond cleavage exert significant effects. Good correlation is found between the values of y2+/y1+ for the peptide and the proton affinities of the amino acids present at the dissociating peptide bond. A few deviations from this correlation are rationalized by specific effects of the amino acid residues. These correlations can be used to estimate trends in y2+/y1+ ratios for peptide ions from amino acid proton affinities.

  16. Charge-Transfer Interactions between Transition Metal Hexafluorides and Xenon

    DTIC Science & Technology

    1977-10-01

    HEXAFLUORIDES AND XENON’. by J. D./Webb M E. R./Bernstein\\ Prepared for Publication in the Journal of the American Chemical Society DTIE Department of...Metal Hexafluorides ar. Xenon" " 6. PERFORMIKG ORG REPk)RT NUMODE . CONTRACT OR GNANT NUMBLR(e) J. D. Webb and E. R. Bernstein N00014-75-C-1179 9...neceoswy and Idenifil by block numbet) charge transfer electron affinities Transitio Metal Hexafluorides Xencn electronegativities 4,AGSTRACT Coninue an

  17. Interfacial Charge Transfer States in Condensed Phase Systems

    NASA Astrophysics Data System (ADS)

    Vandewal, Koen

    2016-05-01

    Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified.

  18. Charged particle production in Pb-Pb collisions at the LHC with the ALICE detector

    NASA Astrophysics Data System (ADS)

    Floris, M.

    2013-08-01

    The ALICE collaboration measured charged particle production in √{sNN} = 2.76 TeV Pb-Pb collisions at the LHC. We report on results on charged particle multiplicity and transverse momentum spectra. All the results are presented as a function of the centrality of the collision, estimated with a Glauber Monte Carlo fit to multiplicity distributions reconstructed in various detectors. The applicability of the Glauber model at LHC energies, the precision of the centrality determination and the related systematic uncertainties are discussed in detail. Particles are tracked in the pseudorapidity window | η | ≲ 0.9 with the silicon Inner Tracking System (ITS) and the Time Projection Chamber (TPC), over the range 0.15 charged particle multiplicity is measured in | η | < 0.5 to be dNch /d η = 1601 ± 60 in 5% most central Pb-Pb collisions, indicating an energy density a factor ∼ 3 higher than at RHIC. Its evolution with centrality shows a pattern strikingly similar to the one measured at RHIC. Intermediate (5 ≲pT ≲ 15 GeV / c) transverse momentum particles are found to be most strongly suppressed with respect to pp collisions, consistent with a large energy loss of hardscattered partons in the hot and dense medium. The results are presented in terms of the nuclear modification factor RAA and compared to theoretical expectations.

  19. Charge transfer plasmons: Recent theoretical and experimental developments

    NASA Astrophysics Data System (ADS)

    Koya, Alemayehu Nana; Lin, Jingquan

    2017-06-01

    The unique property of a charge transfer plasmon (CTP) that emerges in conductively bridged plasmonic nanoparticles makes linked nanosystems suitable candidates for building artificial molecules, nanomotors, sensors, and other optoelectronic devices. In this focused review, we present recent theoretical and experimental developments in fundamentals and applications of CTPs in conductively coupled metallic nanoparticles of various sizes and shapes. The underlying physics of charge transfer in linked nanoparticles with nanometer- and atomic-scale inter-particle gap is described from both classical and quantum mechanical perspectives. In addition, we present a detailed discussion of mechanisms of controlling charge transfer and tuning the corresponding CTP spectra in bridged nanoparticles as functions of junction conductance and nanoparticle parameters. Furthermore, the active control of reversible switching between capacitive and conductive coupling in plasmonic nanoshell particles and dynamic evolution of related plasmon modes are emphasized. Finally, after highlighting the implication of the CTP resonance shift for surface-based sensing applications, we end up with the current challenges and future outlooks of the topic that need to be addressed.

  20. Energy and charge transfer in ionized argon coated water clusters.

    PubMed

    Kočišek, J; Lengyel, J; Fárník, M; Slavíček, P

    2013-12-07

    We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H2O)n clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar(+) and water occurs above the threshold; at higher electron energies above ~28 eV, an excitonic transfer process between Ar(+)* and water opens leading to new products Ar(n)H(+) and (H2O)(n)H(+). On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H2O)(n)H2(2+) and (H2O)(n)(2+) ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent.

  1. Accumulative electron transfer: multiple charge separation in artificial photosynthesis.

    PubMed

    Karlsson, Susanne; Boixel, Julien; Pellegrin, Yann; Blart, Errol; Becker, Hans-Christian; Odobel, Fabrice; Hammarström, Leif

    2012-01-01

    To achieve artificial photosynthesis it is necessary to couple the single-electron event of photoinduced charge separation with the multi-electron reactions of fuel formation and water splitting. Therefore, several rounds of light-induced charge separation are required to accumulate enough redox equivalents at the catalytic sites for the target chemistry to occur, without any sacrificial donors or acceptors other than the catalytic substrates. Herein, we discuss the challenges of such accumulative electron transfer in molecular systems. We present a series of closely related systems base on a Ru(II)-polypyridine photosensitizer with appended triaryl-amine or oligo-triaryl-amine donors, linked to nanoporous TiO2 as the acceptor. One of the systems, based on dye 4, shows efficient accumulative electron transfer in high overall yield resulting in the formation of a two-electron charge-separated state upon successive excitation by two photons. In contrast, the other systems do not show accumulative electron transfer because of different competing reactions. This illustrates the difficulties in designing successful systems for this still largely unexplored type of reaction scheme.

  2. Simple charge-transfer model for metallic complexes.

    PubMed

    Ramírez-Ramírez, José-Zeferino; Vargas, Rubicelia; Garza, Jorge; Gázquez, José L

    2010-08-05

    In the chemistry of metallic complexes, two important concepts have been used to rationalize the recognition and selectivity of a host by a guest: preorganization and complementarity. Both of these concepts stem from geometrical features. Less explored in the literature has been the interactional complementarity, where mainly the electronic factors in the intermolecular forces are involved. Because the charge transfer between a species rich in electrons (ligand) and another deficient in them (cation) is one of the main intermolecular factors that control the binding energies in metallic complexes, for such systems, we propose a simple model based on density functional theory. We define an interactional energy in which the geometrical energy changes are subtracted from the binding energies and just the electronic factors are taken into account. The model is tested for the complexation between bidentate and cyclic ligands and Ca, Pb, and Hg metal dications. The charge-transfer energy described by our model fits nicely with the interactional energy. Thus, when the geometrical changes do not contribute in a significant way to the complexation energy, the interactional energy is dominated by charge-transfer effects.

  3. Energy and charge transfer in nanoscale hybrid materials.

    PubMed

    Basché, Thomas; Bottin, Anne; Li, Chen; Müllen, Klaus; Kim, Jeong-Hee; Sohn, Byeong-Hyeok; Prabhakaran, Prem; Lee, Kwang-Sup

    2015-06-01

    Hybrid materials composed of colloidal semiconductor quantum dots and π-conjugated organic molecules and polymers have attracted continuous interest in recent years, because they may find applications in bio-sensing, photodetection, and photovoltaics. Fundamental processes occurring in these nanohybrids are light absorption and emission as well as energy and/or charge transfer between the components. For future applications it is mandatory to understand, control, and optimize the wide parameter space with respect to chemical assembly and the desired photophysical properties. Accordingly, different approaches to tackle this issue are described here. Simple organic dye molecules (Dye)/quantum dot (QD) conjugates are studied with stationary and time-resolved spectroscopy to address the dynamics of energy and ultra-fast charge transfer. Micellar as well as lamellar nanostructures derived from diblock copolymers are employed to fine-tune the energy transfer efficiency of QD donor/dye acceptor couples. Finally, the transport of charges through organic components coupled to the quantum dot surface is discussed with an emphasis on functional devices. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Energy and charge transfer in ionized argon coated water clusters

    SciTech Connect

    Kočišek, J. E-mail: michal.farnik@jh-inst.cas.cz Lengyel, J.; Fárník, M. E-mail: michal.farnik@jh-inst.cas.cz; Slavíček, P. E-mail: michal.farnik@jh-inst.cas.cz

    2013-12-07

    We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H{sub 2}O){sub n} clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar{sup +} and water occurs above the threshold; at higher electron energies above ∼28 eV, an excitonic transfer process between Ar{sup +}* and water opens leading to new products Ar{sub n}H{sup +} and (H{sub 2}O){sub n}H{sup +}. On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H{sub 2}O){sub n}H{sub 2}{sup 2+} and (H{sub 2}O){sub n}{sup 2+} ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent.

  5. A model for energy transfer in collisions of atoms with highly excited molecules.

    PubMed

    Houston, Paul L; Conte, Riccardo; Bowman, Joel M

    2015-05-21

    A model for energy transfer in the collision between an atom and a highly excited target molecule has been developed on the basis of classical mechanics and turning point analysis. The predictions of the model have been tested against the results of trajectory calculations for collisions of five different target molecules with argon or helium under a variety of temperatures, collision energies, and initial rotational levels. The model predicts selected moments of the joint probability distribution, P(Jf,ΔE) with an R(2) ≈ 0.90. The calculation is efficient, in most cases taking less than one CPU-hour. The model provides several insights into the energy transfer process. The joint probability distribution is strongly dependent on rotational energy transfer and conservation laws and less dependent on vibrational energy transfer. There are two mechanisms for rotational excitation, one due to motion normal to the intermolecular potential and one due to motion tangential to it and perpendicular to the line of centers. Energy transfer is found to depend strongly on the intermolecular potential and only weakly on the intramolecular potential. Highly efficient collisions are a natural consequence of the energy transfer and arise due to collisions at "sweet spots" in the space of impact parameter and molecular orientation.

  6. Efficient charge generation by relaxed charge-transfer states at organic interfaces

    NASA Astrophysics Data System (ADS)

    Vandewal, Koen; Albrecht, Steve; Hoke, Eric T.; Graham, Kenneth R.; Widmer, Johannes; Douglas, Jessica D.; Schubert, Marcel; Mateker, William R.; Bloking, Jason T.; Burkhard, George F.; Sellinger, Alan; Fréchet, Jean M. J.; Amassian, Aram; Riede, Moritz K.; McGehee, Michael D.; Neher, Dieter; Salleo, Alberto

    2014-01-01

    Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy.

  7. Efficient charge generation by relaxed charge-transfer states at organic interfaces.

    PubMed

    Vandewal, Koen; Albrecht, Steve; Hoke, Eric T; Graham, Kenneth R; Widmer, Johannes; Douglas, Jessica D; Schubert, Marcel; Mateker, William R; Bloking, Jason T; Burkhard, George F; Sellinger, Alan; Fréchet, Jean M J; Amassian, Aram; Riede, Moritz K; McGehee, Michael D; Neher, Dieter; Salleo, Alberto

    2014-01-01

    Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy.

  8. Modeling multi-nucleon transfer in symmetric collisions of massive nuclei

    NASA Astrophysics Data System (ADS)

    Welsh, T.; Loveland, W.; Yanez, R.; Barrett, J. S.; McCutchan, E. A.; Sonzogni, A. A.; Johnson, T.; Zhu, S.; Greene, J. P.; Ayangeakaa, A. D.; Carpenter, M. P.; Lauritsen, T.; Harker, J. L.; Walters, W. B.; Amro, B. M. S.; Copp, P.

    2017-08-01

    Symmetric collisions of massive nuclei, such as 238U + 248Cm, have been proposed as ways to make new n-rich heavy nuclei via multi-nucleon transfer (MNT) reactions. We have measured the yields of several projectile-like and target-like fragments from the reaction of 1360 MeV 204Hg + 198Pt. We find that current models for this symmetric collision (GRAZING, DNS, ImQMD) significantly underestimate the yields of these transfer products, even for small transfers.

  9. Modeling multi-nucleon transfer in symmetric collisions of massive nuclei

    DOE PAGES

    Welsh, T.; Loveland, W.; Yanez, R.; ...

    2017-05-18

    We propose symmetric collisions of massive nuclei, such as 238U + 248Cm, as ways to make new n-rich heavy nuclei via multi-nucleon transfer (MNT) reactions. We have measured the yields of several projectile-like and target-like fragments from the reaction of 1360 MeV 204Hg + 198Pt. We also find that current models for this symmetric collision (GRAZING, DNS, ImQMD) significantly underestimate the yields of these transfer products, even for small transfers.

  10. A local collision probability approximation for predicting momentum transfer cross sections.

    PubMed

    Bleiholder, Christian

    2015-10-21

    The local collision probability approximation (LCPA) method is introduced to compute molecular momentum transfer cross sections for comparison to ion mobility experiments. The LCPA replaces the (non-local) scattering trajectory used in the trajectory method to describe the collision process by a (local) collision probability function. This momentum transfer probability is computed using the exact same analyte-buffer interaction potential as used in the trajectory method. Subsequently, the momentum transfer cross section ΩLCPA(T) is calculated in a projection-type manner (corrected for shape effects through a shape factor). Benchmark calculations on a set of 208 carbon clusters with a range of molecular size and degree of concavity demonstrate that LCPA and trajectory calculations agree closely with one another. The results discussed here indicate that the LCPA is suitable to efficiently calculate momentum transfer cross sections for use in ion mobility spectrometry in conjunction with different buffer gases.

  11. Search for Fractional Charges Produced in Heavy-Ion Collisions at 1.9 GeV/nucleon

    NASA Astrophysics Data System (ADS)

    Lindgren, Michael A.; Joyce, David C.; Abrams, Peter C.; Bland, Roger W.; Johnson, Robert T.; Knoop, Tanya D.; Savage, Maureen H.; Scholz, Marion H.; Young, Betty A.; Hodges, Christopher L.; Hahn, Alan A.; Shaw, Gordon L.; Lackner, Klaus S.; Pugh, Howel G.; Slansky, Richard

    1983-10-01

    An experiment was performed to capture fractionally charged particles produced in heavy-ion collisions and to concentrate them in samples suitable for analysis by various techniques. Two of the samples so produced have been searched, with use of an automated version of Millikan's oil-drop apparatus. The beam was 56Fe at 1.9 GeV/nucleon, incident on a lead target. Less than one fractional charge per 1.0×104 Fe-Pb collisions was found to be produced, and, with further assumptions, less than one per 2.0×106 collisions.

  12. Quantum information transfer between topological and conventional charge qubits

    NASA Astrophysics Data System (ADS)

    Jun, Li; Yan, Zou

    2016-02-01

    We propose a scheme to realize coherent quantum information transfer between topological and conventional charge qubits. We first consider a hybrid system where a quantum dot (QD) is tunnel-coupled to a semiconductor Majorana-hosted nanowire (MNW) via using gated control as a switch, the information encoded in the superposition state of electron empty and occupied state can be transferred to each other through choosing the proper interaction time to make measurements. Then we consider another system including a double QDs and a pair of parallel MNWs, it is shown that the entanglement information transfer can be realized between the two kinds of systems. We also realize long distance quantum information transfer between two quantum dots separated by an MNW, by making use of the nonlocal fermionic level formed with the pared Majorana feimions (MFs) emerging at the two ends of the MNW. Furthermore, we analyze the teleportationlike electron transfer phenomenon predicted by Tewari et al. [Phys. Rev. Lett. 100, 027001 (2008)] in our considered system. Interestingly, we find that this phenomenon exactly corresponds to the case that the information encoded in one QD just returns back to its original place during the dynamical evolution of the combined system from the perspective of quantum state transfer. Project supported by the National Natural Science Foundation of China (Grant No. 11304031).

  13. Cross sections for inelastic collisions of fast charged particles with atoms and molecules

    SciTech Connect

    Inokuti, Mitio

    1985-01-01

    A large volume of data of these cross sections are required for solving problems of radiological physics and dosimetry, as well as for detailed analysis of the earliest stage of radiation actions on matter (including the biological cell and substances constituting it). Current experimental data of the cross sections are far from being complete or even satisfactory for tentative applications. One practical approach to the cross-section determination is to test experimental data with general criteria. For example, the Bethe theory indicates a close connection between photoabsorption and energy absorption by glancing collisions. Development and use of these data constraints, first put forth by Platzman, can now be demonstrated in many examples. More recent studies concern the determination of the analytic expression most suitable for fitting the data on the oscillator-strength distribution or the energy distribution of secondary electrons from ionizing collisions of charged particles. There are three areas to which major efforts should be directed. First, methods of absolute cross-section measurements both for electron and ionic collisions must be thoroughly reviewed so that sources of systematic errors may be identified and corrected. Second, efforts should be devoted to the understanding of the data systematics, viz., the trends of cross sections for a series of molecules. Finally, electron and ionic collisions with molecules in condensed phases will be an important topic of study for years to come; initial reports on efforts toward this direction are encouraging. 46 refs.

  14. Electron removal from H0(n) in fast collisions with multiply charged ions

    NASA Astrophysics Data System (ADS)

    Kim, H. J.; Meyer, F. W.

    1982-09-01

    The cross sections for electron removal from highly excited (n=9-24) hydrogen atoms in fast collisions with multiply charged (q=1-5) N, O, and Ar ions were investigated in an ion-atom crossed-beams experiment. The ion-atom collisions occurred inside a deflector where a moderate electrostatic field of up to 1.8 kV/cm was applied. The range of collision velocity (vc) investigated is vc=1.0v1-2.0v1, where v1=2.2×108 cm/s is the Bohr velocity. The electron-removal cross section was found to be independent of ion species for a given q and vc, to increase as q2 for a given vc, and to decrease as v-2c for a given q. These q and vc dependences of the experimental cross section are in accord with classical Coulomb ionization theories. The experimental n dependence of the cross section differs significantly from the theoretically predicted dependence, but the difference can be accounted for if we assume the presence of the external electric field in the collision volume reduces the ionization energy.

  15. Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

    SciTech Connect

    Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.

    2013-07-28

    Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conical intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D{sub 6h} Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D{sub 2} eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D{sub 1}, D{sub 2} (N{sup +}-Phenyl, N-Phenyl{sup +}). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled

  16. Theory of ultrafast heterogeneous electron transfer: Contributions of direct charge transfer excitations to the absorbance

    SciTech Connect

    Wang, Luxia; Willig, Frank; May, Volkhard

    2007-04-07

    Absorption spectra related to heterogeneous electron transfer are analyzed with the focus on direct charge transfer transition from the surface attached molecule into the semiconductor band states. The computations are based on a model of reduced dimensionality with a single intramolecular vibrational coordinate but a complete account for the continuum of conduction band states. The applicability of this model to perylene on TiO{sub 2} has been demonstrated in a series of earlier papers. Here, based on a time-dependent formulation, the absorbance is calculated with the inclusion of charge transfer excitations. A broad parameter set inspired by the perylene TiO{sub 2} systems is considered. In particular, the description generalizes the Fano effect to heterogeneous electron transfer reactions. Preliminary simulations of measured spectra are presented for perylene-catechol attached to TiO{sub 2}.

  17. Dual Fluorescence in GFP Chromophore Analogues: Chemical Modulation of Charge Transfer and Proton Transfer Bands.

    PubMed

    Chatterjee, Tanmay; Mandal, Mrinal; Das, Ananya; Bhattacharyya, Kalishankar; Datta, Ayan; Mandal, Prasun K

    2016-04-14

    Dual fluorescence of GFP chromophore analogues has been observed for the first time. OHIM (o-hydroxy imidazolidinone) shows only a charge transfer (CT) band, CHBDI (p-cyclicamino o-hydroxy benzimidazolidinone) shows a comparable intensity CT and PT (proton transfer) band, and MHBDI (p-methoxy o-hydroxy benzimidazolidinone) shows a higher intensity PT band. It could be shown that the differential optical behavior is not due to conformational variation in the solid or solution phase. Rather, control of the excited state electronic energy level and excited state acidity constant by functional group modification could be shown to be responsible for the differential optical behavior. Chemical modification-induced electronic control over the relative intensity of the charge transfer and proton transfer bands could thus be evidenced. Support from single-crystal X-ray structure, NMR, femtosecond to nanosecond fluorescence decay analysis, and TDDFT-based calculation provided important information and thus helped us understand the photophysics better.

  18. Beam-energy dependence of charge separation along the magnetic field in Au+Au collisions at RHIC.

    PubMed

    Adamczyk, L; Adkins, J K; Agakishiev, G; Aggarwal, M M; Ahammed, Z; Alekseev, I; Alford, J; Anson, C D; Aparin, A; Arkhipkin, D; Aschenauer, E C; Averichev, G S; Banerjee, A; Beavis, D R; Bellwied, R; Bhasin, A; Bhati, A K; Bhattarai, P; Bichsel, H; Bielcik, J; Bielcikova, J; Bland, L C; Bordyuzhin, I G; Borowski, W; Bouchet, J; Brandin, A V; Brovko, S G; Bültmann, S; Bunzarov, I; Burton, T P; Butterworth, J; Caines, H; Calderón de la Barca Sánchez, M; Cebra, D; Cendejas, R; Cervantes, M C; Chaloupka, P; Chang, Z; Chattopadhyay, S; Chen, H F; Chen, J H; Chen, L; Cheng, J; Cherney, M; Chikanian, A; Christie, W; Chwastowski, J; Codrington, M J M; Contin, G; Cramer, J G; Crawford, H J; Cui, X; Das, S; Davila Leyva, A; De Silva, L C; Debbe, R R; Dedovich, T G; Deng, J; Derevschikov, A A; Derradi de Souza, R; Dhamija, S; di Ruzza, B; Didenko, L; Dilks, C; Ding, F; Djawotho, P; Dong, X; Drachenberg, J L; Draper, J E; Du, C M; Dunkelberger, L E; Dunlop, J C; Efimov, L G; Engelage, J; Engle, K S; Eppley, G; Eun, L; Evdokimov, O; Eyser, O; Fatemi, R; Fazio, S; Fedorisin, J; Filip, P; Finch, E; Fisyak, Y; Flores, C E; Gagliardi, C A; Gangadharan, D R; Garand, D; Geurts, F; Gibson, A; Girard, M; Gliske, S; Greiner, L; Grosnick, D; Gunarathne, D S; Guo, Y; Gupta, A; Gupta, S; Guryn, W; Haag, B; Hamed, A; Han, L-X; Haque, R; Harris, J W; Heppelmann, S; Hirsch, A; Hoffmann, G W; Hofman, D J; Horvat, S; Huang, B; Huang, H Z; Huang, X; Huck, P; Humanic, T J; Igo, G; Jacobs, W W; Jang, H; Judd, E G; Kabana, S; Kalinkin, D; Kang, K; Kauder, K; Ke, H W; Keane, D; Kechechyan, A; Kesich, A; Khan, Z H; Kikola, D P; Kisel, I; Kisiel, A; Koetke, D D; Kollegger, T; Konzer, J; Koralt, I; Kotchenda, L; Kraishan, A F; Kravtsov, P; Krueger, K; Kulakov, I; Kumar, L; Kycia, R A; Lamont, M A C; Landgraf, J M; Landry, K D; Lauret, J; Lebedev, A; Lednicky, R; Lee, J H; LeVine, M J; Li, C; Li, W; Li, X; Li, X; Li, Y; Li, Z M; Lisa, M A; Liu, F; Ljubicic, T; Llope, W J; Lomnitz, M; Longacre, R S; Luo, X; Ma, G L; Ma, Y G; Madagodagettige Don, D M M D; Mahapatra, D P; Majka, R; Margetis, S; Markert, C; Masui, H; Matis, H S; McDonald, D; McShane, T S; Minaev, N G; Mioduszewski, S; Mohanty, B; Mondal, M M; Morozov, D A; Mustafa, M K; Nandi, B K; Nasim, Md; Nayak, T K; Nelson, J M; Nigmatkulov, G; Nogach, L V; Noh, S Y; Novak, J; Nurushev, S B; Odyniec, G; Ogawa, A; Oh, K; Ohlson, A; Okorokov, V; Oldag, E W; Olvitt, D L; Pachr, M; Page, B S; Pal, S K; Pan, Y X; Pandit, Y; Panebratsev, Y; Pawlak, T; Pawlik, B; Pei, H; Perkins, C; Peryt, W; Pile, P; Planinic, M; Pluta, J; Poljak, N; Porter, J; Poskanzer, A M; Pruthi, N K; Przybycien, M; Pujahari, P R; Putschke, J; Qiu, H; Quintero, A; Ramachandran, S; Raniwala, R; Raniwala, S; Ray, R L; Riley, C K; Ritter, H G; Roberts, J B; Rogachevskiy, O V; Romero, J L; Ross, J F; Roy, A; Ruan, L; Rusnak, J; Rusnakova, O; Sahoo, N R; Sahu, P K; Sakrejda, I; Salur, S; Sandweiss, J; Sangaline, E; Sarkar, A; Schambach, J; Scharenberg, R P; Schmah, A M; Schmidke, W B; Schmitz, N; Seger, J; Seyboth, P; Shah, N; Shahaliev, E; Shanmuganathan, P V; Shao, M; Sharma, B; Shen, W Q; Shi, S S; Shou, Q Y; Sichtermann, E P; Singaraju, R N; Skoby, M J; Smirnov, D; Smirnov, N; Solanki, D; Sorensen, P; Spinka, H M; Srivastava, B; Stanislaus, T D S; Stevens, J R; Stock, R; Strikhanov, M; Stringfellow, B; Sumbera, M; Sun, X; Sun, X M; Sun, Y; Sun, Z; Surrow, B; Svirida, D N; Symons, T J M; Szelezniak, M A; Takahashi, J; Tang, A H; Tang, Z; Tarnowsky, T; Thomas, J H; Timmins, A R; Tlusty, D; Tokarev, M; Trentalange, S; Tribble, R E; Tribedy, P; Trzeciak, B A; Tsai, O D; Turnau, J; Ullrich, T; Underwood, D G; Van Buren, G; van Nieuwenhuizen, G; Vandenbroucke, M; Vanfossen, J A; Varma, R; Vasconcelos, G M S; Vasiliev, A N; Vertesi, R; Videbæk, F; Viyogi, Y P; Vokal, S; Voloshin, S A; Vossen, A; Wada, M; Wang, F; Wang, G; Wang, H; Wang, J S; Wang, X L; Wang, Y; Wang, Y; Webb, G; Webb, J C; Westfall, G D; Wieman, H; Wissink, S W; Witt, R; Wu, Y F; Xiao, Z; Xie, W; Xin, K; Xu, H; Xu, J; Xu, N; Xu, Q H; Xu, Y; Xu, Z; Yan, W; Yang, C; Yang, Y; Yang, Y; Ye, Z; Yepes, P; Yi, L; Yip, K; Yoo, I-K; Yu, N; Zawisza, Y; Zbroszczyk, H; Zha, W; Zhang, J B; Zhang, J L; Zhang, S; Zhang, X P; Zhang, Y; Zhang, Z P; Zhao, F; Zhao, J; Zhong, C; Zhu, X; Zhu, Y H; Zoulkarneeva, Y; Zyzak, M

    2014-08-01

    Local parity-odd domains are theorized to form inside a quark-gluon plasma which has been produced in high-energy heavy-ion collisions. The local parity-odd domains manifest themselves as charge separation along the magnetic field axis via the chiral magnetic effect. The experimental observation of charge separation has previously been reported for heavy-ion collisions at the top RHIC energies. In this Letter, we present the results of the beam-energy dependence of the charge correlations in Au+Au collisions at midrapidity for center-of-mass energies of 7.7, 11.5, 19.6, 27, 39, and 62.4 GeV from the STAR experiment. After background subtraction, the signal gradually reduces with decreased beam energy and tends to vanish by 7.7 GeV. This implies the dominance of hadronic interactions over partonic ones at lower collision energies.

  19. Beam-Energy Dependence of Charge Separation along the Magnetic Field in Au +Au Collisions at RHIC

    NASA Astrophysics Data System (ADS)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Averichev, G. S.; Banerjee, A.; Beavis, D. R.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bichsel, H.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Borowski, W.; Bouchet, J.; Brandin, A. V.; Brovko, S. G.; Bültmann, S.; Bunzarov, I.; Burton, T. P.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Cebra, D.; Cendejas, R.; Cervantes, M. C.; Chaloupka, P.; Chang, Z.; Chattopadhyay, S.; Chen, H. F.; Chen, J. H.; Chen, L.; Cheng, J.; Cherney, M.; Chikanian, A.; Christie, W.; Chwastowski, J.; Codrington, M. J. M.; Contin, G.; Cramer, J. G.; Crawford, H. J.; Cui, X.; Das, S.; Davila Leyva, A.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; Derradi de Souza, R.; Dhamija, S.; di Ruzza, B.; Didenko, L.; Dilks, C.; Ding, F.; Djawotho, P.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Engelage, J.; Engle, K. S.; Eppley, G.; Eun, L.; Evdokimov, O.; Eyser, O.; Fatemi, R.; Fazio, S.; Fedorisin, J.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, C. E.; Gagliardi, C. A.; Gangadharan, D. R.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Gliske, S.; Greiner, L.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, A.; Gupta, S.; Guryn, W.; Haag, B.; Hamed, A.; Han, L.-X.; Haque, R.; Harris, J. W.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Hofman, D. J.; Horvat, S.; Huang, B.; Huang, H. Z.; Huang, X.; Huck, P.; Humanic, T. J.; Igo, G.; Jacobs, W. W.; Jang, H.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Kesich, A.; Khan, Z. H.; Kikola, D. P.; Kisel, I.; Kisiel, A.; Koetke, D. D.; Kollegger, T.; Konzer, J.; Koralt, I.; Kotchenda, L.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kulakov, I.; Kumar, L.; Kycia, R. A.; Lamont, M. A. C.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; LeVine, M. J.; Li, C.; Li, W.; Li, X.; Li, X.; Li, Y.; Li, Z. M.; Lisa, M. A.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Ma, G. L.; Ma, Y. G.; Madagodagettige Don, D. M. M. D.; Mahapatra, D. P.; Majka, R.; Margetis, S.; Markert, C.; Masui, H.; Matis, H. S.; McDonald, D.; McShane, T. S.; Minaev, N. G.; Mioduszewski, S.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nigmatkulov, G.; Nogach, L. V.; Noh, S. Y.; Novak, J.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Ohlson, A.; Okorokov, V.; Oldag, E. W.; Olvitt, D. L.; Pachr, M.; Page, B. S.; Pal, S. K.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlak, T.; Pawlik, B.; Pei, H.; Perkins, C.; Peryt, W.; Pile, P.; Planinic, M.; Pluta, J.; Poljak, N.; Porter, J.; Poskanzer, A. M.; Pruthi, N. K.; Przybycien, M.; Pujahari, P. R.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Raniwala, R.; Raniwala, S.; Ray, R. L.; Riley, C. K.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Ross, J. F.; Roy, A.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Sakrejda, I.; Salur, S.; Sandweiss, J.; Sangaline, E.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, B.; Shen, W. Q.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Singaraju, R. N.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Solanki, D.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stevens, J. R.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Sumbera, M.; Sun, X.; Sun, X. M.; Sun, Y.; Sun, Z.; Surrow, B.; Svirida, D. N.; Symons, T. J. M.; Szelezniak, M. A.; Takahashi, J.; Tang, A. H.; Tang, Z.; Tarnowsky, T.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Trzeciak, B. A.; Tsai, O. D.; Turnau, J.; Ullrich, T.; Underwood, D. G.; Van Buren, G.; van Nieuwenhuizen, G.; Vandenbroucke, M.; Vanfossen, J. A.; Varma, R.; Vasconcelos, G. M. S.; Vasiliev, A. N.; Vertesi, R.; Videbæk, F.; Viyogi, Y. P.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wada, M.; Wang, F.; Wang, G.; Wang, H.; Wang, J. S.; Wang, X. L.; Wang, Y.; Wang, Y.; Webb, G.; Webb, J. C.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y. F.; Xiao, Z.; Xie, W.; Xin, K.; Xu, H.; Xu, J.; Xu, N.; Xu, Q. H.; Xu, Y.; Xu, Z.; Yan, W.; Yang, C.; Yang, Y.; Yang, Y.; Ye, Z.; Yepes, P.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zawisza, Y.; Zbroszczyk, H.; Zha, W.; Zhang, J. B.; Zhang, J. L.; Zhang, S.; Zhang, X. P.; Zhang, Y.; Zhang, Z. P.; Zhao, F.; Zhao, J.; Zhong, C.; Zhu, X.; Zhu, Y. H.; Zoulkarneeva, Y.; Zyzak, M.; STAR Collaboration

    2014-08-01

    Local parity-odd domains are theorized to form inside a quark-gluon plasma which has been produced in high-energy heavy-ion collisions. The local parity-odd domains manifest themselves as charge separation along the magnetic field axis via the chiral magnetic effect. The experimental observation of charge separation has previously been reported for heavy-ion collisions at the top RHIC energies. In this Letter, we present the results of the beam-energy dependence of the charge correlations in Au +Au collisions at midrapidity for center-of-mass energies of 7.7, 11.5, 19.6, 27, 39, and 62.4 GeV from the STAR experiment. After background subtraction, the signal gradually reduces with decreased beam energy and tends to vanish by 7.7 GeV. This implies the dominance of hadronic interactions over partonic ones at lower collision energies.

  20. Experimental and theoretical studies of the He(2+)-He system - Differential cross sections for direct, single-, and double-charge-transfer scattering at keV energies

    NASA Technical Reports Server (NTRS)

    Gao, R. S.; Dutta, C. M.; Lane, N. F.; Smith, K. A.; Stebbings, R. F.; Kimura, M.

    1992-01-01

    Measurements and calculations of differential cross sections for direct scattering, single-charge transfer, and double-charge transfer in collisions of 1.5-, 2.0-, 6.0-, and 10.0-keV (He-3)2+ with an He-4 target are reported. The measurements cover laboratory scattering angles below 1.5 deg with an angular resolution of about 0.03 deg. A quantum-mechanical molecular-state representation is employed in the calculations; in the case of single-charge transfer a two-state close-coupling calculation is carried out taking into account electron-translation effects. The theoretical calculations agree well with the experimental results for direct scattering and double-charge transfer. The present calculation identifies the origins of oscillatory structures observed in the differential cross sections.

  1. Fluctuations of conserved charges in relativistic heavy ion collisions: An introduction

    NASA Astrophysics Data System (ADS)

    Asakawa, Masayuki; Kitazawa, Masakiyo

    2016-09-01

    Bulk fluctuations of conserved charges measured by event-by-event analysis in relativistic heavy ion collisions are observables which are believed to carry significant amount of information on the hot medium created by the collisions. Active studies have been done recently experimentally, theoretically, and on the lattice. In particular, non-Gaussianity of the fluctuations has acquired much attention recently. In this review, we give a pedagogical introduction to these issues, and survey recent developments in this field of research. Starting from the definition of cumulants, basic concepts in fluctuation physics, such as thermal fluctuations in statistical mechanics and time evolution of fluctuations in diffusive systems, are described. Phenomena which are expected to occur in finite temperature and/or density QCD matter and their measurement by event-by-event analyses are also elucidated.

  2. Energy dependence of the transverse momentum distributions of charged particles in pp collisions measured by ALICE.

    PubMed

    Abelev, B; Adam, J; Adamová, D; Adare, A M; Aggarwal, M M; Aglieri Rinella, G; Agnello, M; Agocs, A G; Agostinelli, A; Ahammed, Z; Ahmad, N; Ahmad Masoodi, A; Ahmed, I; Ahn, S A; Ahn, S U; Aimo, I; Aiola, S; Ajaz, M; Akindinov, A; Aleksandrov, D; Alessandro, B; Alexandre, D; Alici, A; Alkin, A; Alme, J; Alt, T; Altini, V; Altinpinar, S; Altsybeev, I; Alves Garcia Prado, C; Andrei, C; Andronic, A; Anguelov, V; Anielski, J; Antičić, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshäuser, H; Arbor, N; Arcelli, S; Armesto, N; Arnaldi, R; Aronsson, T; Arsene, I C; Arslandok, M; Augustinus, A; Averbeck, R; Awes, T C; Äystö, J; Azmi, M D; Bach, M; Badalà, A; Baek, Y W; Bailhache, R; Bala, R; Baldisseri, A; Baltasar Dos Santos Pedrosa, F; Bán, J; Baral, R C; Barbera, R; Barile, F; Barnaföldi, G G; Barnby, L S; Barret, V; Bartke, J; Basile, M; Bastid, N; Basu, S; Bathen, B; Batigne, G; Batyunya, B; Batzing, P C; Baumann, C; Bearden, I G; Beck, H; Bedda, C; Behera, N K; Belikov, I; Bellini, F; Bellwied, R; Belmont-Moreno, E; Bencedi, G; Beole, S; Berceanu, I; Bercuci, A; Berdnikov, Y; Berenyi, D; Bergognon, A A E; Bertens, R A; Berzano, D; Betev, L; Bhasin, A; Bhati, A K; Bhom, J; Bianchi, L; Bianchi, N; Bianchin, C; Bielčík, J; Bielčíková, J; Bilandzic, A; Bjelogrlic, S; Blanco, F; Blanco, F; Blau, D; Blume, C; Bock, F; Bogdanov, A; Bøggild, H; Bogolyubsky, M; Boldizsár, L; Bombara, M; Book, J; Borel, H; Borissov, A; Bornschein, J; Botje, M; Botta, E; Böttger, S; Braidot, E; Braun-Munzinger, P; Bregant, M; Breitner, T; Broker, T A; Browning, T A; Broz, M; Brun, R; Bruna, E; Bruno, G E; Budnikov, D; Buesching, H; Bufalino, S; Buncic, P; Busch, O; Buthelezi, Z; Caffarri, D; Cai, X; Caines, H; Caliva, A; Calvo Villar, E; Camerini, P; Canoa Roman, V; Cara Romeo, G; Carena, F; Carena, W; Carminati, F; Casanova Díaz, A; Castillo Castellanos, J; Casula, E A R; Catanescu, V; Cavicchioli, C; Ceballos Sanchez, C; Cepila, J; Cerello, P; Chang, B; Chapeland, S; Charvet, J L; Chattopadhyay, S; Chattopadhyay, S; Cherney, M; Cheshkov, C; Cheynis, B; Chibante Barroso, V; Chinellato, D D; Chochula, P; Chojnacki, M; Choudhury, S; Christakoglou, P; Christensen, C H; Christiansen, P; Chujo, T; Chung, S U; Cicalo, C; Cifarelli, L; Cindolo, F; Cleymans, J; Colamaria, F; Colella, D; Collu, A; Colocci, M; Conesa Balbastre, G; Conesa Del Valle, Z; Connors, M E; Contin, G; Contreras, J G; Cormier, T M; Corrales Morales, Y; Cortese, P; Cortés Maldonado, I; Cosentino, M R; Costa, F; Crochet, P; Cruz Albino, R; Cuautle, E; Cunqueiro, L; Dainese, A; Dang, R; Danu, A; Das, K; Das, D; Das, I; Dash, A; Dash, S; De, S; Delagrange, H; Deloff, A; Dénes, E; Deppman, A; de Barros, G O V; De Caro, A; de Cataldo, G; de Cuveland, J; De Falco, A; De Gruttola, D; De Marco, N; De Pasquale, S; de Rooij, R; Diaz Corchero, M A; Dietel, T; Divià, R; Di Bari, D; Di Giglio, C; Di Liberto, S; Di Mauro, A; Di Nezza, P; Djuvsland, Ø; Dobrin, A; Dobrowolski, T; Dönigus, B; Dordic, O; Dubey, A K; Dubla, A; Ducroux, L; Dupieux, P; Dutta Majumdar, A K; D Erasmo, G; Elia, D; Emschermann, D; Engel, H; Erazmus, B; Erdal, H A; Eschweiler, D; Espagnon, B; Estienne, M; Esumi, S; Evans, D; Evdokimov, S; Eyyubova, G; Fabris, D; Faivre, J; Falchieri, D; Fantoni, A; Fasel, M; Fehlker, D; Feldkamp, L; Felea, D; Feliciello, A; Feofilov, G; Fernández Téllez, A; Ferreiro, E G; Ferretti, A; Festanti, A; Figiel, J; Figueredo, M A S; Filchagin, S; Finogeev, D; Fionda, F M; Fiore, E M; Floratos, E; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Francescon, A; Frankenfeld, U; Fuchs, U; Furget, C; Fusco Girard, M; Gaardhøje, J J; Gagliardi, M; Gago, A; Gallio, M; Gangadharan, D R; Ganoti, P; Garabatos, C; Garcia-Solis, E; Gargiulo, C; Garishvili, I; Gerhard, J; Germain, M; Gheata, A; Gheata, M; Ghidini, B; Ghosh, P; Gianotti, P; Giubellino, P; Gladysz-Dziadus, E; Glässel, P; Goerlich, L; Gomez, R; González-Zamora, P; Gorbunov, S; Gotovac, S; Graczykowski, L K; Grajcarek, R; Grelli, A; Grigoras, C; Grigoras, A; Grigoriev, V; Grigoryan, A; Grigoryan, S; Grinyov, B; Grion, N; Grosse-Oetringhaus, J F; Grossiord, J-Y; Grosso, R; Guber, F; Guernane, R; Guerzoni, B; Guilbaud, M; Gulbrandsen, K; Gulkanyan, H; Gunji, T; Gupta, A; Gupta, R; Khan, K H; Haake, R; Haaland, Ø; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Hanratty, L D; Hansen, A; Harris, J W; Harton, A; Hatzifotiadou, D; Hayashi, S; Hayrapetyan, A; Heckel, S T; Heide, M; Helstrup, H; Herghelegiu, A; Herrera Corral, G; Herrmann, N; Hess, B A; Hetland, K F; Hicks, B; Hippolyte, B; Hori, Y; Hristov, P; Hřivnáčová, I; Huang, M; Humanic, T J; Hutter, D; Hwang, D S; Ichou, R; Ilkaev, R; Ilkiv, I; Inaba, M; Incani, E; Innocenti, G M; Ionita, C; Ippolitov, M; Irfan, M; Ivanov, V; Ivanov, M; Ivanytskyi, O; Jachołkowski, A; Jahnke, C; Jang, H J; Janik, M A; Jayarathna, P H S Y; Jena, S; Jimenez Bustamante, R T; Jones, P G; Jung, H; Jusko, A; Kalcher, S; Kaliňák, P; Kalliokoski, T; Kalweit, A; Kang, J H; Kaplin, V; Kar, S; Karasu Uysal, A; Karavichev, O; Karavicheva, T; Karpechev, E; Kazantsev, A; Kebschull, U; Keidel, R; Ketzer, B; Khan, S A; Khan, M M; Khan, P; Khanzadeev, A; Kharlov, Y; Kileng, B; Kim, S; Kim, D W; Kim, D J; Kim, B; Kim, T; Kim, M; Kim, M; Kim, J S; Kirsch, S; Kisel, I; Kiselev, S; Kisiel, A; Kiss, G; Klay, J L; Klein, J; Klein-Bösing, C; Kluge, A; Knichel, M L; Knospe, A G; Köhler, M K; Kollegger, T; Kolojvari, A; Kondratiev, V; Kondratyeva, N; Konevskikh, A; Kovalenko, V; Kowalski, M; Kox, S; Koyithatta Meethaleveedu, G; Kral, J; Králik, I; Kramer, F; Kravčáková, A; Krelina, M; Kretz, M; Krivda, M; Krizek, F; Krus, M; Kryshen, E; Krzewicki, M; Kucera, V; Kucheriaev, Y; Kugathasan, T; Kuhn, C; Kuijer, P G; Kulakov, I; Kumar, J; Kurashvili, P; Kurepin, A B; Kurepin, A; Kuryakin, A; Kushpil, S; Kushpil, V; Kweon, M J; Kwon, Y; Ladrón de Guevara, P; Lagana Fernandes, C; Lakomov, I; Langoy, R; Lara, C; Lardeux, A; La Pointe, S L; La Rocca, P; Lea, R; Lechman, M; Lee, S C; Lee, G R; Legrand, I; Lehnert, J; Lemmon, R C; Lenhardt, M; Lenti, V; León Monzón, I; Lévai, P; Li, S; Lien, J; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Ljunggren, H M; Lodato, D F; Loenne, P I; Loggins, V R; Loginov, V; Lohner, D; Loizides, C; Loo, K K; Lopez, X; López Torres, E; Løvhøiden, G; Lu, X-G; Luettig, P; Lunardon, M; Luo, J; Luparello, G; Luzzi, C; Jacobs, P M; Ma, R; Maevskaya, A; Mager, M; Mahapatra, D P; Maire, A; Malaev, M; Maldonado Cervantes, I; Malinina, L; Mal'Kevich, D; Malzacher, P; Mamonov, A; Manceau, L; Manko, V; Manso, F; Manzari, V; Marchisone, M; Mareš, J; Margagliotti, G V; Margotti, A; Marín, A; Markert, C; Marquard, M; Martashvili, I; Martin, N A; Martinengo, P; Martínez, M I; Martínez García, G; Martin Blanco, J; Martynov, Y; Mas, A; Masciocchi, S; Masera, M; Masoni, A; Massacrier, L; Mastroserio, A; Matyja, A; Mazer, J; Mazumder, R; Mazzoni, M A; Meddi, F; Menchaca-Rocha, A; Mercado Pérez, J; Meres, M; Miake, Y; Mikhaylov, K; Milano, L; Milosevic, J; Mischke, A; Mishra, A N; Miśkowiec, D; Mitu, C; Mlynarz, J; Mohanty, B; Molnar, L; Montaño Zetina, L; Monteno, M; Montes, E; Moon, T; Morando, M; Moreira De Godoy, D A; Moretto, S; Morreale, A; Morsch, A; Muccifora, V; Mudnic, E; Muhuri, S; Mukherjee, M; Müller, H; Munhoz, M G; Murray, S; Musa, L; Nandi, B K; Nania, R; Nappi, E; Nattrass, C; Nayak, T K; Nazarenko, S; Nedosekin, A; Nicassio, M; Niculescu, M; Nielsen, B S; Nikolaev, S; Nikulin, S; Nikulin, V; Nilsen, B S; Nilsson, M S; Noferini, F; Nomokonov, P; Nooren, G; Nyanin, A; Nyatha, A; Nystrand, J; Oeschler, H; Oh, S K; Oh, S; Olah, L; Oleniacz, J; Oliveira Da Silva, A C; Onderwaater, J; Oppedisano, C; Ortiz Velasquez, A; Oskarsson, A; Otwinowski, J; Oyama, K; Pachmayer, Y; Pachr, M; Pagano, P; Paić, G; Painke, F; Pajares, C; Pal, S K; Palaha, A; Palmeri, A; Papikyan, V; Pappalardo, G S; Park, W J; Passfeld, A; Patalakha, D I; Paticchio, V; Paul, B; Pawlak, T; Peitzmann, T; Pereira Da Costa, H; Pereira De Oliveira Filho, E; Peresunko, D; Pérez Lara, C E; Perrino, D; Peryt, W; Pesci, A; Pestov, Y; Petráček, V; Petran, M; Petris, M; Petrov, P; Petrovici, M; Petta, C; Piano, S; Pikna, M; Pillot, P; Pinazza, O; Pinsky, L; Pitz, N; Piyarathna, D B; Planinic, M; Płoskoń, M; Pluta, J; Pochybova, S; Podesta-Lerma, P L M; Poghosyan, M G; Polichtchouk, B; Poljak, N; Pop, A; Porteboeuf-Houssais, S; Pospíšil, V; Potukuchi, B; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puddu, G; Punin, V; Putschke, J; Qvigstad, H; Rachevski, A; Rademakers, A; Rak, J; Rakotozafindrabe, A; Ramello, L; Raniwala, S; Raniwala, R; Räsänen, S S; Rascanu, B T; Rathee, D; Rauch, W; Rauf, A W; Razazi, V; Read, K F; Real, J S; Redlich, K; Reed, R J; Rehman, A; Reichelt, P; Reicher, M; Reidt, F; Renfordt, R; Reolon, A R; Reshetin, A; Rettig, F; Revol, J-P; Reygers, K; Riccati, L; Ricci, R A; Richert, T; Richter, M; Riedler, P; Riegler, W; Riggi, F; Rivetti, A; Rodríguez Cahuantzi, M; Rodriguez Manso, A; Røed, K; Rogochaya, E; Rohni, S; Rohr, D; Röhrich, D; Romita, R; Ronchetti, F; Rosnet, P; Rossegger, S; Rossi, A; Roy, P; Roy, C; Rubio Montero, A J; Rui, R; Russo, R; Ryabinkin, E; Rybicki, A; Sadovsky, S; Šafařík, K; Sahoo, R; Sahu, P K; Saini, J; Sakaguchi, H; Sakai, S; Sakata, D; Salgado, C A; Salzwedel, J; Sambyal, S; Samsonov, V; Sanchez Castro, X; Šándor, L; Sandoval, A; Sano, M; Santagati, G; Santoro, R; Sarkar, D; Scapparone, E; Scarlassara, F; Scharenberg, R P; Schiaua, C; Schicker, R; Schmidt, C; Schmidt, H R; Schuchmann, S; Schukraft, J; Schulc, M; Schuster, T; Schutz, Y; Schwarz, K; Schweda, K; Scioli, G; Scomparin, E; Scott, R; Scott, P A; Segato, G; Selyuzhenkov, I; Seo, J; Serci, S; Serradilla, E; Sevcenco, A; Shabetai, A; Shabratova, G; Shahoyan, R; Sharma, S; Sharma, N; Shigaki, K; Shtejer, K; Sibiriak, Y; Siddhanta, S; Siemiarczuk, T; Silvermyr, D; Silvestre, C; Simatovic, G; Singaraju, R; Singh, R; Singha, S; Singhal, V; Sinha, B C; Sinha, T; Sitar, B; Sitta, M; Skaali, T B; Skjerdal, K; Smakal, R; Smirnov, N; Snellings, R J M; Søgaard, C; Soltz, R; Song, M; Song, J; Soos, C; Soramel, F; Spacek, M; Sputowska, I; Spyropoulou-Stassinaki, M; Srivastava, B K; Stachel, J; Stan, I; Stefanek, G; Steinpreis, M; Stenlund, E; Steyn, G; Stiller, J H; Stocco, D; Stolpovskiy, M; Strmen, P; Suaide, A A P; Subieta Vásquez, M A; Sugitate, T; Suire, C; Suleymanov, M; Sultanov, R; Šumbera, M; Susa, T; Symons, T J M; Szanto de Toledo, A; Szarka, I; Szczepankiewicz, A; Szymański, M; Takahashi, J; Tangaro, M A; Tapia Takaki, J D; Tarantola Peloni, A; Tarazona Martinez, A; Tauro, A; Tejeda Muñoz, G; Telesca, A; Terrevoli, C; Ter Minasyan, A; Thäder, J; Thomas, D; Tieulent, R; Timmins, A R; Toia, A; Torii, H; Trubnikov, V; Trzaska, W H; Tsuji, T; Tumkin, A; Turrisi, R; Tveter, T S; Ulery, J; Ullaland, K; Ulrich, J; Uras, A; Urciuoli, G M; Usai, G L; Vajzer, M; Vala, M; Valencia Palomo, L; Vande Vyvre, P; Vannucci, L; Van Hoorne, J W; van Leeuwen, M; Vargas, A; Varma, R; Vasileiou, M; Vasiliev, A; Vechernin, V; Veldhoen, M; Venaruzzo, M; Vercellin, E; Vergara, S; Vernet, R; Verweij, M; Vickovic, L; Viesti, G; Viinikainen, J; Vilakazi, Z; Villalobos Baillie, O; Vinogradov, A; Vinogradov, L; Vinogradov, Y; Virgili, T; Viyogi, Y P; Vodopyanov, A; Völkl, M A; Voloshin, S; Voloshin, K; Volpe, G; von Haller, B; Vorobyev, I; Vranic, D; Vrláková, J; Vulpescu, B; Vyushin, A; Wagner, B; Wagner, V; Wagner, J; Wang, Y; Wang, Y; Wang, M; Watanabe, D; Watanabe, K; Weber, M; Wessels, J P; Westerhoff, U; Wiechula, J; Wikne, J; Wilde, M; Wilk, G; Wilkinson, J; Williams, M C S; Windelband, B; Winn, M; Xiang, C; Yaldo, C G; Yamaguchi, Y; Yang, H; Yang, P; Yang, S; Yano, S; Yasnopolskiy, S; Yi, J; Yin, Z; Yoo, I-K; Yushmanov, I; Zaccolo, V; Zach, C; Zampolli, C; Zaporozhets, S; Zarochentsev, A; Závada, P; Zaviyalov, N; Zbroszczyk, H; Zelnicek, P; Zgura, I S; Zhalov, M; Zhang, F; Zhang, Y; Zhang, H; Zhang, X; Zhou, D; Zhou, Y; Zhou, F; Zhu, X; Zhu, J; Zhu, J; Zhu, H; Zichichi, A; Zimmermann, M B; Zimmermann, A; Zinovjev, G; Zoccarato, Y; Zynovyev, M; Zyzak, M

    Differential cross sections of charged particles in inelastic pp collisions as a function of pT have been measured at [Formula: see text] at the LHC. The pT spectra are compared to NLO-pQCD calculations. Though the differential cross section for an individual [Formula: see text] cannot be described by NLO-pQCD, the relative increase of cross section with [Formula: see text] is in agreement with NLO-pQCD. Based on these measurements and observations, procedures are discussed to construct pp reference spectra at [Formula: see text] up to pT=50 GeV/c as required for the calculation of the nuclear modification factor in nucleus-nucleus and proton-nucleus collisions.

  3. SELF-CONSISTENT LANGEVIN SIMULATION OF COULOMB COLLISIONS IN CHARGED-PARTICLE BEAMS

    SciTech Connect

    J. QIANG; R. RYNE; S. HABIB

    2000-05-01

    In many plasma physics and charged-particle beam dynamics problems, Coulomb collisions are modeled by a Fokker-Planck equation. In order to incorporate these collisions, we present a three-dimensional parallel Langevin simulation method using a Particle-In-Cell (PIC) approach implemented on high-performance parallel computers. We perform, for the first time, a fully self-consistent simulation, in which the friction and diffusion coefficients are computed from first principles. We employ a two-dimensional domain decomposition approach within a message passing programming paradigm along with dynamic load balancing. Object oriented programming is used to encapsulate details of the communication syntax as well as to enhance reusability and extensibility. Performance tests on the SGI Origin 2000 and the Cray T3E-900 have demonstrated good scalability. Work is in progress to apply our technique to intrabeam scattering in accelerators.

  4. H type of hidden crossings in atomic collisions involving highly charged ions

    SciTech Connect

    Jakimovski, D.; Savichev, V.I.; Solovev, E.A. ||

    1996-10-01

    We examine the structure of the hidden crossings of the adiabatic potential curves {ital E}({ital R}) in the problem of two Coulomb centers with charges {ital Z}{sub 2} and {ital Z}{sub 1}, when {ital Z}{sub 2}{gt}{ital Z}{sub 1}. In this case we observe a new type of hidden crossing between the states ({ital n},{ital l},{ital m})-({ital n},{ital l}+1,{ital m}), where {ital n}, {ital l}, and {ital m} are the spherical quantum numbers of the united atom. This leads to the appearance of a mechanism of nonadiabatic transitions in hydrogen{emdash}multicharged ion collisions. As an example of this mechanism we present results of a calculation of inelastic transitions in O{sup 7+}(1{ital s})+H collisions. {copyright} {ital 1996 The American Physical Society.}

  5. Line strengths, collision strengths and excitation rates for multiply-charged silicon ions

    NASA Technical Reports Server (NTRS)

    Davis, J.; Kepple, P. C.; Blaha, M.

    1977-01-01

    In the present paper, the line strengths, collision strengths, and rate coefficients are calculated for a variety of transitions in multiply charged silicon ions from Si(VI) to Si(XIV). The line strengths are obtained by using Clementi wave functions for the ground-state configuration, and excited-state wave functions generated by a semiempirical method. The collision strengths are calculated in an LS coupling scheme in the distorted-wave approximation, neglecting exchange except for the helium-like transitions. These results are then integrated over a Maxwellian velocity distribution function to yield rate coefficients. The rates are presented graphically and also in terms of a two-parameter fit.

  6. Flow-background subtraction in the charge-separation measurements in heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Wen, Fufang

    2016-09-01

    Recent azimuthal-angle correlation measurements in high-energy heavy-ion collisions have observed charge-separation signals perpendicular to the reaction plane, and the observations have been related to the chiral magnetic effect (CME). However, the correlation signal is contaminated with the background contributions due to the collective motion (flow) of the collision system, and it remains elusive to effectively remove the background from the correlation. In this poster, we present a method study with a simple Monte Carlo simulation and the AMPT model. We develop a scheme to reveal the true CME signal via the event-shape engineering with the magnitude of the flow vector, Q: the flow-background is removed at Q = 0. Artificial signal/background effects will also be discussed.

  7. Line strengths, collision strengths and excitation rates for multiply-charged silicon ions

    NASA Technical Reports Server (NTRS)

    Davis, J.; Kepple, P. C.; Blaha, M.

    1977-01-01

    In the present paper, the line strengths, collision strengths, and rate coefficients are calculated for a variety of transitions in multiply charged silicon ions from Si(VI) to Si(XIV). The line strengths are obtained by using Clementi wave functions for the ground-state configuration, and excited-state wave functions generated by a semiempirical method. The collision strengths are calculated in an LS coupling scheme in the distorted-wave approximation, neglecting exchange except for the helium-like transitions. These results are then integrated over a Maxwellian velocity distribution function to yield rate coefficients. The rates are presented graphically and also in terms of a two-parameter fit.

  8. Metastable charge-transfer state of californium(iii) compounds.

    PubMed

    Liu, Guokui; Cary, Samantha K; Albrecht-Schmitt, Thomas E

    2015-06-28

    Among a series of anomalous physical and chemical properties of Cf(iii) compounds revealed by recent investigations, the present work addresses the characteristics of the optical spectra of An(HDPA)3·H2O (An = Am, Cm, and Cf), especially the broadband photoluminescence from Cf(HDPA)3·H2O induced by ligand-to-metal charge transfer (CT). As a result of strong ion-ligand interactions and the relative ease of reducing Cf(iii) to Cf(ii), a CT transition occurs at low energy (<3 eV) via the formation of a metastable Cf(ii) state. It is shown that the systematic trend in CT transitions of the lanthanide series is not paralleled by actinide elements lighter than Cf(iii), and californium represents a turning point in the periodicity of the actinide series. Analyses and modeling of the temperature-dependent luminescence dynamics indicate that the metastable Cf(ii) charge-transfer state undergoes radiative and non-radiative relaxations. Broadening of the CT transition arises from strong vibronic coupling and hole-charge interactions in the valence band. The non-radiative relaxation of the metastable CT state results from a competition between phonon-relaxation and thermal tunneling that populates the excited states of Cf(iii).

  9. Super-iron Nanoparticles with Facile Cathodic Charge Transfer

    SciTech Connect

    M Farmand; D Jiang; B Wang; S Ghosh; D Ramaker; S Licht

    2011-12-31

    Super-irons contain the + 6 valence state of iron. One advantage of this is that it provides a multiple electron opportunity to store additional battery charge. A decrease of particle size from the micrometer to the nanometer domain provides a higher surface area to volume ratio, and opportunity to facilitate charge transfer, and improve the power, voltage and depth of discharge of cathodes made from such salts. However, super-iron salts are fragile, readily reduced to the ferric state, with both heat and contact with water, and little is known of the resultant passivating and non-passivating ferric oxide products. A pathway to decrease the super-iron particle size to the nano-domain is introduced, which overcomes this fragility, and retains the battery capacity advantage of their Fe(VI) valence state. Time and power controlled mechanosynthesis, through less aggressive, dry ball milling, leads to facile charge transfer of super-iron nanoparticles. Ex-situ X-ray Absorption Spectroscopy is used to explore the oxidation state and structure of these iron oxides during discharge and shows the significant change in stability of the ferrate structure to lower oxidation state when the particle size is in the nano-domain.

  10. Pseudorapidity Density of Charged Particles in p+Pb Collisions at sNN=5.02TeV

    NASA Astrophysics Data System (ADS)

    Abelev, B.; Adam, J.; Adamová, D.; Adare, A. M.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agocs, A. G.; Agostinelli, A.; Ahammed, Z.; Ahmad, N.; Ahmad Masoodi, A.; Ahn, S. U.; Ahn, S. A.; Ajaz, M.; Akindinov, A.; Aleksandrov, D.; Alessandro, B.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Almaráz Aviña, E.; Alme, J.; Alt, T.; Altini, V.; Altinpinar, S.; Altsybeev, I.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Anson, C.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arbor, N.; Arcelli, S.; Arend, A.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Asryan, A.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Äystö, J.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bailhache, R.; Bala, R.; Baldini Ferroli, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Bán, J.; Baral, R. C.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartke, J.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batyunya, B.; Baumann, C.; Bearden, I. G.; Beck, H.; Behera, N. K.; Belikov, I.; Bellini, F.; Bellwied, R.; Belmont-Moreno, E.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bergognon, A. A. E.; Berzano, D.; Betev, L.; Bhasin, A.; Bhati, A. K.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Bjelogrlic, S.; Blanco, F.; Blanco, F.; Blau, D.; Blume, C.; Boccioli, M.; Böttger, S.; Bogdanov, A.; Bøggild, H.; Bogolyubsky, M.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Bossú, F.; Botje, M.; Botta, E.; Braidot, E.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Browning, T. A.; Broz, M.; Brun, R.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Busch, O.; Buthelezi, Z.; Caballero Orduna, D.; Caffarri, D.; Cai, X.; Caines, H.; Calvo Villar, E.; Camerini, P.; Canoa Roman, V.; Cara Romeo, G.; Carena, W.; Carena, F.; Carlin Filho, N.; Carminati, F.; Casanova Díaz, A.; Castillo Castellanos, J.; Castillo Hernandez, J. F.; Casula, E. A. R.; Catanescu, V.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chawla, I.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Coccetti, F.; Colamaria, F.; Colella, D.; Collu, A.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contin, G.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortese, P.; Cortés Maldonado, I.; Cosentino, M. R.; Costa, F.; Cotallo, M. E.; Crescio, E.; Crochet, P.; Cruz Alaniz, E.; Cuautle, E.; Cunqueiro, L.; Dainese, A.; Dalsgaard, H. H.; Danu, A.; Das, K.; Das, I.; Das, S.; Das, D.; Dash, S.; Dash, A.; De, S.; de Barros, G. O. V.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; Delagrange, H.; Deloff, A.; De Marco, N.; Dénes, E.; De Pasquale, S.; Deppman, A.; Erasmo, G. D.; de Rooij, R.; Diaz Corchero, M. A.; Di Bari, D.; Dietel, T.; Di Giglio, C.; Di Liberto, S.; Di Mauro, A.; Di Nezza, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Dönigus, B.; Dordic, O.; Driga, O.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Dutta Majumdar, M. R.; Dutta Majumdar, A. K.; Elia, D.; Emschermann, D.; Engel, H.; Erazmus, B.; Erdal, H. A.; Espagnon, B.; Estienne, M.; Esumi, S.; Evans, D.; Eyyubova, G.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fearick, R.; Fehlker, D.; Feldkamp, L.; Felea, D.; Feliciello, A.; Fenton-Olsen, B.; Feofilov, G.; Fernández Téllez, A.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Garabatos, C.; Garcia-Solis, E.; Garishvili, I.; Gerhard, J.; Germain, M.; Geuna, C.; Gheata, A.; Gheata, M.; Ghidini, B.; Ghosh, P.; Gianotti, P.; Girard, M. R.; Giubellino, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez, R.; Ferreiro, E. G.; González-Trueba, L. H.; González-Zamora, P.; Gorbunov, S.; Goswami, A.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Grajcarek, R.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, S.; Grigoryan, A.; Grinyov, B.; Grion, N.; Gros, P.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerra Gutierrez, C.; Guerzoni, B.; Guilbaud, M.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Han, B. H.; Hanratty, L. D.; Hansen, A.; Harmanová-Tóthová, Z.; Harris, J. W.; Hartig, M.; Harton, A.; Hasegan, D.; Hatzifotiadou, D.; Hayashi, S.; Hayrapetyan, A.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Herrmann, N.; Hess, B. A.; Hetland, K. F.; Hicks, B.; Hippolyte, B.; Hori, Y.; Hristov, P.; Hřivnáčová, I.; Huang, M.; Humanic, T. J.; Hwang, D. S.; Ichou, R.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Incani, E.; Innocenti, G. M.; Innocenti, P. G.; Ippolitov, M.; Irfan, M.; Ivan, C.; Ivanov, V.; Ivanov, A.; Ivanov, M.; Ivanytskyi, O.; Jachołkowski, A.; Jacobs, P. M.; Jang, H. J.; Janik, R.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, S.; Jha, D. M.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kaidalov, A. B.; Kalcher, S.; Kaliňák, P.; Kalliokoski, T.; Kalweit, A.; Kang, J. H.; Kaplin, V.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kazantsev, A.; Kebschull, U.; Keidel, R.; Khan, K. H.; Khan, P.; Khan, M. M.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, D. W.; Kim, T.; Kim, B.; Kim, J. H.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, D. J.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Klay, J. L.; Klein, J.; Klein-Bösing, C.; Kliemant, M.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Köhler, M. K.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Konevskikh, A.; Kour, R.; Kovalenko, V.; Kowalski, M.; Kox, S.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kramer, F.; Kravčáková, A.; Krawutschke, T.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Krus, M.; Kryshen, E.; Krzewicki, M.; Kucheriaev, Y.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, V.; Kushpil, S.; Kvaerno, H.; Kweon, M. J.; Kwon, Y.; Ladrón de Guevara, P.; Lakomov, I.; Langoy, R.; La Pointe, S. L.; Lara, C.; Lardeux, A.; La Rocca, P.; Lea, R.; Lechman, M.; Lee, K. S.; Lee, S. C.; Lee, G. R.; Legrand, I.; Lehnert, J.; Lenhardt, M.; Lenti, V.; León, H.; Leoncino, M.; León Monzón, I.; León Vargas, H.; Lévai, P.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Lohner, D.; Loizides, C.; Loo, K. K.; Lopez, X.; López Torres, E.; Løvhøiden, G.; Lu, X.-G.; Luettig, P.; Lunardon, M.; Luo, J.; Luparello, G.; Luzzi, C.; Ma, K.; Ma, R.; Madagodahettige-Don, D. M.; Maevskaya, A.; Mager, M.; Mahapatra, D. P.; Maire, A.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Mangotra, L.; Manko, V.; Manso, F.; Manzari, V.; Mao, Y.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Marín, A.; Markert, C.; Marquard, M.; Martashvili, I.; Martin, N. A.; Martinengo, P.; Martínez, M. I.; Martínez Davalos, A.; Martínez García, G.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Matthews, Z. L.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; Meddi, F.; Menchaca-Rocha, A.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Milano, L.; Milosevic, J.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitu, C.; Mizuno, S.; Mlynarz, J.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Monteno, M.; Montes, E.; Moon, T.; Morando, M.; Moreira De Godoy, D. A.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Muhuri, S.; Mukherjee, M.; Müller, H.; Munhoz, M. G.; Musa, L.; Musso, A.; Nandi, B. K.; Nania, R.; Nappi, E.; Nattrass, C.; Navin, S.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nicassio, M.; Niculescu, M.; Nielsen, B. S.; Niida, T.; Nikolaev, S.; Nikolic, V.; Nikulin, V.; Nikulin, S.; Nilsen, B. S.; Nilsson, M. S.; Noferini, F.; Nomokonov, P.; Nooren, G.; Novitzky, N.; Nyanin, A.; Nyatha, A.; Nygaard, C.; Nystrand, J.; Ochirov, A.; Oeschler, H.; Oh, S. K.; Oh, S.; Oleniacz, J.; Oliveira Da Silva, A. C.; Oppedisano, C.; Ortiz Velasquez, A.; Oskarsson, A.; Ostrowski, P.; Otwinowski, J.; Oyama, K.; Ozawa, K.; Pachmayer, Y.; Pachr, M.; Padilla, F.; Pagano, P.; Paić, G.; Painke, F.; Pajares, C.; Pal, S. K.; Palaha, A.; Palmeri, A.; Papikyan, V.; Pappalardo, G. S.; Park, W. J.; Passfeld, A.; Pastirčák, B.; Patalakha, D. I.; Paticchio, V.; Paul, B.; Pavlinov, A.; Pawlak, T.; Peitzmann, T.; Pereira Da Costa, H.; Pereira De Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Perini, D.; Perrino, D.; Peryt, W.; Pesci, A.; Peskov, V.; Pestov, Y.; Petráček, V.; Petran, M.; Petris, M.; Petrov, P.; Petrovici, M.; Petta, C.; Piano, S.; Piccotti, A.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Pitz, N.; Piyarathna, D. B.; Planinic, M.; Płoskoń, M.; Pluta, J.; Pocheptsov, T.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polák, K.; Polichtchouk, B.; Pop, A.; Porteboeuf-Houssais, S.; Pospíšil, V.; Potukuchi, B.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puddu, G.; Punin, V.; Putiš, M.; Putschke, J.; Quercigh, E.; Qvigstad, H.; Rachevski, A.; Rademakers, A.; Räihä, T. S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Ramírez Reyes, A.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reicher, M.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riccati, L.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Rosnet, P.; Rossegger, S.; Rossi, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahoo, R.; Sahu, P. K.; Saini, J.; Sakaguchi, H.; Sakai, S.; Sakata, D.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Šándor, L.; Sandoval, A.; Sano, M.; Sano, S.; Santagati, G.; Santoro, R.; Sarkamo, J.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schreiner, S.; Schuchmann, S.; Schukraft, J.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, P. A.; Scott, R.; Segato, G.; Selyuzhenkov, I.; Senyukov, S.; Seo, J.; Serci, S.; Serradilla, E.; Sevcenco, A.; Shabetai, A.; Shabratova, G.; Shahoyan, R.; Sharma, S.; Sharma, N.; Rohni, S.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siciliano, M.; Sicking, E.; Siddhanta, S.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Skjerdal, K.; Smakal, R.; Smirnov, N.; Snellings, R. J. M.; Søgaard, C.; Soltz, R.; Son, H.; Song, J.; Song, M.; Soos, C.; Soramel, F.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Stolpovskiy, M.; Strmen, P.; Suaide, A. A. P.; Subieta Vásquez, M. A.; Sugitate, T.; Suire, C.; Sultanov, R.; Šumbera, M.; Susa, T.; Symons, T. J. M.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szostak, A.; Szymański, M.; Takahashi, J.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tarazona Martinez, A.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terrevoli, C.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Tlusty, D.; Toia, A.; Torii, H.; Toscano, L.; Trubnikov, V.; Truesdale, D.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ulery, J.; Ullaland, K.; Ulrich, J.; Uras, A.; Urbán, J.; Urciuoli, G. M.; Usai, G. L.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; Vande Vyvre, P.; van Leeuwen, M.; Vannucci, L.; Vargas, A.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vechernin, V.; Veldhoen, M.; Venaruzzo, M.; Vercellin, E.; Vergara, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, Y.; Vinogradov, L.; Virgili, T.; Viyogi, Y. P.; Vodopyanov, A.; Voloshin, K.; Voloshin, S.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, V.; Wagner, B.; Wan, R.; Wang, Y.; Wang, M.; Wang, D.; Wang, Y.; Watanabe, K.; Weber, M.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilk, A.; Williams, M. C. S.; Windelband, B.; Xaplanteris Karampatsos, L.; Yaldo, C. G.; Yamaguchi, Y.; Yang, S.; Yang, H.; Yasnopolskiy, S.; Yi, J.; Yin, Z.; Yoo, I.-K.; Yoon, J.; Yu, W.; Yuan, X.; Yushmanov, I.; Zaccolo, V.; Zach, C.; Zampolli, C.; Zaporozhets, S.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zelnicek, P.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhou, F.; Zhou, D.; Zhou, Y.; Zhu, J.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zinovjev, G.; Zoccarato, Y.; Zynovyev, M.; Zyzak, M.

    2013-01-01

    The charged-particle pseudorapidity density measured over four units of pseudorapidity in nonsingle-diffractive p+Pb collisions at a center-of-mass energy per nucleon pair sNN=5.02TeV is presented. The average value at midrapidity is measured to be 16.81±0.71(syst), which corresponds to 2.14±0.17(syst) per participating nucleon, calculated with the Glauber model. This is 16% lower than in nonsingle-diffractive pp collisions interpolated to the same collision energy and 84% higher than in d+Au collisions at sNN=0.2TeV. The measured pseudorapidity density in p+Pb collisions is compared to model predictions and provides new constraints on the description of particle production in high-energy nuclear collisions.

  11. Transverse energy distribution, charged particle multiplicities and spectra in /sup 16/O-nucleus collisions

    SciTech Connect

    Sunier, J.W.

    1987-01-01

    The HELIOS (High Energy Lepton and Ion Spectrometer) experiment, installed at the CERN Super Proton Synchrotron, proposes to examine in details the physical properties of a state of high energy created in nuclei by ultra-relativistic nucleus-nucleus collisions. It is generally believed that, at high densities or temperatures, a phase transition to a plasma of quark and gluons will occur. The dynamic of the expansion of such a plasma and its subsequent condensation into a hadron gas should markedly affect the composition and momentum distribution of the emerging particles and photons. The HELIOS experimental setup therefore combines 4..pi.. calorimetric coverage with measurements of inclusive particle spectra, two particle correlations, low and high mass lepton pairs and photons. The emphasis is placed on transverse energy flow (E/sub T/) measurements with good energy resolution, and the ability to trigger the acquisition of data in a variety of E/sub T/ ranges, thereby selecting the impact parameter or the violence of the collisions. This short note presents HELIOS results, for the most part still preliminary, on /sup 16/O-nucleus collisions at the incident energies of 60 and 200 GeV per nucleon. The E/sub T/ distributions from Al, Ag and W targets are discussed and compared to the associated charged particle multiplicities from W. Charged particle and (converted) photon spectra measured with the external magnetic spectrometer are compared for /sup 16/O + W and p + W collisions at 200 GeV per nucleon. 5 refs., 7 figs.

  12. Experimental method to measure the effect of charge on bimolecular collision rates in electrolyte solutions.

    PubMed

    Bales, Barney L; Cadman, Kathleen M; Peric, Mirna; Schwartz, Robert N; Peric, Miroslav

    2011-10-13

    A stable, monoprotic nitroxide spin probe is utilized as a model to study molecular collisions in aqueous electrolyte solutions. The rate constants of bimolecular collisions, K(col) for 2,2,5,5-tetramethylpyrrolidin-1-oxyl-3-carboxylic acid (CP) when it is uncharged (at low pH) and K(col)⁻ when it is charged (CP⁻; at high pH), are measured as functions of temperature and ionic strength. The ratio f* ≡ K(col)⁻/K(col) is a direct measure of the effect of charge on the collision rate. Neglecting the small differences in size and diffusion coefficients of CP and CP⁻, f* is the fractional change in collision rate due to Coulomb repulsion which was treated theoretically in Debye's classic paper [Trans. Electr. Chem. Soc. 1942, 82, 265]. K(col) and K(col)⁻ are determined from EPR spectral changes due to spin-spin interactions which are dominated by Heisenberg spin exchange under the conditions of these experiments. Values of f* vary linearly with values of κ · d in the range 0.4 < κ · d < 1.8, where κ and d are the inverse Debye screening length and the distance at closest approach, respectively. Values of d obtained in two independent ways, (1) from rotational correlation times measured by EPR and (2) by insisting that the experimental results be consistent with the Debye theory at infinite dilution, yield similar results. As the ionic strength is increased (κ increased), the screening effect reduces the effect of the Coulomb barrier more slowly than predicted by the Debye theory. While values of K(col) and K(col)⁻ vary substantially with T, approximately following the Stokes-Einstein-Smoluchowski equation, values of f* depend only slightly on temperature at a given value of κ · d, as is predicted by Debye's theory.

  13. Ion-neutral collisions and dust grain charging in the presence of electromagnetic radiation in the Earth's Ionosphere

    NASA Astrophysics Data System (ADS)

    Kopnin, Sergey; Popel, Sergey; Morzhakova, Anastasia

    2010-05-01

    Ion-neutral collisions in dust particle charging process in the presence of electromagnetic radiation in Earth's "dusty" ionosphere are taken into account. These collisions can result in a charge exchange between a fast ion and a slow neutral. The slow neutrals become slow positively charged ions which interact effectively with positively charged dust grains. As a result a microscopic ion current on the dust grains decreases in comparison with the case when ion-neutral collisions are not taken into account in the dust grain charging process. The microscopic ion current on the positively charged dust grains is derived. A condition on neutral density is obtained for which the influence of ion-neutral collisions on dust particle charging process is important. It is shown that the effect of ion-neutral collisions should be taken into account when considering the charging of nano- and microsize dust grains in Noctilucent Clouds, Polar Mesosphere Summer Echoes, meteoritic dust, active geophysical rocket experiments such as Fluxus 1 and 2. We discuss also the effect of electrons with energies of the order of 1 eV which are produced as a result of photoelectric effect during the charging process, which can result in an increase of the electron temperature in plasmas. The most important effect resulting in cooling of such electrons is that of electron-ion collisions. We found a condition on the neutral density when the electron temperature in Earth's "dusty" ionosphere can become of the order of 1 eV. The importance of this effect for ionospheric plasmas is discussed. This work was supported by the Russian Foundation for Basic Research, project no. 06-05-64826-а. S.I.P. acknowledges financial support of the Dynasty Foundation.

  14. Measurement of charged jet suppression in Pb-Pb collisions at = 2 .76 TeV

    NASA Astrophysics Data System (ADS)

    Abelev, B.; Adam, J.; Adamová, D.; Aggarwal, M. M.; Rinella, G. Aglieri; Agnello, M.; Agocs, A. G.; Agostinelli, A.; Agrawal, N.; Ahammed, Z.; Ahmad, N.; Masoodi, A. Ahmad; Ahmed, I.; Ahn, S. U.; Ahn, S. A.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altini, V.; Altinpinar, S.; Altsybeev, I.; Prado, C. Alves Garcia; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arbor, N.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bairathi, V.; Bala, R.; Baldisseri, A.; Pedrosa, F. Baltasar Dos Santos; Bán, J.; Baral, R. C.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartke, J.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batyunya, B.; Batzing, P. C.; Baumann, C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bellwied, R.; Belmont-Moreno, E.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Berger, M. E.; Bergognon, A. A. E.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Boehmer, F. V.; Bogdanov, A.; Bøggild, H.; Bogolyubsky, M.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Bornschein, J.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Caffarri, D.; Cai, X.; Caines, H.; Caliva, A.; Villar, E. Calvo; Camerini, P.; Roman, V. Canoa; Carena, F.; Carena, W.; Carminati, F.; Díaz, A. Casanova; Castellanos, J. Castillo; Casula, E. A. R.; Catanescu, V.; Cavicchioli, C.; Sanchez, C. Ceballos; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Barroso, V. Chibante; Chinellato, D. D.; Chochula, P.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Balbastre, G. Conesa; del Valle, Z. Conesa; Connors, M. E.; Contin, G.; Contreras, J. G.; Cormier, T. M.; Morales, Y. Corrales; Cortese, P.; Maldonado, I. Cortés; Cosentino, M. R.; Costa, F.; Crochet, P.; Albino, R. Cruz; Cuautle, E.; Cunqueiro, L.; Dainese, A.; Dang, R.; Danu, A.; Das, D.; Das, I.; Das, K.; Das, S.; Dash, A.; Dash, S.; De, S.; Delagrange, H.; Deloff, A.; Dénes, E.; D'Erasmo, G.; de Barros, G. O. V.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; de Rooij, R.; Corchero, M. A. Diaz; Dietel, T.; Divià, R.; Di Bari, D.; Di Liberto, S.; Di Mauro, A.; Di Nezza, P.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Gimenez, D. Domenicis; Dönigus, B.; Dordic, O.; Dorheim, S.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Majumdar, A. K. Dutta; Elia, D.; Engel, H.; Erazmus, B.; Erdal, H. A.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fehlker, D.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Téllez, A. Fernández; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floratos, E.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Girard, M. Fusco; Gaardhøje, J. J.; Gagliardi, M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Garishvili, I.; Gerhard, J.; Germain, M.; Gheata, A.; Gheata, M.; Ghidini, B.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez, R.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Graczykowski, L. K.; Grajcarek, R.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Guilbaud, M.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Khan, K. H.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hanratty, L. D.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Hayrapetyan, A.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Corral, G. Herrera; Hess, B. A.; Hetland, K. F.; Hicks, B.; Hippolyte, B.; Hladky, J.; Hristov, P.; Huang, M.; Humanic, T. J.; Hutter, D.; Hwang, D. S.; Ianigro, J.-C.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Incani, E.; Innocenti, G. M.; Ionita, C.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Ivanytskyi, O.; Jacholkowski, A.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, S.; Bustamante, R. T. Jimenez; Jones, P. G.; Jung, H.; Jusko, A.; Kalcher, S.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Uysal, A. Karasu; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kebschull, U.; Keidel, R.; Ketzer, B.; Khan, M. Mohisin.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Köhler, M. K.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Konevskikh, A.; Kovalenko, V.; Kowalski, M.; Kox, S.; Meethaleveedu, G. Koyithatta; Kral, J.; Králik, I.; Kramer, F.; Kravčáková, A.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Krus, M.; Kryshen, E.; Krzewicki, M.; Kučera, V.; Kucheriaev, Y.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kushpil, V.; Kweon, M. J.; Kwon, Y.; de Guevara, P. Ladron; Fernandes, C. Lagana; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; La Pointe, S. L.; La Rocca, P.; Lea, R.; Lee, G. R.; Legrand, I.; Lehnert, J.; Lemmon, R. C.; Lenhardt, M.; Lenti, V.; Leogrande, E.; Leoncino, M.; Monzón, I. León; Lévai, P.; Li, S.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Lohner, D.; Loizides, C.; Lopez, X.; Torres, E. López; Lu, X.-G.; Luettig, P.; Lunardon, M.; Luo, J.; Luparello, G.; Luzzi, C.; Gago, A. M.; Jacobs, P. M.; Ma, R.; Maevskaya, A.; Mager, M.; Mahapatra, D. P.; Maire, A.; Malaev, M.; Cervantes, I. Maldonado; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Marín, A.; Markert, C.; Marquard, M.; Martashvili, I.; Martin, N. A.; Martinengo, P.; Martínez, M. I.; García, G. Martínez; Blanco, J. Martin; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Matyja, A.; Mayer, C.; Mazer, J.; Mazumder, R.; Mazzoni, M. A.; Meddi, F.; Menchaca-Rocha, A.; Pérez, J. Mercado; Meres, M.; Miake, Y.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Mischke, A.; Mishra, A. N.; Miskowiec, D.; Mitu, C. M.; Mlynarz, J.; Mohanty, B.; Molnar, L.; Zetina, L. Montaño; Montes, E.; Morando, M.; De Godoy, D. A. Moreira; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Muhuri, S.; Mukherjee, M.; Müller, H.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Nattrass, C.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nicassio, M.; Niculescu, M.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Nilsen, B. S.; Noferini, F.; Nomokonov, P.; Nooren, G.; Nyanin, A.; Nyatha, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Okatan, A.; Olah, L.; Oleniacz, J.; Oliveira Da Silva, A. C.; Onderwaater, J.; Oppedisano, C.; Velasquez, A. Ortiz; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Pachmayer, Y.; Pachr, M.; Pagano, P.; Paić, G.; Painke, F.; Pajares, C.; Pal, S. K.; Palmeri, A.; Pant, D.; Papikyan, V.; Pappalardo, G. S.; Park, W. J.; Passfeld, A.; Patalakha, D. I.; Paticchio, V.; Paul, B.; Pawlak, T.; Peitzmann, T.; Da Costa, H. Pereira; De Oliveira Filho, E. Pereira; Peresunko, D.; Lara, C. E. Pérez; Peryt, W.; Pesci, A.; Pestov, Y.; Petráček, V.; Petran, M.; Petris, M.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Ploskon, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Pohjoisaho, E. H. O.; Polichtchouk, B.; Poljak, N.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, V.; Potukuchi, B.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Rauf, A. W.; Razazi, V.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reicher, M.; Reidt, F.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Rivetti, A.; Rocco, E.; Cahuantzi, M. Rodríguez; Manso, A. Rodriguez; Røed, K.; Rogochaya, E.; Rohni, S.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossegger, S.; Rossi, A.; Roy, A.; Roy, C.; Roy, P.; Montero, A. J. Rubio; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, R.; Sahu, P. K.; Saini, J.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Castro, X. Sanchez; Rodríguez, F. J. Sánchez; Šándor, L.; Sandoval, A.; Sano, M.; Santagati, G.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, P. A.; Scott, R.; Segato, G.; Seger, J. E.; Selyuzhenkov, I.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabetai, A.; Shabratova, G.; Shahoyan, R.; Shangaraev, A.; Sharma, N.; Sharma, S.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Skjerdal, K.; Smakal, R.; Smirnov, N.; Snellings, R. J. M.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Soramel, F.; Sorensen, S.; Spacek, M.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Stolpovskiy, M.; Strmen, P.; Suaide, A. A. P.; Vasquez, M. A. Subieta; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Susa, T.; Symons, T. J. M.; de Toledo, A. Szanto; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Takahashi, J.; Tangaro, M. A.; Takaki, J. D. Tapia; Peloni, A. Tarantola; Martinez, A. Tarazona; Tauro, A.; Muñoz, G. Tejeda; Telesca, A.; Terrevoli, C.; Ter Minasyan, A.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Torii, H.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ulery, J.; Ullaland, K.; Ulrich, J.; Uras, A.; Usai, G. L.; Vajzer, M.; Vala, M.; Palomo, L. Valencia; Vallero, S.; Vyvre, P. Vande; Vannucci, L.; Van Hoorne, J. W.; van Leeuwen, M.; Vargas, A.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vechernin, V.; Veldhoen, M.; Venaruzzo, M.; Vercellin, E.; Limón, S. Vergara; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Baillie, O. Villalobos; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wagner, V.; Wang, M.; Wang, Y.; Watanabe, D.; Weber, M.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Xiang, C.; Yaldo, C. G.; Yamaguchi, Y.; Yang, H.; Yang, P.; Yang, S.; Yano, S.; Yasnopolskiy, S.; Yi, J.; Yin, Z.; Yoo, I.-K.; Yushmanov, I.; Zaccolo, V.; Zach, C.; Zaman, A.; Zampolli, C.; Zaporozhets, S.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, F.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhou, D.; Zhou, F.; Zhou, Y.; Zhu, H.; Zhu, J.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zoccarato, Y.; Zynovyev, M.; Zyzak, M.

    2014-03-01

    A measurement of the transverse momentum spectra of jets in Pb-Pb collisions at = 2 .76TeV is reported. Jets are reconstructed from charged particles using the anti- k T jet algorithm with jet resolution parameters R of 0 .2 and 0 .3 in pseudo-rapidity | η| < 0 .5. The transverse momentum p T of charged particles is measured down to 0 .15 GeV/ c which gives access to the low p T fragments of the jet. Jets found in heavy-ion collisions are corrected event-by-event for average background density and on an inclusive basis (via unfolding) for residual background fluctuations and detector effects. A strong suppression of jet production in central events with respect to peripheral events is observed. The suppression is found to be similar to the suppression of charged hadrons, which suggests that substantial energy is radiated at angles larger than the jet resolution parameter R = 0 .3 considered in the analysis. The fragmentation bias introduced by selecting jets with a high p T leading particle, which rejects jets with a soft fragmentation pattern, has a similar effect on the jet yield for central and peripheral events. The ratio of jet spectra with R = 0 .2 and R = 0 .3 is found to be similar in Pb-Pb and simulated PYTHIA pp events, indicating no strong broadening of the radial jet structure in the reconstructed jets with R < 0 .3. [Figure not available: see fulltext.

  15. Theoretical investigation of collisions between highly-charged N5+ and N6+ with He

    NASA Astrophysics Data System (ADS)

    Wu, Y.; Liu, L.; Yan, L. L.; Zhang, C. L.; Wang, J. G.; Stancil, P. C.; Liebermann, H. P.; Buenker, R. J.

    2013-05-01

    For X-rays and/or EUV photons observed in cometary and planetary atmospheres and from the heliosphere, a primary production mechanism is charge exchange (CX) due to the collision between highly charged solar wind ions and ambient neutral species. In the present work, CX due to N6+ (1 s2 S)-He and N5+ (1s21 S)-He collisions has been investigated using the quantum-mechanical molecular-orbital close-coupling (QMOCC) and the atomic-orbital close-coupling (AOCC) methods. For the high charged N5+ and N6+, the electrons of He will be captured to very highly excited or doubly-excited states, which may lie in continua of various quasi-molecular channels. The multi-reference single- and double-excitation configuration interaction approach (MRDCI) has been applied and a large number of important configurations have been selected to compute the adiabatic potential and nonadiabatic couplings. Total and state-selective cross sections are calculated for energies between 10 meV/u and 10 keV/u and the autoionization process has been treated quasi-classically. The QMOCC results are compared to available experimental and theoretical data as well AOCC calculations. Partially supported by the National Basic Research Program of China (973 Program) (2013CB922200), the National Science Foundation of China under Grant Nos. 1097007, 11025417, and NASA grant NNX09AV46G.

  16. Imaging state-to-state reactive scattering in the Ar+ + H2 charge transfer reaction

    NASA Astrophysics Data System (ADS)

    Michaelsen, Tim; Bastian, Björn; Carrascosa, Eduardo; Meyer, Jennifer; Parker, David H.; Wester, Roland

    2017-07-01

    The charge transfer reaction of Ar+ with H2 and D2 has been investigated in an experiment combining crossed beams with three-dimensional velocity map imaging. Angle-differential cross sections for two collision energies have been obtained for both neutral species. We find that the product ions are highly internally excited. In the reaction with H2, the spin-orbit excited Ar+ state's coupling to the "resonant" vibrationally excited product H2+ (υ = 2) dominates for both investigated energies, in line with previous investigations. The observed angular distributions, however, show significantly less back-scattering than was found previously. Furthermore, we discovered that the product ions are highly rotationally excited. In the case of Ar+ reacting with D2, the energetically closest lying vibrational levels are not strictly preferred and higher-lying vibrational levels are also populated. For both species, the backward-scattered products show higher internal excitation.

  17. Polaron assisted charge transfer in model biological systems

    NASA Astrophysics Data System (ADS)

    Li, Guangqi; Movaghar, Bijan

    2016-11-01

    We use a tight binding Hamiltonian to simulate the electron transfer from an initial charge-separating exciton to a final target state through a two-arm transfer model. The structure is copied from the model frequently used to describe electron harvesting in photosynthesis (photosystems I). We use this network to provide proof of principle for dynamics, in quantum system/bath networks, especially those involving interference pathways, and use these results to make predictions on artificially realizable systems. Each site is coupled to the phonon bath via several electron-phonon couplings. The assumed large energy gaps and weak tunneling integrals linking the last 3 sites give rise to"Stark Wannier like" quantum localization; electron transfer to the target cluster becomes impossible without bath coupling. As a result of the electron-phonon coupling, local electronic energies relax when the site is occupied, and transient polaronic states are formed as photo-generated electrons traverse the system. For a symmetric constructively interfering two pathway network, the population is shared equally between two sets of equivalent sites and therefore the polaron energy shift is smaller. The smaller energy shift however makes the tunnel transfer to the last site slower or blocks it altogether. Slight disorder (or thermal noise) can break the symmetry, permitting essentially a "one path", and correspondingly more efficient transfer.

  18. Collision induced dissociation of doubly-charged ions: Coulomb explosion vs. neutral loss in [Ca(urea)]{sup 2+} gas phase unimolecular reactivity via chemical dynamics simulations

    SciTech Connect

    Spezia, Riccardo; Salpin, Jean-Yves; Cimas, Alvaro; Gaigeot, Marie-Pierre; Song, Kihyung; Hase, William L.

    2012-07-01

    In this paper we report different theoretical approaches to study the gas-phase unimolecular dissociation of the doubly-charged cation [Ca(urea)]{sup 2+}, in order to rationalize recent experimental findings. Quantum mechanical plus molecular mechanical (QM/MM) direct chemical dynamics simulations were used to investigate collision induced dissociation (CID) and rotational-vibrational energy transfer for Ar{sup +} [Ca(urea)]{sup 2+} collisions. For the picosecond time-domain of the simulations, both neutral loss and Coulomb explosion reactions were found and the differences in their mechanisms elucidated. The loss of neutral urea subsequent to collision with Ar occurs via a shattering mechanism, while the formation of two singly-charged cations follows statistical (or almost statistical) dynamics. Vibrational-rotational energy transfer efficiencies obtained for trajectories that do not dissociate during the trajectory integration were used in conjunction with RRKM rate constants to approximate dissociation pathways assuming complete intramolecular vibrational energy redistribution (IVR) and statistical dynamics. This statistical limit predicts, as expected, that at long time the most stable species on the potential energy surface (PES) dominate. These results, coupled with experimental CID from which both neutral loss and Coulomb explosion products were obtained, show that the gas phase dissociation of this ion occurs by multiple mechanisms leading to different products and that reactivity on the complicated PES is dynamically complex. (authors)

  19. Highly Twisted Triarylamines for Photoinduced Intramoleculer ChargeTransfer

    SciTech Connect

    Chudomel, J. M.; Yang, B. Q.; Barnes, M. D.; Achermann, M.; Mague, J. T.; Lahti, P. M.

    2011-08-04

    9-(N,N-Dianisylamino)anthracene (9DAAA), 9-(N,N-dianisylamino)dinaphth([1,2-a:2'-1'-j]-anthracene (9DAAH), and 9,10-bis(N,N-dianisylamino)anthracene (910BAA) were synthesized as highly twisted triarylamines with potential for photoexcited internal charge transfer. Crystallography of 9DAAA shows its dianisylamino group to be twisted nearly perpendicular to its anthracene unit, similar to a report for 910BAA. The solution fluorescence spectra show strong bathochromic shifts for each of the three molecular systems with strongly decreased quantum efficiency in higher polarity solvents. Solution-phase (ensemble) time-resolved photoluminescence measurements show up to 4-fold decreases in fluorescence lifetime in acetonitrile compared to hexane. The combined results are consistent with photoinduced, transient intramolecular charge-transfer from the bis-anisylamine unit to the polycyclic aromatic unit. Computational modeling is in accord with intramolecular transfer of electron density from the bis-anisylamino unit to the anthracene, based on in comparisons of HOMO and LUMO.

  20. Charge transfer during low energy metal/semiconductor ion-surface interactions

    NASA Astrophysics Data System (ADS)

    Chen, Xiaojian

    Ion-surface charge exchange is a central process in many surface analysis techniques and technical processes. Previous ion scattering studies have extensively investigated the interactions between alkali/noble gas ions and surfaces. Investigations of the interactions between metal/semiconductor ions and metal surfaces have seldom been reported, although they are of central importance in understanding processes involving the removal material from metal/semiconductor surfaces. This dissertation uses low energy ion scattering and direct recoil to reveal charge transfer mechanisms between metal/semiconductor atomic particles and clean and adsorb ate-covered Al and Si surfaces. All involved experiments were performed in ultra-high vacuum. Charge transfer between an Al atom and an Al surface is studied by producing energetic recoiled Al from a Al(100) surface via Xe+ bombardment. The measured neutral fractions of the recoils show that resonant charge transfer (RCT) is a key mechanism. The ion formation of recoiled and sputtered atoms can be both described by RCT. The characteristic difference between recoiled and sputtered atoms is interpreted as due to different surface conditions at the time of ion emission. 1˜5 keV Si+ ions were incident on atomically clean Al(100) surface. All scattered Si was neutralized, while Al ions were found in multi-charged states. In contrast to the traditional sputtering studies, there is an abnormally high yield of Al2+ and Al3+. The multiply charged ions are attributed to the charge promotion of Al 2p level during the electronically nearly-symmetric Si-Al collision, and subsequent shake-off processes. This mechanism is supported by the energy dependence of Al ions as well as ion induced Auger electrons. Si+ ions were scattered from submonolayers of Cs deposited onto Al(100). Because of the high ionization energy of Si, resonant charge transfer would be expected to completely neutralize the scattered projectiles. In contrast, a

  1. Enhancement of IR and VCD intensities due to charge transfer.

    PubMed

    Nicu, Valentin Paul; Autschbach, Jochen; Baerends, Evert Jan

    2009-03-14

    Donor-acceptor interactions such as the one between the Cl(-) base and the N-H sigma* acceptor orbitals encountered in the complexation of Cl(-) counterions to the [Co(en)(3)](3+) transition metal complex, have been shown to cause huge enhancement (between 1 and 2 orders of magnitude) of the VCD intensities of N-H stretching modes. This effect has been fully analyzed, and could be attributed to increased charge flow from the Cl(-) donors when the N-H bonds become stretched. The transfer of charge counteracts the movement of negative electronic charge that happens along with the motion of the H nuclei, effectively reversing the electronic part of the electric dipole transition moment (EDTM) in the direction of the charge flow (z, say), and of the magnetic transition dipole moment (MDTM) in the perpendicular direction. The consequences for the IR and VCD intensity follow: IR intensity is strongly increased if the EDTM is polarized in the z direction, e.g. in A(2) modes, but not so much if it is polarized in the xy plane (E modes), the VCD is strongly enhanced if the EDTM and MTDM are polarized in the xy plane (in E modes), but less so when they are polarized in the z direction (in A(2) modes). The explanation holds generally for complexation phenomena of this sort, including the donor-acceptor part of hydrogen bonding interactions, e.g. with solvent molecules.

  2. Dielectric Properties of Organic Charge-Transfer Salts

    NASA Astrophysics Data System (ADS)

    Fischer, J. K. H.; Lunkenheimer, P.; Krohns, S.; Manna, R. S.; Hartmann, B.; Schubert, H.; Lang, M.; Müller, J.; Schlueter, J. A.; Mézière, C.; Batail, P.; Loidl, A.

    The BEDT-TTF-based charge-transfer salts have attracted considerable attention due to their often intriguing dielectric properties. An example is κ-(BEDT-TTF)2Cu[N(CN)2]Cl. It was recently found to exhibit multiferroicity, for which a new electric-dipole driven mechanism was proposed. The polar moment in this system was suggested to arise from the dimerization of the BEDT-TTF molecules, combined with charge order. Another interesting recent example is α-(BEDT-TTF)2I3, which shows the signature of relaxor-ferroelectric behavior. Here, we will present an overview of the dielectric properties of the above systems and provide new results on κ-(BEDT-TTF)2Hg(SCN)2Cl, which also seems to show relaxor-ferroelectric behavior in its charge-ordered state. In addition, we present measurements of δ-(EDT-TTF-CONMe2)2Br. This compound lacks dimerization, but exhibits charge order already at room temperature.

  3. Tunable charge transfer properties in metal-phthalocyanine heterojunctions

    NASA Astrophysics Data System (ADS)

    Siles, P. F.; Hahn, T.; Salvan, G.; Knupfer, M.; Zhu, F.; Zahn, D. R. T.; Schmidt, O. G.

    2016-04-01

    Organic materials such as phthalocyanine-based systems present a great potential for organic device applications due to the possibility of integrating films of different organic materials to create organic heterostructures which combine the electrical capabilities of each material. This opens the possibility to precisely engineer and tune new electrical properties. In particular, similar transition metal phthalocyanines demonstrate hybridization and charge transfer properties which could lead to interesting physical phenomena. Although, when considering device dimensions, a better understanding and control of the tuning of the transport properties still remain in the focus of research. Here, by employing conductive atomic force microscopy techniques, we provide an insight about the nanoscale electrical properties and transport mechanisms of MnPc and fluorinated phthalocyanines such as F16CuPc and F16CoPc. We report a transition from typical diode-like transport mechanisms for pure MnPc thin films to space-charge-limited current transport regime (SCLC) for Pc-based heterostructures. The controlled addition of fluorinated phthalocyanine also provides highly uniform and symmetric-polarized transport characteristics with conductance enhancements up to two orders of magnitude depending on the polarization. We present a method to spatially map the mobility of the MnPc/F16CuPc structures with a nanoscale resolution and provide theoretical calculations to support our experimental findings. This well-controlled nanoscale tuning of the electrical properties for metal transition phthalocyanine junctions stands as key step for future phthalocyanine-based electronic devices, where the low dimension charge transfer, mediated by transition metal atoms could be intrinsically linked to a transfer of magnetic moment or spin.Organic materials such as phthalocyanine-based systems present a great potential for organic device applications due to the possibility of integrating films of

  4. Coulomb excitation of highly charged projectile ions in relativistic collisions with diatomic molecules

    SciTech Connect

    Artemyev, A. N.; McConnell, S. R.; Surzhykov, A.; Najjari, B.; Voitkiv, A. B.

    2011-10-15

    We investigate the Coulomb excitation of highly charged ions colliding with diatomic molecules. In this process, the coherent interaction between the projectile electron and two molecular centers may cause clear interference patterns in the (collision) energy dependencies of the total cross sections and alignment parameters. We discuss such a Young-type interference for the particular case of the K{yields}L excitation of hydrogen- and helium-like projectile ions. Calculations, performed for the scattering of these ions on nitrogen molecules, indicate that the interference effects are extremely sensitive to the collisional geometry and are pronounced only if the molecular axis is aligned almost parallel to the incident beam trajectory.

  5. Polarization and charge transfer in the hydration of chloride ions

    SciTech Connect

    Zhao Zhen; Rogers, David M.; Beck, Thomas L.

    2010-01-07

    A theoretical study of the structural and electronic properties of the chloride ion and water molecules in the first hydration shell is presented. The calculations are performed on an ensemble of configurations obtained from molecular dynamics simulations of a single chloride ion in bulk water. The simulations utilize the polarizable AMOEBA force field for trajectory generation and MP2-level calculations are performed to examine the electronic structure properties of the ions and surrounding waters in the external field of more distant waters. The ChelpG method is employed to explore the effective charges and dipoles on the chloride ions and first-shell waters. The quantum theory of atoms in molecules (QTAIM) is further utilized to examine charge transfer from the anion to surrounding water molecules. The clusters extracted from the AMOEBA simulations exhibit high probabilities of anisotropic solvation for chloride ions in bulk water. From the QTAIM analysis, 0.2 elementary charges are transferred from the ion to the first-shell water molecules. The default AMOEBA model overestimates the average dipole moment magnitude of the ion compared to the quantum mechanical value. The average magnitude of the dipole moment of the water molecules in the first shell treated at the MP2-level, with the more distant waters handled with an AMOEBA effective charge model, is 2.67 D. This value is close to the AMOEBA result for first-shell waters (2.72 D) and is slightly reduced from the bulk AMOEBA value (2.78 D). The magnitude of the dipole moment of the water molecules in the first solvation shell is most strongly affected by the local water-water interactions and hydrogen bonds with the second solvation shell, rather than by interactions with the ion.

  6. Tunable charge transfer properties in metal-phthalocyanine heterojunctions.

    PubMed

    Siles, P F; Hahn, T; Salvan, G; Knupfer, M; Zhu, F; Zahn, D R T; Schmidt, O G

    2016-04-28

    Organic materials such as phthalocyanine-based systems present a great potential for organic device applications due to the possibility of integrating films of different organic materials to create organic heterostructures which combine the electrical capabilities of each material. This opens the possibility to precisely engineer and tune new electrical properties. In particular, similar transition metal phthalocyanines demonstrate hybridization and charge transfer properties which could lead to interesting physical phenomena. Although, when considering device dimensions, a better understanding and control of the tuning of the transport properties still remain in the focus of research. Here, by employing conductive atomic force microscopy techniques, we provide an insight about the nanoscale electrical properties and transport mechanisms of MnPc and fluorinated phthalocyanines such as F16CuPc and F16CoPc. We report a transition from typical diode-like transport mechanisms for pure MnPc thin films to space-charge-limited current transport regime (SCLC) for Pc-based heterostructures. The controlled addition of fluorinated phthalocyanine also provides highly uniform and symmetric-polarized transport characteristics with conductance enhancements up to two orders of magnitude depending on the polarization. We present a method to spatially map the mobility of the MnPc/F16CuPc structures with a nanoscale resolution and provide theoretical calculations to support our experimental findings. This well-controlled nanoscale tuning of the electrical properties for metal transition phthalocyanine junctions stands as key step for future phthalocyanine-based electronic devices, where the low dimension charge transfer, mediated by transition metal atoms could be intrinsically linked to a transfer of magnetic moment or spin.

  7. H- and He-like Charge-Exchange Induced X-ray Emission due to Ion Collisions with H, He, and H2

    NASA Astrophysics Data System (ADS)

    Cumbee, Renata; Mullen, Patrick; Miller, Ansley; Lyons, David; Shelton, Robin L.; Schultz, David R.; Stancil, Phillip C.; Leutenegger, Maurice A.

    2017-08-01

    When a hot plasma collides with a cold neutral gas interactions occur between the microscopic constituents including charge exchange (CX). CX is a process in which an electron can be transferred from a neutral atom or molecule into an excited energy level of an ion. Following this transfer, the excited electron relaxes to lower energy levels, emitting X-rays. This process has been established as a primary source of X-ray emission within our solar system, such as when the solar wind interacts with cometary and planetary atmospheres, and outside of our solar system, such as in the hot outflows of starburst galaxies.Since the CX X-ray emission spectrum varies greatly with collision velocity, it is critical that realistic CX data are included in X-ray spectral models of astrophysical environments in which CX might be significant in order to correctly estimate the ion abundance and plasma velocities. Here, line ratios and spectra are computed using theoretical CX cross sections obtained with the multi-channel Landau-Zener, atomic-orbital close-coupling, and classical-trajectory Monte Carlo methods for a variety of collision energies relevant to various astrophysical environments. Collisions of bare and H-like C, N, O, Ne, Mg, Al, Si, P, S, and Cl ions are shown with H, He, and H2 as the neutral collision targets. An X-ray model using line ratios for C-Si ions is then performed within XSPEC for a region of the Cygnus Loop supernova remnant for 8 collision energies in order to highlight the variation in CX spectral models with collision energy.R. Cumbee’s research was partially supported by an appointment to the NASA Postdoctoral Program at NASA GSFC, administered by Universities Space Research Association under contract with NASA. Work at UGA was partially supported by NASA grants NNX09AC46G and NNG09WF24I.

  8. Negative thermal expansion induced by intermetallic charge transfer.

    PubMed

    Azuma, Masaki; Oka, Kengo; Nabetani, Koichiro

    2015-06-01

    Suppression of thermal expansion is of great importance for industry. Negative thermal expansion (NTE) materials which shrink on heating and expand on cooling are therefore attracting keen attention. Here we provide a brief overview of NTE induced by intermetallic charge transfer in A-site ordered double perovskites SaCu3Fe4O12 and LaCu3Fe4-x Mn x O12, as well as in Bi or Ni substituted BiNiO3. The last compound shows a colossal dilatometric linear thermal expansion coefficient exceeding -70 × 10(-6) K(-1) near room temperature, in the temperature range which can be controlled by substitution.

  9. Intramolecular charge transfer in donor-acceptor molecules

    SciTech Connect

    Slama-Schwok, A.; Blanchard-Desce, M.; Lehn, J.M. )

    1990-05-17

    The photophysical properties of donor-acceptor molecules, push-pull polyenes and carotenoids, have been studied by absorption and fluorescence spectroscopy. The compounds bear various acceptor and donor groups, linked together by chains of different length and structure. The position of the absorption and fluorescence maxima and their variation in solvents of increasing polarity are in agreement with long-distance intramolecular charge-transfer processes, the linker acting as a molecular wire. The effects of the linker length and structure and of the nature of acceptor and donor are presented.

  10. Modulating unimolecular charge transfer by exciting bridge vibrations.

    PubMed

    Lin, Zhiwei; Lawrence, Candace M; Xiao, Dequan; Kireev, Victor V; Skourtis, Spiros S; Sessler, Jonathan L; Beratan, David N; Rubtsov, Igor V

    2009-12-23

    Ultrafast UV-vibrational spectroscopy was used to investigate how vibrational excitation of the bridge changes photoinduced electron transfer between donor (dimethylaniline) and acceptor (anthracene) moieties bridged by a guanosine-cytidine base pair (GC). The charge-separated (CS) state yield is found to be lowered by high-frequency bridge mode excitation. The effect is linked to a dynamic modulation of the donor-acceptor coupling interaction by weakening of H-bonding and/or by disruption of the bridging base-pair planarity.

  11. Minimal model for charge transfer excitons at the dielectric interface

    NASA Astrophysics Data System (ADS)

    Ono, Shota; Ohno, Kaoru

    2016-03-01

    A theoretical description of the charge transfer (CT) exciton across the donor-acceptor interface without the use of a completely localized hole (or electron) is a challenge in the field of organic solar cells. We calculate the total wave function of the CT exciton by solving an effective two-particle Schrödinger equation for the inhomogeneous dielectric interface. We formulate the magnitude of the CT and construct a minimal model of the CT exciton under the breakdown of inversion symmetry. We demonstrate that both a light hole mass and a hole localization along the normal to the dielectric interface are crucial to yield the CT exciton.

  12. Diamagnetism and charge transfer in bromine graphite intercalation compounds

    NASA Astrophysics Data System (ADS)

    Marchand, A.

    1985-04-01

    The relationship of the magnetic susceptibility anisotropy and the charge-transfer parameter f in graphite-Br intercalation compounds is investigated theoretically. It is argued that the good fit to experimental data obtained by Tsang and Resing (1984) in calculations with f = 0.3 is based on an error in plotting the data of Hennig and McClelland (1955), indicating that the true value of f for these compounds must be significantly smaller. A corrected plot is shown, and the treatment of several other experimental details by Tsang and Resing is discussed.

  13. Photoinduced charge-transfer materials for nonlinear optical applications

    DOEpatents

    McBranch, Duncan W.

    2006-10-24

    A method using polyelectrolyte self-assembly for preparing multi-layered organic molecular materials having individual layers which exhibit ultrafast electron and/or energy transfer in a controlled direction occurring over the entire structure. Using a high molecular weight, water-soluble, anionic form of poly-phenylene vinylene, self-assembled films can be formed which show high photoluminescence quantum efficiency (QE). The highest emission QE is achieved using poly(propylene-imine) (PPI) dendrimers as cationic binders. Self-quenching of the luminescence is observed as the solid polymer film thickness is increased and can be reversed by inserting additional spacer layers of transparent polyelectrolytes between each active conjugated layer, such that the QE grows with thickness. A red shift of the luminescence is also observed as additional PPV layers are added. This effect persists as self-quenching is eliminated. Charge transfer superlattices can be formed by additionally incorporating C.sub.60 acceptor layers.

  14. Characterization and control of charge transfer in a tunnel junction

    NASA Astrophysics Data System (ADS)

    Gabelli, Julien; Thibault, Karl; Gasse, Gabriel; Lupien, Christian; Reulet, Bertrand

    2017-03-01

    Charge transfer in a tunnel junction is studied under dc and ac voltage bias using quantum shot noise. Under dc voltage bias $V$, spectral density of noise measured within a very large bandwidth enables to deduce the current-current correlator in the time domain by Fourier transform. This correlator exhibits regular oscillations proving that electrons try to cross the junction regularly, every $h/eV$. Using harmonic and bi-harmonic ac voltage bias, we then show that quasiparticles excitations can be transferred through the junction in a controlled way. By measuring the reduction of the excess shot noise, we are able to determine the number of electron-hole pairs surrounding the injected electrons and demonstrate that bi-harmonic voltage pulses realize an on-demand electron source with a very small admixture of electron-hole pairs.

  15. Nuclear fragmentation energy and momentum transfer distributions in relativistic heavy-ion collisions

    NASA Technical Reports Server (NTRS)

    Khandelwal, Govind S.; Khan, Ferdous

    1989-01-01

    An optical model description of energy and momentum transfer in relativistic heavy-ion collisions, based upon composite particle multiple scattering theory, is presented. Transverse and longitudinal momentum transfers to the projectile are shown to arise from the real and absorptive part of the optical potential, respectively. Comparisons of fragment momentum distribution observables with experiments are made and trends outlined based on our knowledge of the underlying nucleon-nucleon interaction. Corrections to the above calculations are discussed. Finally, use of the model as a tool for estimating collision impact parameters is indicated.

  16. Photoinduced Charge and Energy Transfer Processes in Molecular Aggregates

    SciTech Connect

    John F. Endicott

    2009-10-20

    This project involved the experimental probing of the electronic excited states generated by photoinduced (center-to-center) electron and energy transfer processes in several classes of transition metal donor/acceptor (D/A) complexes. Some of the general properties inferred from these studies should be useful in the design of new systems for energy conversion applications. Pursuit of the project goals has involved the determination of electron transfer efficiencies and the detailed study of variations in the electronic spectra of D/A complexes. This has resulted in the study of some very fundamental issues of photoinduced charge transfer and the identification of some of the constraints on its efficiency. The experimental studies of the competition between the degradative non-radiative unimolecular relaxation of transition metal excited states and their transfer of charge from these excited states to external acceptors have involved a range of techniques such as transient decay kinetics, photoacoustic calorimetry and transient or stationary state spectroscopy. The substrates synthesized for these studies were selected to provide model systems, or series of model systems to probe the validity of models of electronic excited states and their reactivity. The work during the last few years has focused largely, but not exclusively, on the use of emission spectral band shapes to probe the properties of charge transfer (CT) excited states. Bandshape variations are one of the very few approaches for systematically probing electronic excited states and good band shape resolution is necessary in order to gain information about the structural variations that correlate with excited state reactivity. Differences in molecular structure correlate with differences in chemical reactivity, and the variations in emission bandshapes are well known to relate to variations in the molecular structural differences between the excited and ground electronic states. However, it is has been

  17. Measurement of the W boson production charge asymmetry in p$\\bar{p}$ collisions

    SciTech Connect

    Han, Bo-Young

    2008-01-01

    We present a measurement of the W boson production charge asymmetry using the W → ev decay channel. We use data collected the Collider Detector at Fermilab (CDF) from p$\\bar{p}$ collisions at √s = 1.96 TeV. The data were collected up to February 2006 (Run II) and represent an integrated luminosity of 1 fb-1. The experimental measurement of W production charge asymmetry is compared to higher order QCD predictions generated using MRST2006 and CTEQ6 parton distribution functions (PDF). The asymmetry provides new input on the momentum fraction dependence of the u and d quark parton distribution functions (PDF) within the proton over the fraction of proton's momentum range from 0.002 < x < 0.8 corresponding to -3.0 < yW < 3.0 at Q2 ~ MW2.

  18. Tailoring of ion species composition in complex plasmas with charge exchange collisions

    NASA Astrophysics Data System (ADS)

    Ostrikov, K.

    2005-06-01

    A generic approach towards tailoring of ion species composition in reactive plasmas used for nanofabrication of various functional nanofilms and nanoassemblies, based on a simplified model of a parallel-plate rf discharge, is proposed. The model includes an idealized reactive plasma containing two neutral and two ionic species interacting via charge exchange collisions in the presence of a microdispersed solid component. It is shown that the number densities of the desired ionic species can be efficiently managed by adjusting the dilution of the working gas in a buffer gas, rates of electron impact ionization, losses of plasma species on the discharge walls, and surfaces of fine particles, charge exchange rates, and efficiency of three-body recombination processes in the plasma bulk. The results are relevant to the plasma-aided nanomanufacturing of ordered patterns of carbon nanotip and nanopyramid microemitters.

  19. Deeply virtual Compton scattering and its beam charge asymmetry in e±p collisions at HERA

    NASA Astrophysics Data System (ADS)

    H1 Collaboration; Aaron, F. D.; Martin, M. Aldaya; Alexa, C.; Alimujiang, K.; Andreev, V.; Antunovic, B.; Backovic, S.; Baghdasaryan, A.; Barrelet, E.; Bartel, W.; Begzsuren, K.; Belousov, A.; Bizot, J. C.; Boudry, V.; Bozovic-Jelisavcic, I.; Bracinik, J.; Brandt, G.; Brinkmann, M.; Brisson, V.; Bruncko, D.; Bunyatyan, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A. J.; Cantun Avila, K. B.; Cerny, K.; Cerny, V.; Chekelian, V.; Cholewa, A.; Contreras, J. G.; Coughlan, J. A.; Cozzika, G.; Cvach, J.; Dainton, J. B.; Daum, K.; Deák, M.; de Boer, Y.; Delcourt, B.; Del Degan, M.; Delvax, J.; de Wolf, E. A.; Diaconu, C.; Dodonov, V.; Dossanov, A.; Dubak, A.; Eckerlin, G.; Efremenko, V.; Egli, S.; Eliseev, A.; Elsen, E.; Falkiewicz, A.; Favart, L.; Fedotov, A.; Felst, R.; Feltesse, J.; Ferencei, J.; Fischer, D.-J.; Fleischer, M.; Fomenko, A.; Gabathuler, E.; Gayler, J.; Ghazaryan, S.; Glazov, A.; Glushkov, I.; Goerlich, L.; Gogitidze, N.; Gouzevitch, M.; Grab, C.; Greenshaw, T.; Grell, B. R.; Grindhammer, G.; Habib, S.; Haidt, D.; Helebrant, C.; Henderson, R. C. W.; Hennekemper, E.; Henschel, H.; Herbst, M.; Herrera, G.; Hildebrandt, M.; Hiller, K. H.; Hoffmann, D.; Horisberger, R.; Hreus, T.; Jacquet, M.; Janssen, M. E.; Janssen, X.; Jönsson, L.; Jung, A. W.; Jung, H.; Kapichine, M.; Katzy, J.; Kenyon, I. R.; Kiesling, C.; Klein, M.; Kleinwort, C.; Kluge, T.; Knutsson, A.; Kogler, R.; Kostka, P.; Kraemer, M.; Krastev, K.; Kretzschmar, J.; Kropivnitskaya, A.; Krüger, K.; Kutak, K.; Landon, M. P. J.; Lange, W.; Laštovička-Medin, G.; Laycock, P.; Lebedev, A.; Leibenguth, G.; Lendermann, V.; Levonian, S.; Li, G.; Lipka, K.; Liptaj, A.; List, B.; List, J.; Loktionova, N.; Lopez-Fernandez, R.; Lubimov, V.; Makankine, A.; Malinovski, E.; Marage, P.; Marti, Ll.; Martyn, H.-U.; Maxfield, S. J.; Mehta, A.; Meyer, A. B.; Meyer, H.; Meyer, H.; Meyer, J.; Michels, V.; Mikocki, S.; Milcewicz-Mika, I.; Moreau, F.; Morozov, A.; Morris, J. V.; Mozer, M. U.; Mudrinic, M.; Müller, K.; Murín, P.; Naumann, Th.; Newman, P. R.; Niebuhr, C.; Nikiforov, A.; Nikitin, D.; Nowak, G.; Nowak, K.; Nozicka, M.; Olivier, B.; Olsson, J. E.; Osman, S.; Ozerov, D.; Palichik, V.; Panagoulias, I.; Pandurovic, M.; Papadopoulou, Th.; Pascaud, C.; Patel, G. D.; Pejchal, O.; Perez, E.; Petrukhin, A.; Picuric, I.; Piec, S.; Pitzl, D.; Plačakytė, R.; Pokorny, B.; Polifka, R.; Povh, B.; Radescu, V.; Rahmat, A. J.; Raicevic, N.; Raspiareza, A.; Ravdandorj, T.; Reimer, P.; Rizvi, E.; Robmann, P.; Roland, B.; Roosen, R.; Rostovtsev, A.; Rotaru, M.; Ruiz Tabasco, J. E.; Rurikova, Z.; Rusakov, S.; Šálek, D.; Sankey, D. P. C.; Sauter, M.; Sauvan, E.; Schmitt, S.; Schoeffel, L.; Schöning, A.; Schultz-Coulon, H.-C.; Sefkow, F.; Shaw-West, R. N.; Shtarkov, L. N.; Shushkevich, S.; Sloan, T.; Smiljanic, I.; Soloviev, Y.; Sopicki, P.; South, D.; Spaskov, V.; Specka, A.; Staykova, Z.; Steder, M.; Stella, B.; Stoicea, G.; Straumann, U.; Sunar, D.; Sykora, T.; Tchoulakov, V.; Thompson, G.; Thompson, P. D.; Toll, T.; Tomasz, F.; Tran, T. H.; Traynor, D.; Trinh, T. N.; Truöl, P.; Tsakov, I.; Tseepeldorj, B.; Turnau, J.; Urban, K.; Valkárová, A.; Vallée, C.; van Mechelen, P.; Vargas Trevino, A.; Vazdik, Y.; Vinokurova, S.; Volchinski, V.; von den Driesch, M.; Wegener, D.; Wissing, Ch.; Wünsch, E.; Žáček, J.; Zálešák, J.; Zhang, Z.; Zhokin, A.; Zimmermann, T.; Zohrabyan, H.; Zomer, F.; Zus, R.

    2009-11-01

    A measurement of elastic deeply virtual Compton scattering γ∗p→γp using e+p and e-p collision data recorded with the H1 detector at HERA is presented. The analysed data sample corresponds to an integrated luminosity of 306 pb-1, almost equally shared between both beam charges. The cross section is measured as a function of the virtuality Q2 of the exchanged photon and the centre-of-mass energy W of the γ∗p system in the kinematic domain 6.5transfer at the proton vertex. The cross section is determined differentially in t for different Q2 and W values and exponential t-slope parameters are derived. Using e+p and e-p data samples, a beam charge asymmetry is extracted for the first time in the low Bjorken x kinematic domain. The observed asymmetry is attributed to the interference between Bethe-Heitler and deeply virtual Compton scattering processes. Experimental results are discussed in the context of two different models, one based on generalised parton distributions and one based on the dipole approach.

  20. Production of leading charged particles and leading charged-particle jets at small transverse momenta in pp collisions at $$\\sqrt{s}$$ = 8 TeV

    DOE PAGES

    Khachatryan, Vardan

    2015-12-01

    The per-event yield of the highest transverse momentum charged particle and charged-particle jet, integrated above a given pminT threshold starting at pminT=0.8 and 1 GeV, respectively, is studied in pp collisions at s√=8 TeV. Furthermore, the particles and the jets are measured in the pseudorapidity ranges |η|<2.4 and 1.9, respectively. Our data are sensitive to the momentum scale at which parton densities saturate in the proton, to multiple partonic interactions, and to other key aspects of the transition between the soft and hard QCD regimes in hadronic collisions.

  1. Fluctuations in charged particle multiplicities in relativistic heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Mukherjee, Maitreyee; Basu, Sumit; Choudhury, Subikash; Nayak, Tapan K.

    2016-08-01

    Multiplicity distributions of charged particles and their event-by-event fluctuations have been compiled for relativistic heavy-ion collisions from the available experimental data at Brookhaven National Laboratory and CERN and also by the use of an event generator. Multiplicity fluctuations are sensitive to QCD phase transition and to the presence of a critical point in the QCD phase diagram. In addition, multiplicity fluctuations provide baselines for other event-by-event measurements. Multiplicity fluctuation expressed in terms of the scaled variance of the multiplicity distribution is an intensive quantity, but is sensitive to the volume fluctuation of the system. The importance of the choice of narrow centrality bins and the corrections of the centrality bin-width effect for controlling volume fluctuations have been discussed. It is observed that the mean and width of the multiplicity distributions monotonically increase as functions of increasing centrality at all collision energies, whereas the multiplicity fluctuations show minimal variations with centrality. The beam-energy dependence shows that the multiplicity fluctuations have a slow rise at lower collision energies and remain constant at higher energies.

  2. Efficient Super Energy Transfer Collisions Through Reactive-Complex Formation: H + SO2

    NASA Astrophysics Data System (ADS)

    Smith, Jonathan M.; Wilhelm, Michael J.; Ma, Jianqiang; Dai, HAI-LUNG

    2015-06-01

    Translational-to-vibrational energy transfer (ET) from a hyperthermal H atom to ambient SO2 was characterized using time-resolved Fourier transform infrared emission spectroscopy. Vibrational excitation of SO2, following collisions with H atoms containing 59 kcal/mol of kinetic energy, generated from the 193 nm photolysis of HBr, is detected in two distinct energy distributions: one with excitation predominantly at the fundamental vibrational levels is attributable to classical impulsive collisions, while the other, accounting for 80% of the excited SO2 with vibrational energy as high as 14,000 wn, is proposed to arise from the formation of a transient reactive-complex during the collision. The cross-section for this super ET collision is determined to be 0.53±0.05 Å2, or roughly 2% of all hard sphere collisions. This observation reveals that in collisions between a hyperthermal atom and an ambient molecule, for which a reactive-complex exists on the potential energy surface, a large quantity of translational energy can be transferred to the molecule with high efficiency.

  3. Photo-Induced Atom-Transfer Radical Reactions Using Charge-Transfer Complex between Iodine and Tertiary Amine.

    PubMed

    Yoshioka, Eito; Kohtani, Shigeru; Hashimoto, Takurou; Takebe, Tomoko; Miyabe, Hideto

    2017-01-01

    In the presence of charge-transfer complexes between iodine and tertiary amines, the aqueous-medium atom-transfer radical reactions proceeded under visible light irradiation without the typical photocatalysts.

  4. Ultrafast charge transfer via a conical intersection in dimethylaminobenzonitrile.

    PubMed

    Fuss, Werner; Pushpa, Kumbil Kuttan; Rettig, Wolfgang; Schmid, Wolfram E; Trushin, Sergei A

    2002-04-01

    The L(a)-like S2 state (2A) of 4-(dimethylamino)benzonitrile was pumped at 267 nm in the gas phase at 130 degrees C. Nonresonant multiphoton ionization at 800 nm with mass-selective detection then probed the subsequent processes. Whereas ionization at the Franck-Condon geometry only gave rise to the parent ion, fragmentation increased on motion towards the charge-transfer (CT) state. This useful difference is ascribed to a geometry-dependent resonance in the ion. The time constants found are interpreted by ultrafast (approximately 68 fs) relaxation through a conical intersection to both the CT and the L(b)-type S1 state (1B). Then the population equilibrates between these two states within 1 ps. From there the molecule relaxes within 90 ps to a lower excited state which can only be a triplet state (T(n)) and then decomposes within 300 ps. Previous experiments either investigated only 1B --> CT relaxation-which does not take place in the gas phase or nonpolar solvents for energetic reasons--or, starting from S2 excitation, typically had insufficient time resolution (>1 ps) to detect the temporary charge transfer. Only recently temporary population of the CT state was found in a nonpolar solvent (Kwok et al., J. Phys. Chem. A. 2000, 104, 4188), a result fully consistent with our mechanism. We also show that S2 --> S1 relaxation does not occur vertically but involves an intermediate strong geometrical distortion, passing through a conical intersection.

  5. Charge transfer interactions in oligomer coated gold nanoclusters

    NASA Astrophysics Data System (ADS)

    Newmai, M. Boazbou; Kumar, Pandian Senthil

    2016-05-01

    Gold nanoclusters were synthesized by a bottom-up synergistic approach of in-situ oligomerization of the monomer, N-vinyl pyrrolidone (NVP) and simultaneous weak reduction of Au-NVP complexes in the absence of any other external energy sources, thereby making these tiny gold clusters as the most elemental building blocks to construct further novel nano/microstructures with application potentials. It is well-known that metal clusters with less than 2 nm size do not show the usual surface plasmon band, because of the presence of a band-gap at the fermi level. Nevertheless, our present oligomer coated gold clusters show a discrete intense band at around 630 nm, which could very well be attributed to the charge transfer between the oligomer chain and the surface Au atoms. Such kind of sacrificial plasmon induced charge transfer interaction, observed for the very first time to the best of our knowledge, were also strongly corroborated through the enhancement / shifting of specific vibrational / rotational peaks as observed from the FTIR and Raman measurements as a function of the metal oxidation states, thus representing a new prototype for an efficient solar energy conversion probe.

  6. Charge transfer interactions in oligomer coated gold nanoclusters

    SciTech Connect

    Newmai, M. Boazbou; Kumar, Pandian Senthil

    2016-05-23

    Gold nanoclusters were synthesized by a bottom-up synergistic approach of in-situ oligomerization of the monomer, N-vinyl pyrrolidone (NVP) and simultaneous weak reduction of Au-NVP complexes in the absence of any other external energy sources, thereby making these tiny gold clusters as the most elemental building blocks to construct further novel nano/microstructures with application potentials. It is well-known that metal clusters with less than 2 nm size do not show the usual surface plasmon band, because of the presence of a band-gap at the fermi level. Nevertheless, our present oligomer coated gold clusters show a discrete intense band at around 630 nm, which could very well be attributed to the charge transfer between the oligomer chain and the surface Au atoms. Such kind of sacrificial plasmon induced charge transfer interaction, observed for the very first time to the best of our knowledge, were also strongly corroborated through the enhancement / shifting of specific vibrational / rotational peaks as observed from the FTIR and Raman measurements as a function of the metal oxidation states, thus representing a new prototype for an efficient solar energy conversion probe.

  7. Experimental study of charge vertical transfer in surface air layer

    NASA Astrophysics Data System (ADS)

    Panchishkina, I. N.; Petrova, G. G.; Petrov, A. I.

    2017-05-01

    The variability of air-earth electric currents in the lower 3-m air layer is analyzed in a complex with measurement data on the physical parameters that affect charge transfer in the atmosphere. Three types of air-earth current density profiles have been revealed during experimental observations in summer in Rostov region: (1) the current density decreases with an increase in the distance from the Earth's surface and then stabilizes (nighttime conditions); (2) the current density increases with altitude up to 1 m and then decreases as altitude increases (day hours); (3) transient between types 1 and 2 that are observed in the morning and evening hours. The intensity of charge transfer in the surface air layer under the action of mechanical forces under different stratifications is estimated on the basis of data on altitude variations in the air-earth current density in view of the stationarity of electric processes and the constancy in the altitude of the total air-earth current density. Thermodynamic conditions are estimated with the use of wind velocity measurements and calculations of the turbulence factor and vertical component of the air temperature gradient.

  8. Vibrational energy transfer in molecular collisions andvan der Waals clusters: Experiments and trajectory calculations

    NASA Astrophysics Data System (ADS)

    Yoder, Laurie Miller

    2000-09-01

    Polyatomic molecules with significant amounts of vibrational energy have high state densities that preclude state-to-state energy transfer observations. Both experiments and calculations are used to quantify energy transfer within this energy continuum. The work focuses on vibrationally excited aromatic molecules containing 10 to 15 atoms (pyrazine, benzene, methylpyrazine, toluene, pyrimidine, and aniline). In collisional experiments, the average vibrational energy of hot molecules was monitored by infrared fluorescence as they were deactivated by collisions with the bath. The experimental data were modeled with master equation simulations. The results for pyrazine show that the temperature dependence of the energy transfer is weak, and the average energy transferred per collision is approximately linearly dependent on vibrational energy. The experimental data cannot be modeled without invoking a biexponential collision step-size distribution, which implies that ``supercollisions,'' or very strongly deactivating collisions, are important. Additional information on the dynamics of energy transfer can be obtained through the vibrational predissociation of van der Waals dimers, which is the half-collision analog of a full collision. The ion imaging technique and a velocity-resolved time-of-flight technique were used to quantify the recoil energy released in the vibrational predissociation of triplet state mixed van der Waals dimers which contain ~2000 to ~8000 cm-1 of vibrational energy. The resulting recoil energy distributions peak near zero energy and are monotonically decreasing functions of energy. The fraction of initially available vibrational energy that appears as recoil energy is small. The average recoil energy is not strongly dependent on the initial vibrational energy or the density of states of the aromatic donor. Completely statistical models are unable to describe the results. Vibrational energy transfer both in van der Waals cluster predissociation

  9. Comparison of different coupling schemes between counterions and charged nanoparticles in multiparticle collision dynamics.

    PubMed

    Dahirel, Vincent; Zhao, Xudong; Jardat, Marie

    2016-08-01

    We applied the multiparticle collision dynamics (MPC) simulation technique to highly asymmetric electrolytes in solution, i.e., charged nanoparticles and their counterions in a solvent. These systems belong to a domain of solute size which ranges between the electrolyte and the colloidal domains, where most analytical theories are expected to fail, and efficient simulation techniques are still missing. MPC is a mesoscopic simulation method which mimics hydrodynamics properties of a fluid, includes thermal fluctuations, and can be coupled to a molecular dynamics of solutes. We took advantage of the size asymmetry between nanoparticles and counterions to treat the coupling between solutes and the solvent bath within the MPC method. Counterions were coupled to the solvent bath during the collision step and nanoparticles either through a direct interaction force or with stochastic rotation rules which mimic stick boundary conditions. Moreover, we adapted the simulation procedure to address the issue of the strong electrostatic interactions between solutes of opposite charges. We show that the short-ranged repulsion between counterions and nanoparticles can be modeled by stochastic reflection rules. This simulation scheme is very efficient from a computational point of view. We have also computed the transport coefficients for various densities. The diffusion of counterions was found in one case to increase slightly with the volume fraction of nanoparticles. The deviation of the electric conductivity from the ideal behavior (solutes at infinite dilution without any direct interactions) is found to be strong.

  10. Latest results of charged hadron flow measurements in CuAu collisions at RHIC-PHENIX

    NASA Astrophysics Data System (ADS)

    Nakagomi, Hiroshi

    2016-08-01

    Measurements of azimuthal anisotropic flow vn for inclusive charged hadrons and identified particles at mid rapidity in Cu+Au collisions at √sNN = 200GeV are presented. The data were recorded by the PHENIX experiment at Relativistic Heavy Ion Collider(RHIC). Directed, elliptic and triangular flow as a function of transverse momentum pT are measured with respect to event planes. The inclusive charged hadron vi shows the negative value at high pT. The v2 and v3 are compared to those in Au+Au and Cu+Cu collisions. We find the v 2 and v3 follow an empirical scaling with 1/(ɛnN1/3 part). We also compare the v2 and v3 to hydrodynamical predictions. The identified particles v2 and v3 show a mass ordering in low pT region and baryon and meson splitting in high pT region. However the identified hadron v1 only shows mass ordering in mid pT region.

  11. Comparison of different coupling schemes between counterions and charged nanoparticles in multiparticle collision dynamics

    NASA Astrophysics Data System (ADS)

    Dahirel, Vincent; Zhao, Xudong; Jardat, Marie

    2016-08-01

    We applied the multiparticle collision dynamics (MPC) simulation technique to highly asymmetric electrolytes in solution, i.e., charged nanoparticles and their counterions in a solvent. These systems belong to a domain of solute size which ranges between the electrolyte and the colloidal domains, where most analytical theories are expected to fail, and efficient simulation techniques are still missing. MPC is a mesoscopic simulation method which mimics hydrodynamics properties of a fluid, includes thermal fluctuations, and can be coupled to a molecular dynamics of solutes. We took advantage of the size asymmetry between nanoparticles and counterions to treat the coupling between solutes and the solvent bath within the MPC method. Counterions were coupled to the solvent bath during the collision step and nanoparticles either through a direct interaction force or with stochastic rotation rules which mimic stick boundary conditions. Moreover, we adapted the simulation procedure to address the issue of the strong electrostatic interactions between solutes of opposite charges. We show that the short-ranged repulsion between counterions and nanoparticles can be modeled by stochastic reflection rules. This simulation scheme is very efficient from a computational point of view. We have also computed the transport coefficients for various densities. The diffusion of counterions was found in one case to increase slightly with the volume fraction of nanoparticles. The deviation of the electric conductivity from the ideal behavior (solutes at infinite dilution without any direct interactions) is found to be strong.

  12. Mutation induction by charged particles of defined linear energy transfer.

    PubMed

    Hei, T K; Chen, D J; Brenner, D J; Hall, E J

    1988-07-01

    The mutagenic potential of charged particles of defined linear energy transfer (LET) was assessed using the hypoxanthine-guanine phosphoribosyl transferase locus (HGPRT) in primary human fibroblasts. Exponentially growing cultures of early passaged fibroblasts were grown as monolayers on thin mylar sheets and were irradiated with accelerated protons, deuterons or helium-3 ions. The mutation rates were compared with those generated by 137Cs gamma-rays. LET values for charged particles accelerated at the Radiological Research Accelerator Facility, using the track segment mode, ranged from 10 to 150 keV/micron. After irradiation, cells were trypsinized, subcultured and assayed for both cytotoxicity and 6-thioguanine resistance. For gamma-rays, and for the charged particles of lower LET, the dose-response curves for cell survival were characterized by a marked initial shoulder, but approximated to an exponential function of dose for higher LETs. Mutation frequencies, likewise, showed a direct correlation to LET over the dose range examined. Relative biological effectiveness (RBE) for mutagenesis, based on the initial slopes of the dose-response curves, ranged from 1.30 for 10 keV/micron protons to 9.40 for 150 keV/micron helium-3 ions. Results of the present studies indicate that high-LET radiations, apart from being efficient inducers of cell lethality, are even more efficient in mutation induction as compared to low-LET ionizing radiation. These data are consistent with results previously obtained with both rodent and human fibroblast cell lines.

  13. Search for charged Higgs bosons in e(+)e(-) collisions at [Formula: see text].

    PubMed

    Abbiendi, G; Ainsley, C; Åkesson, P F; Alexander, G; Anagnostou, G; Anderson, K J; Asai, S; Axen, D; Bailey, I; Barberio, E; Barillari, T; Barlow, R J; Batley, R J; Bechtle, P; Behnke, T; Bell, K W; Bell, P J; Bella, G; Bellerive, A; Benelli, G; Bethke, S; Biebel, O; Boeriu, O; Bock, P; Boutemeur, M; Braibant, S; Brown, R M; Burckhart, H J; Campana, S; Capiluppi, P; Carnegie, R K; Carter, A A; Carter, J R; Chang, C Y; Charlton, D G; Ciocca, C; Csilling, A; Cuffiani, M; Dado, S; Dallavalle, M; De Roeck, A; De Wolf, E A; Desch, K; Dienes, B; Dubbert, J; Duchovni, E; Duckeck, G; Duerdoth, I P; Etzion, E; Fabbri, F; Ferrari, P; Fiedler, F; Fleck, I; Ford, M; Frey, A; Gagnon, P; Gary, J W; Geich-Gimbel, C; Giacomelli, G; Giacomelli, P; Giunta, M; Goldberg, J; Gross, E; Grunhaus, J; Gruwé, M; Gupta, A; Hajdu, C; Hamann, M; Hanson, G G; Harel, A; Hauschild, M; Hawkes, C M; Hawkings, R; Herten, G; Heuer, R D; Hill, J C; Hoffman, K; Horváth, D; Igo-Kemenes, P; Ishii, K; Jeremie, H; Jovanovic, P; Junk, T R; Kanzaki, J; Karlen, D; Kawagoe, K; Kawamoto, T; Keeler, R K; Kellogg, R G; Kennedy, B W; Kluth, S; Kobayashi, T; Kobel, M; Komamiya, S; Krämer, T; Krasznahorkay, A; Krieger, P; von Krogh, J; Kuhl, T; Kupper, M; Lafferty, G D; Landsman, H; Lanske, D; Lellouch, D; Letts, J; Levinson, L; Lillich, J; Lloyd, S L; Loebinger, F K; Lu, J; Ludwig, A; Ludwig, J; Mader, W; Marcellini, S; Marchant, T E; Martin, A J; Mashimo, T; Mättig, P; McKenna, J; McPherson, R A; Meijers, F; Menges, W; Merritt, F S; Mes, H; Meyer, N; Michelini, A; Mihara, S; Mikenberg, G; Miller, D J; Mohr, W; Mori, T; Mutter, A; Nagai, K; Nakamura, I; Nanjo, H; Neal, H A; O'Neale, S W; Oh, A; Okpara, A; Oreglia, M J; Orito, S; Pahl, C; Pásztor, G; Pater, J R; Pilcher, J E; Pinfold, J; Plane, D E; Pooth, O; Przybycień, M; Quadt, A; Rabbertz, K; Rembser, C; Renkel, P; Roney, J M; Rossi, A M; Rozen, Y; Runge, K; Sachs, K; Saeki, T; Sarkisyan, E K G; Schaile, A D; Schaile, O; Scharff-Hansen, P; Schieck, J; Schörner-Sadenius, T; Schröder, M; Schumacher, M; Seuster, R; Shears, T G; Shen, B C; Sherwood, P; Skuja, A; Smith, A M; Sobie, R; Söldner-Rembold, S; Spano, F; Stahl, A; Strom, D; Ströhmer, R; Tarem, S; Tasevsky, M; Teuscher, R; Thomson, M A; Torrence, E; Toya, D; Trigger, I; Trócsányi, Z; Tsur, E; Turner-Watson, M F; Ueda, I; Ujvári, B; Vollmer, C F; Vannerem, P; Vértesi, R; Verzocchi, M; Voss, H; Vossebeld, J; Ward, C P; Ward, D R; Watkins, P M; Watson, A T; Watson, N K; Wells, P S; Wengler, T; Wermes, N; Wilson, G W; Wilson, J A; Wolf, G; Wyatt, T R; Yamashita, S; Zer-Zion, D; Zivkovic, L

    A search is made for charged Higgs bosons predicted by Two-Higgs-Doublet extensions of the Standard Model (2HDM) using electron-positron collision data collected by the OPAL experiment at [Formula: see text], corresponding to an integrated luminosity of approximately 600 pb(-1). Charged Higgs bosons are assumed to be pair-produced and to decay into [Formula: see text], τντ or AW(±). No signal is observed. Model-independent limits on the charged Higgs-boson production cross section are derived by combining these results with previous searches at lower energies. Under the assumption [Formula: see text], motivated by general 2HDM type II models, excluded areas on the [Formula: see text] plane are presented and charged Higgs bosons are excluded up to a mass of 76.3 GeV at 95 % confidence level, independent of the branching ratio BR(H(±)→τντ ). A scan of the 2HDM type I model parameter space is performed and limits on the Higgs-boson masses [Formula: see text] and mA are presented for different choices of tanβ.

  14. Absolute Charge Exchange Cross Sections for ^3He^2+ Collisions with ^4He and H_2

    NASA Astrophysics Data System (ADS)

    Mawhorter, R. J.; Greenwood, J.; Smith, S. J.; Chutjian, A.

    2002-05-01

    The JPL charge exchange beam-line(J.B. Greenwood, et al., Phys. Rev A 63), 062707 (2001) was modified to increase the forward acceptance angle and enable the measurement of total charge-exchange cross sections for slow, light, highly-charged ion collisions with neutral targets(R. E. Olson and M. Kimura, J. Phys. B 15), 4231 (1982). Data are presented for single charge exchange cross sections for ^3He^2+ nuclei scattered by ^4He and H2 in the energy range 0.33-4.67 keV/amu. For both targets there is good agreement with Kusakabe, et al.(T. Kusakabe, et al., J. Phys. Soc. Japan 59), 1218 (1990). Angular collection is studied by a comparison with differential measurements(D. Bordenave-Montesquieu and R. Dagnac, J. Phys. B 27), 543 (1994), as well as with earlier JPL results(J.B. Greenwood, et al., Ap. J. 533), L175 (2000), ibid. 529, 605 (2000) using heavier projectiles and targets. This work was carried out at JPL/Caltech, and was supported through contract with NASA. RJM thanks the NRC for a Senior Associateship at JPL.

  15. Transfer RNA: a dancer between charging and mis-charging for protein biosynthesis.

    PubMed

    Zhou, Xiaolong; Wang, Enduo

    2013-10-01

    Transfer RNA plays a fundamental role in the protein biosynthesis as an adaptor molecule by functioning as a biological link between the genetic nucleotide sequence in the mRNA and the amino acid sequence in the protein. To perform its role in protein biosynthesis, it has to be accurately recognized by aminoacyl-tRNA synthetases (aaRSs) to generate aminoacyl-tRNAs (aa-tRNAs). The correct pairing between an amino acid with its cognate tRNA is crucial for translational quality control. Production and utilization of mis-charged tRNAs are usually detrimental for all the species, resulting in cellular dysfunctions. Correct aa-tRNAs formation is collectively controlled by aaRSs with distinct mechanisms and/or other trans-factors. However, in very limited instances, mis-charged tRNAs are intermediate for specific pathways or essential components for the translational machinery. Here, from the point of accuracy in tRNA charging, we review our understanding about the mechanism ensuring correct aa-tRNA generation. In addition, some unique mis-charged tRNA species necessary for the organism are also briefly described.

  16. Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared Intensities.

    PubMed

    Duarte, Leonardo José; Richter, Wagner Eduardo; Silva, Arnaldo F; Bruns, Roy Edward

    2017-10-02

    Fundamental infrared intensities of gas-phase molecules are sensitive probes of changes in electronic structure accompanying small molecular distortions. Models containing charge, charge transfer and dipolar polarization effects are necessary for a successful classification of the C-H, C-F and C-Cl stretching and bending intensities. C-H stretching and in-plane bending vibrations involving sp3 carbon atoms have small equilibrium charge contributions and are accurately modeled by the charge transfer- counterpolarization contribution and its interaction with equilibrium charge movement. Large C-F and C=O stretching intensities have dominant equilibrium charge movement contributions compared to their charge transfer-dipolar polarization ones and are accurately estimated by equilibrium charge and the interaction contribution. The C-F and C-Cl bending modes have charge and charge transfer-dipolar polarization contribution sums that are of similar size but opposite sign to their interaction values resulting in small intensities. Experimental in-plane C-H bends have small average intensities of 12.6±10.4 km mol-1 owing to negligible charge contributions and charge transfer-counterpolarization cancellations, whereas their average out-of-plane experimental intensities are much larger, 65.7±20.0 km mol-1,as charge transfer is zero and only dipolar polarization takes place. The C-F bending intensities have large charge contributions but very small intensities. Their average experimental out-of-plane intensity of 9.9±12.6 km mol-1 arises from the cancellation of large charge contributions by dipolar polarization contributions. The experimental average in-plane C-F bending intensities, 5.8±7.3 km mol-1 is also small owing to charge and charge transfer-counterpolarization sums being cancelled by their interaction contributions. Models containing only atomic charges and their fluxes are incapable of describing electronic structure changes for simple molecular distortions that

  17. Vibrationally resolved charge transfer of O{sup 3+} with molecular hydrogen

    SciTech Connect

    Wang, J.G.; Stancil, P.C.; Turner, A.R.; Cooper, D.L.

    2004-06-01

    Charge transfer due to collisions of ground state O{sup 3+}(2s{sup 2}2p {sup 2}P{sup o}) ions with molecular hydrogen are investigated using the quantum-mechanical molecular-orbital (QMO) coupled-channel method. The QMO calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach for a representative range of orientation angles and diatom internuclear separations. Vibrationally resolved cross sections for nondissociative single electron capture are obtained for energies between 0.1 eV/u and 10 keV/u for H{sub 2} in its ground vibrational level using the infinite order sudden approximation (IOSA). Two further approximations are considered in which the electronic radial couplings are assumed to be independent of the diatom stretching. In the first case, vibrational motion is taken into account by multiplying the electronic radial couplings by Franck-Condon (FC) ionization factors while in the second, vibrational motion is completely neglected. We refer to these two approaches as the vibrational sudden approximation (VSA) and the electronic approximation (EA), respectively. In the latter, the resulting cross sections for electronic transitions are multiplied by FC factors to obtain relative vibrationally resolved cross sections which are independent of the collision energy (the centroid approximation). Comparison with existing experimental data for total and electronic state-selective cross sections shows best agreement with IOSA and VSA, but discrepancies for EA. The triplet-singlet electronic cross section ratio reveals a departure at low collision energies from the statistical value.

  18. Near-resonant vibration. -->. vibration energy transfer under single-collision conditions. [Propynal

    SciTech Connect

    Breener, D M

    1981-01-01

    Energy transfer in single collisions of propynal (HC triple bond C-CHO) subsequent to ir multiphonon absorption (CO/sub 2/ laser) was studied. SiF/sub 4/, CH/sub 3/F, CCl/sub 4/, and CH/sub 4/ were added. (DLC)

  19. Charge-transfer reactions, energy gaps, and electron-transfer diabatic surfaces

    NASA Astrophysics Data System (ADS)

    Marzari, Nicola; Sit, P. H.-L.

    2007-03-01

    Density-functional theory in the LDA or GGA approximation has become the widely-used standard model of condensed matter theory. I will discuss shortcomings and solutions to some of the problems that arise when addressing complex chemical reactions. These challenges include the correct description of electron-transfer processes, where electrons become delocalized and shared between ions that should be in different oxidation states. An effective solution can be obtained by introducing a penalty functional that imposes the correct charge state on the ions involved in the reaction [1]. This approach is validated in a model system, showing that the ground state and the charge-transfer excited state can be calculated with negligible errors, and then applied to the determination of the diabatic free-energy surfaces for ferrous and ferric ions in solution. [1] P. H.-L. Sit, Matteo Cococcioni and Nicola Marzari, Phys. Rev. Lett. 97, 028303 (2006).

  20. Elastic, charge transfer, and related transport cross sections for proton impact of atomic hydrogen for astrophysical and laboratory plasma modeling

    NASA Astrophysics Data System (ADS)

    Schultz, D. R.; Ovchinnikov, S. Yu; Stancil, P. C.; Zaman, T.

    2016-04-01

    Updating and extending previous work (Krstić and Schultz 1999 J. Phys. B: At. Mol. Opt. Phys. 32 3458 and other references) comprehensive calculations were performed for elastic scattering and charge transfer in proton—atomic hydrogen collisions. The results, obtained for 1301 collision energies in the center-of-mass energy range of 10-4-104 eV, are provided for integral and differential cross sections relevant to transport modeling in astrophysical and other plasma environments, and are made available through a website. Use of the data is demonstrated through a Monte Carlo transport simulation of solar wind proton propagation through atomic hydrogen gas representing a simple model of the solar wind interaction with heliospheric neutrals.

  1. Native-Like and Denatured Cytochrome c Ions Yield Cation-to-Anion Proton Transfer Reaction Products with Similar Collision Cross-Sections

    NASA Astrophysics Data System (ADS)

    Laszlo, Kenneth J.; Buckner, John H.; Munger, Eleanor B.; Bush, Matthew F.

    2017-02-01

    The relationship between structures of protein ions, their charge states, and their original structures prior to ionization remains challenging to decouple. Here, we use cation-to-anion proton transfer reactions (CAPTR) to reduce the charge states of cytochrome c ions in the gas phase, and ion mobility to probe their structures. Ions were formed using a new temperature-controlled nanoelectrospray ionization source at 25 °C. Characterization of this source demonstrates that the temperature of the liquid sample is decoupled from that of the atmospheric pressure interface, which is heated during CAPTR experiments. Ionization from denaturing conditions yields 18+ to 8+ ions, which were each isolated and reacted with monoanions to generate all CAPTR products with charge states of at least 3+. The highest, intermediate, and lowest charge-state products exhibit collision cross-section distributions that are unimodal, multimodal, and unimodal, respectively. These distributions depend strongly on the charge state of the product, although those for the intermediate charge-state products also depend on that of the precursor. The distributions of the 3+ products are all similar, with averages that are less than half that of the 18+ precursor ions. Ionization of cytochrome c from native-like conditions yields 7+ and 6+ ions. The 3+ CAPTR products from these precursors have slightly more compact collision cross-section distributions that are indistinguishable from those for the 3+ CAPTR products from denaturing conditions. More broadly, these results indicate that the collision cross-sections of ions of this single domain protein depend strongly on charge state for charge states greater than 4.

  2. Native-Like and Denatured Cytochrome c Ions Yield Cation-to-Anion Proton Transfer Reaction Products with Similar Collision Cross-Sections

    NASA Astrophysics Data System (ADS)

    Laszlo, Kenneth J.; Buckner, John H.; Munger, Eleanor B.; Bush, Matthew F.

    2017-07-01

    The relationship between structures of protein ions, their charge states, and their original structures prior to ionization remains challenging to decouple. Here, we use cation-to-anion proton transfer reactions (CAPTR) to reduce the charge states of cytochrome c ions in the gas phase, and ion mobility to probe their structures. Ions were formed using a new temperature-controlled nanoelectrospray ionization source at 25 °C. Characterization of this source demonstrates that the temperature of the liquid sample is decoupled from that of the atmospheric pressure interface, which is heated during CAPTR experiments. Ionization from denaturing conditions yields 18+ to 8+ ions, which were each isolated and reacted with monoanions to generate all CAPTR products with charge states of at least 3+. The highest, intermediate, and lowest charge-state products exhibit collision cross-section distributions that are unimodal, multimodal, and unimodal, respectively. These distributions depend strongly on the charge state of the product, although those for the intermediate charge-state products also depend on that of the precursor. The distributions of the 3+ products are all similar, with averages that are less than half that of the 18+ precursor ions. Ionization of cytochrome c from native-like conditions yields 7+ and 6+ ions. The 3+ CAPTR products from these precursors have slightly more compact collision cross-section distributions that are indistinguishable from those for the 3+ CAPTR products from denaturing conditions. More broadly, these results indicate that the collision cross-sections of ions of this single domain protein depend strongly on charge state for charge states greater than 4.

  3. HST WFC3/UVIS: charge transfer efficiency monitoring and mitigation

    NASA Astrophysics Data System (ADS)

    Baggett, Sylvia M.; Sosey, Megan L.; Anderson, Jay; Gosmeyer, Catherine; Bourque, Matthew; Bajaj, Varun; Khandrika, Harish G.; Martlin, Catherine; Kozhurina-Platais, Vera; Sabbi, Elena; WFC3 Team

    2016-01-01

    The harsh low-earth orbit environment is known to damage CCD devices and the HST WFC3/UVIS camera is no exception. One consequence of the radiation damage is charge-transfer efficiency (CTE) loss over time. We summarize the level of the CTE losses, the effect on science data, and the pre- and post-observation mitigation options available. Among them is the pixel-based CTE correction, which has been incorporated into the HST automatic data processing pipeline. The pipeline now provides both standard and CTE-corrected data products; observers with older data can re-retrieve their images via the the Mikulski Archive for Space Telescopes (MAST) to obtain the new products.

  4. Charge transfer between O{sup +} ions and helium

    SciTech Connect

    Zhao, L.B.; Stancil, P.C.; Liebermann, H.P.; Funke, P.; Buenker, R.J.

    2005-06-15

    The charge-transfer processes O{sup +}({sup 4}S{sup 0},{sup 2}D{sup 0},{sup 2}P{sup 0})+He{yields}O({sup 3}P)+He{sup +} have been investigated by using a fully quantal molecular-orbital close-coupling (QMOCC) approach. Cross sections are presented for ion energies from 0.5 to 10 keV and compared with those from recent experiments and semiclassical theory. Good agreement is found between the QMOCC results and the measurements. Particular attention is given to addressing the metastable component of the experimental ion beams. We further argue that the so-called 'suppressed electron-capture effect' for metastable ions proposed by Wolfrum et al. is not a viable mechanism to explain their measurements. However, the current QMOCC calculations were found to reproduce neither the ground-state nor metastable-state cross sections predicted by the semiclassical method.

  5. Charge transfer in heterostructures of strongly correlated materials

    SciTech Connect

    Gonzalez Lopez Del Castillo, Ivan; Okamoto, Satoshi; Yunoki, Seiji; Moreo, Adriana; Dagotto, Elbio R

    2008-01-01

    In this work, recent theoretical investigations by the authors in the area of oxide multilayers are briefly reviewed. The calculations were carried out using model Hamiltonians and a variety of non-perturbative techniques. Moreover, new results are also included here. They correspond to the generation of a metallic state by mixing insulators in a multilayer geometry, using the Hubbard and double-exchange models. For the latter, the resulting metallic state is also ferromagnetic. This illustrates how electron or hole doping via transfer of charge in multilayers can lead to the study of phase diagrams of transition metal oxides in the clean limit. Currently, these phase diagrams are much affected by the disordering standard chemical doping procedure, which introduces quenched disorder in the material.

  6. Charge transfer in heterostructures of strongly correlated materials.

    PubMed

    González, I; Okamoto, S; Yunoki, S; Moreo, A; Dagotto, E

    2008-07-02

    In this work, recent theoretical investigations by the authors in the area of oxide multilayers are briefly reviewed. The calculations were carried out using model Hamiltonians and a variety of non-perturbative techniques. Moreover, new results are also included here. They correspond to the generation of a metallic state by mixing insulators in a multilayer geometry, using the Hubbard and double-exchange models. For the latter, the resulting metallic state is also ferromagnetic. This illustrates how electron or hole doping via transfer of charge in multilayers can lead to the study of phase diagrams of transition metal oxides in the clean limit. Currently, these phase diagrams are much affected by the disordering standard chemical doping procedure, which introduces quenched disorder in the material.

  7. Charge transfer doping of graphene without degrading carrier mobility

    NASA Astrophysics Data System (ADS)

    Lu, Haichang; Guo, Yuzheng; Robertson, John

    2017-06-01

    Density functional calculations are used to analyze the charge transfer doping mechanism by molecules absorbed onto graphene. Typical dopants studied are AuCl3, FeCl3, SbF5, HNO3, MoO3, Cs2O, O2, and OH. The Fermi level shifts are correlated with the electron affinity or ionization potential of the dopants. We pay particular attention to whether the dopants form direct chemisorptive bonds which cause the underlying carbon atoms to pucker to form sp3 sites as these interrupt the π bonding of the basal plane, and cause carrier scattering and thus degrade the carrier mobility. Most species even those with high or low electronegativity do not cause puckering. In contrast, reactive radicals like -OH cause puckering of the basal plane, creating sp3 sites which degrade mobility.

  8. Charge transfer processes: the role of optimized molecular orbitals.

    PubMed

    Meyer, Benjamin; Domingo, Alex; Krah, Tim; Robert, Vincent

    2014-08-07

    The influence of the molecular orbitals on charge transfer (CT) reactions is analyzed through wave function-based calculations. Characteristic CT processes in the organic radical 2,5-di-tert-butyl-6-oxophenalenoxyl linked with tetrathiafulvalene and the inorganic crystalline material LaMnO3 show that changes in the inner shells must be explicitly taken into account. Such electronic reorganization can lead to a reduction of the CT vertical transition energy up to 66%. A state-specific approach accessible through an adapted CASSCF (complete active space self-consistent field) methodology is capable of reaching good agreement with the experimental spectroscopy of CT processes. A partitioning of the relaxation energy in terms of valence- and inner-shells is offered and sheds light on their relative importance. This work paves the way to the intimate description of redox reactions using quantum chemistry methods.

  9. Negative thermal expansion induced by intermetallic charge transfer

    PubMed Central

    Azuma, Masaki; Oka, Kengo; Nabetani, Koichiro

    2015-01-01

    Suppression of thermal expansion is of great importance for industry. Negative thermal expansion (NTE) materials which shrink on heating and expand on cooling are therefore attracting keen attention. Here we provide a brief overview of NTE induced by intermetallic charge transfer in A-site ordered double perovskites SaCu3Fe4O12 and LaCu3Fe4−xMnxO12, as well as in Bi or Ni substituted BiNiO3. The last compound shows a colossal dilatometric linear thermal expansion coefficient exceeding −70 × 10−6 K−1 near room temperature, in the temperature range which can be controlled by substitution. PMID:27877801

  10. The charge-transfer complex trans-STB-TCNQF4.

    PubMed

    Sato, A; Okada, M; Saito, K; Sorai, M

    2001-05-01

    In the crystal structure of the title charge-transfer complex, namely trans-stilbene-2,2'-(2,3,5,6-tetrafluorobenzene-1,4-diylidene)propanedinitrile (1/1) (trans-STB-TCNQF(4)), C(14)H(12).C(12)F(4)N(4), the planar STB and TCNQF(4) molecules are stacked alternately. The structure is not isostructural with that of STB-TCNQ. No anomaly was found in the displacement parameters of any atoms, while the bond length of the central C=C moiety was shorter than the corresponding bond in ethylene. This suggests that the central C=C moiety of the STB molecule vibrates with a large amplitude, similar to the case in free STB and STB-TCNQ.

  11. Luminescent charge-transfer platinum(II) metallacycle.

    PubMed

    Hua, Fei; Kinayyigit, Solen; Rachford, Aaron A; Shikhova, Elena A; Goeb, Sébastien; Cable, John R; Adams, Christopher J; Kirschbaum, Kristin; Pinkerton, A Alan; Castellano, Felix N

    2007-10-15

    The photophysical and electrochemical properties of a platinum(II) diimine complex bearing the bidentate diacetylide ligand tolan-2,2'-diacetylide (tda), Pt(dbbpy)(tda) [dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine] (1), are compared with two reference compounds, Pt(dbbpy)(C[triple bond]CPh)(2) (2) and Pt(dppp)tda [dppp = 1,3-bis(diphenylphosphino)propane] (3), respectively. The X-ray crystal structure of 1 is reported, which illustrates the nearly perfect square planarity exhibited by this metallacycle. Chromophore 2 possesses low-lying charge-transfer excited states analogous to 1, whereas structure 3 lacks such excited states but features a low-lying platinum-perturbed tda intraligand triplet manifold. In CH(2)Cl(2), 1 exhibits a broad emission centered at 562 nm at ambient temperature, similar to 2, but with a higher photoluminescence quantum yield and longer excited-state lifetime. In both instances, the photoluminescence is consistent with triplet-charge-transfer excited-state parentage. The rigidity imposed by the cyclic diacetylide ligand in 1 leads to a reduction in nonradiative decay, which enhances its room-temperature photophysical properties. By comparison, 3 radiates highly structured tda-localized triplet-state phosphorescence at room temperature. The 77 K emission spectrum of 1 in 4:1 EtOH/MeOH becomes structured and is quantitatively similar to that measured for 3 under the same conditions. Because the 77 K spectra are nearly identical, the emissions are assigned as (3)tda in nature, implying that the charge-transfer states are raised in energy, relative to the (3)tda levels in 1 in the low-temperature glass. Nanosecond transient absorption spectrometry and ultrafast difference spectra were determined for 1-3 in CH(2)Cl(2) and DMF at ambient temperature. In 1 and 2, the major absorption transients are consistent with the one-electron reduced complexes, corroborated by reductive spectroelectrochemical measurements performed at room temperature. As 3

  12. Charge transfer emission of ytterbium-doped oxyborates.

    PubMed

    Sablayrolles, J; Jubera, V; Guillen, F; Garcia, A

    2008-03-01

    The ultraviolet spectroscopic properties of trivalent ytterbium have been studied at low temperature in one borate and two oxyborates in the ternary diagram Li(2)O-Y(2)O(3)-B(2)O(3). The UV luminescence was detected in the two ytterbium-doped oxyborates. The evolution of these emissions was studied as a function of the temperature. A determination of the configurational coordinate diagrams based on the Struck and Fonger model is proposed to calculate the position in energy of the charge transfer band afforded by the simulation of spectral distribution of these excitation and emission bands. The strong correlation between the luminescent properties and the environments of the rare earth is pointed out.

  13. Unfolding of event-by-event net-charge distributions in heavy-ion collision

    NASA Astrophysics Data System (ADS)

    Garg, P.; Mishra, D. K.; Netrakanti, P. K.; Mohanty, A. K.; Mohanty, B.

    2013-05-01

    We discuss a method to obtain the true event-by-event net-charge multiplicity distributions from a corresponding measured distribution which is subjected to detector effects such as finite particle counting efficiency. The approach is based on the Bayes method for the unfolding of distributions. We are able to faithfully unfold back the measured distributions to match their corresponding true distributions obtained for a widely varying underlying particle production mechanism, beam energy and collision centrality. Particularly the mean, variance, skewness, kurtosis and their products and ratios of net-charge distributions from the event generators are shown to be successfully unfolded from the measured distributions constructed to mimic a real experimental distribution. We demonstrate the necessity to account for detector effects before associating the higher moments of net-charge distributions with physical quantities or phenomena. The advantage of this approach is that one need not construct new observables to cancel out detector effects which lose their ability to be connected to physical quantities calculable in standard theories.

  14. Simulation of Neutron Wall and Charged Particle Veto Wall for Heavy Ion Collision

    NASA Astrophysics Data System (ADS)

    Tang, Jiashen

    2016-09-01

    Comparison of neutrons and protons emitted in heavy ion collisions is an observable to probe the density dependence of symmetry energy. The dimension of Neutron Wall (NW) at NSCL is about 2x2 m2 which is made of 25 Pyrex tubes filled with liquid Scintillator NE213 that detects recoil protons when neutron interacts with the scintillator. Although it attains excellent discrimination of γ - μ and neutron using Pulse Shape Discrimination method, it fails to discriminate charged particles from neutrons. To ensure 100% rejection of charged particles, we plan to build a Charged Particle Veto wall (VW), which will consist of 25 1-cm thick plastic scintillator bars placed directly in front of NW. Simulations using NPTool have been performed to determine the exact design of the VW. To make sure the VW completely covers the NW, overlap of alternate bars is needed. In the poster, I will show the advantage and disadvantage of the positioning plastic bars in a horizontal versus a vertical position as well as position correlation between NW and VW for signal matching. US NSF Grant No. PHY 1102511 and SURE programme, CUHK.

  15. Experiments with an ion-neutral hybrid trap: cold charge-exchange collisions

    NASA Astrophysics Data System (ADS)

    Smith, W. W.; Goodman, D. S.; Sivarajah, I.; Wells, J. E.; Banerjee, S.; Côté, R.; Michels, H. H.; Mongtomery, J. A.; Narducci, F. A.

    2014-01-01

    Due to their large trap depths (˜1 eV or 10,000 K), versatility, and ease of construction, Paul traps have important uses in high-resolution spectroscopy, plasma physics, and precision measurements of fundamental constants. An ion-neutral hybrid trap consisting of two separate but spatially concentric traps [a magneto-optic trap (MOT) for the neutral species and a mass-selective linear Paul trap for the ionic species] is an ideal apparatus for sympathetic cooling. However, over the past few years, hybrid traps have proven most useful in measuring elastic and charge-exchange rate constants of ion-neutral collisions over a wide temperature range from kilo-Kelvin to nano-Kelvin. We report some initially surprising results from a hybrid trap system in our laboratory where we have loaded the Paul trap with Ca+ ions in the presence of a Na MOT (localized dense gas of cold Na atoms). We find a strong loss of Ca+ ions with MOT exposure, attributed to an exothermic, non-resonant ion-neutral charge-exchange process with an activation barrier, which leads to the formation of Na+ ions. We propose a detailed mechanism for this process. We obtain an estimated measure of the rate constant for this charge exchange of ˜2 × 10-11 cm3/s, much less than the Langevin rate, which suggests that the Langevin assumption of unit efficiency in the reaction region is not correct in this case.

  16. Photoinduced Charge Transfer from Titania to Surface Doping Site

    PubMed Central

    Inerbaev, Talgat; Hoefelmeyer, James D.; Kilin, Dmitri S.

    2013-01-01

    We evaluate a theoretical model in which Ru is substituting for Ti at the (100) surface of anatase TiO2. Charge transfer from the photo-excited TiO2 substrate to the catalytic site triggers the photo-catalytic event (such as water oxidation or reduction half-reaction). We perform ab-initio computational modeling of the charge transfer dynamics on the interface of TiO2 nanorod and catalytic site. A slab of TiO2 represents a fragment of TiO2 nanorod in the anatase phase. Titanium to ruthenium replacement is performed in a way to match the symmetry of TiO2 substrate. One molecular layer of adsorbed water is taken into consideration to mimic the experimental conditions. It is found that these adsorbed water molecules saturate dangling surface bonds and drastically affect the electronic properties of systems investigated. The modeling is performed by reduced density matrix method in the basis of Kohn-Sham orbitals. A nano-catalyst modeled through replacement defect contributes energy levels near the bottom of the conduction band of TiO2 nano-structure. An exciton in the nano-rod is dissipating due to interaction with lattice vibrations, treated through non-adiabatic coupling. The electron relaxes to conduction band edge and then to the Ru cite with faster rate than hole relaxes to the Ru cite. These results are of the importance for an optimal design of nano-materials for photo-catalytic water splitting and solar energy harvesting. PMID:23795229

  17. Charge-Transfer Emitting Triarylborane π-Electron Systems.

    PubMed

    Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua

    2017-02-06

    Triarylboranes have attracted significantly increasing research interest as a remarkable class of photoelectronic π-electron materials. Because of the presence of vacant p orbital on the B center, the boryl group is a very unique electron acceptor that exhibits not only electron-accepting ability through p-π* conjugation but also high Lewis acidity to coordinate with Lewis bases and steric bulk arising from the aryl substituent on the B center to get enough kinetic stability. Thus, the incorporation of a trivalent B element into π-conjugated systems is an efficient strategy to tune the electronic and stereo structures and thus the photoelectronic properties of π-electron systems. When an electron-donating group, such as amino, is present, triarylboranes would likely display intramolecular charge-transfer transitions. These kinds of molecules are often highly emissive. In addition, the geometry of the molecules has a great impact on the emission properties. In this Forum Article, we herein describe our recent progress on the charge-transfer emitting triarylborane π-electron systems with novel geometries, which include the lateral boryl-substituted π-system with amino groups at the terminal positions, the o,o'-substituted biaryl π-system with boryl and amino groups at the o,o'-positions, a triarylborane-based BODIPY system, and a B,N/S-bridged ladder-type π-system. We mainly put the emphasis on the molecular design concept, structure-property relationships, intriguing emission properties and great applications of the corresponding triarylborane π-systems.

  18. Electron transfer, ionization, and excitation in atomic collisions. Progress report, June 15, 1992--June 14, 1995

    SciTech Connect

    Winter, T.G.; Alston, S.G.

    1995-08-01

    The research program of Winter and Alston addresses the fundamental processes of electron transfer, ionization, and excitation in ion-atom, ion-ion, and ion-molecule collisions. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-core interaction can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. Winter has focussed on intermediate collision energies (e.g., proton energies for p-He{sup +} collisions on the order of 100 kilo-electron volts), in which many electron states are strongly coupled during the collision and a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. Alston has concentrated on higher collision energies (million electron-volt energies), or asymmetric collision systems, for which the coupling of the projectile is weaker with, however, many more target states being coupled together so that high-order perturbation theory is essential. Several calculations by Winter and Alston are described, as set forth in the original proposal.

  19. Excitation of Terahertz Charge Transfer Plasmons in Metallic Fractal Structures

    NASA Astrophysics Data System (ADS)

    Ahmadivand, Arash; Gerislioglu, Burak; Sinha, Raju; Vabbina, Phani Kiran; Karabiyik, Mustafa; Pala, Nezih

    2017-08-01

    There have been extensive researches on terahertz (THz) plasmonic structures supporting resonant modes to demonstrate nano and microscale devices with high efficiency and responsivity as well as frequency selectivity. Here, using antisymmetric plasmonic fractal Y-shaped (FYS) structures as building blocks, we introduce a highly tunable four-member fractal assembly to support charge transfer plasmons (CTPs) and classical dipolar resonant modes with significant absorption cross section in the THz domain. We first present that the unique geometrical nature of the FYS system and corresponding spectral response allow for supporting intensified dipolar plasmonic modes under polarised light exposure in a standalone structure. In addition to classical dipolar mode, for the very first time, we demonstrated CTPs in the THz domain due to the direct shuttling of the charges across the metallic fractal microantenna which led to sharp resonant absorption peaks. Using both numerical and experimental studies, we have investigated and confirmed the excitation of the CTP modes and highly tunable spectral response of the proposed plasmonic fractal structure. This understanding opens new and promising horizons for tightly integrated THz devices with high efficiency and functionality.

  20. Carbon atomic wires: charge transfer induced electron conduction

    NASA Astrophysics Data System (ADS)

    Larade, Brian; Taylor, Jeremy; Mehrez, Hatem; Guo, Hong

    2001-03-01

    We report a first principles theoretical analysis of quantum transport properties of carbon atomic wires. Our theory is based on density functional theory within the LDA approximation, with standard norm conserving pseudopotentials defining the atomic core, and a localized orbital basis set to model the valence states. The charge density for the open atomic wire system is calculated using the non-equilibrium Green's functions. This theory is implemented in our molecular electronics modeling package McDCAL. For carbon atomic chains with different lengths in contact with metallic electrodes, we calculated linear DC conductance as a function of the chain-electrode distance and the current-voltage characteristics. Our results show that charge transfer from the electrodes to the atomic wire plays a most important role in aligning the Fermi level of the electrodes to the LUMO state of the atomic wire, inducing a substantial conductance variation due to this effect. Our results also show that the eigenstates of the carbon chain and band structure of the electrodes are of particular importance to the transport properties. We will compare our results to those obtained previously.

  1. Charge Transfer Efficiency in the WFPC2 CCD Arrays

    NASA Astrophysics Data System (ADS)

    Biretta, J.; Baggett, S.; Riess, A.; Schultz, A.; Casertano, S.; Gonzaga, S.; Heyer, I.; Koekemoer, A.; Mack, J.; McMaster, M.

    2001-05-01

    We present an overview of Charge Transfer Efficiency (CTE) issues in the WFPC2 CCDs, including results of recent on-orbit tests, and advice on mitigating CTE effects. CTE causes targets far from the CCD readout amplifier to appear fainter than similar targets near the amplifier. For bright targets, the maximum effect is only a few percent, but for faint stellar targets in recent images with very low background, the CTE effects can reach 50% or more. Studies using hotpixels, cosmic rays, and residual images as probes of CTE have revealed at least four distinct components of CTE losses. The largest effect appears related to trapping and release of charge on timescales of hundreds of milliseconds during the readout process. This is manifest as tails on images which extend for dozens of pixels in the Y-direction (parallel register direction) on the CCDs, which have the effect of robbing counts from typical small apertures used for photometry. Extended targets also are subject to CTE effects. Recent work shows that within small apertures, the CTE losses for faint galaxies are roughly similar to those for stellar targets with the same total counts. There are also small effects on the shapes of faint galaxies: the average profiles are asymmetric and consistent with charge being lost primarily from the amplifier side of the galaxy. We present current results of long-term photometric monitoring which show CTE problems steadily increasing with time. There is also some evidence for an acceleration of the effect. Preflashing the CCDs can reduce CTE effects, but the added noise usually makes this unattractive. A noise-less preflash technique has been tested, but only provides modest improvement. We discuss photometric CTE corrections which can be applied during data analysis, including the new Dolphin (2000) CTE corrections and their relation to the Whitmore et al. (1999) corrections.

  2. Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions.

    PubMed

    Kim, Hyunsik; Paul, Amit K; Pratihar, Subha; Hase, William L

    2016-07-14

    Chemical dynamics simulations were performed to investigate collisional energy transfer from highly vibrationally excited azulene (Az*) in a N2 bath. The intermolecular potential between Az and N2, used for the simulations, was determined from MP2/6-31+G* ab initio calculations. Az* is prepared with an 87.5 kcal/mol excitation energy by using quantum microcanonical sampling, including its 95.7 kcal/mol zero-point energy. The average energy of Az* versus time, obtained from the simulations, shows different rates of Az* deactivation depending on the N2 bath density. Using the N2 bath density and Lennard-Jones collision number, the average energy transfer per collision ⟨ΔEc⟩ was obtained for Az* as it is collisionally relaxed. By comparing ⟨ΔEc⟩ versus the bath density, the single collision limiting density was found for energy transfer. The resulting ⟨ΔEc⟩, for an 87.5 kcal/mol excitation energy, is 0.30 ± 0.01 and 0.32 ± 0.01 kcal/mol for harmonic and anharmonic Az potentials, respectively. For comparison, the experimental value is 0.57 ± 0.11 kcal/mol. During Az* relaxation there is no appreciable energy transfer to Az translation and rotation, and the energy transfer is to the N2 bath.

  3. The importance of momentum transfer in collision-induced breakups in low Earth orbit

    NASA Technical Reports Server (NTRS)

    Reynolds, Robert C.; Lillie, Brian J.

    1991-01-01

    Although there is adequate information on larger objects in low Earth orbit, specifically those objects larger than about 10 cm in diameter, there is little direct information on objects from this size down to 1 mm. Yet, this is the sized regime where objects acting as projectiles represent the ability to seriously damage or destroy a functioning spacecraft if they collide with it. The observed consequences of known collisional breakups in orbit indicates no significant momentum transfer in the resulting debris cloud. The position taken in this paper is that this is an observational selection effect: what is seen in these events is an explosion-like breakup of the target structure arising from shock waves introduced into the structure by the collision, but one that occurs significantly after the collision processes are completed; the collision cloud, in which there is momentum transfer, consists of small, unobserved fragments. Preliminary computations of the contribution of one known collisional breakup, Solwind at 500 km in 1985, and Cosmos 1275 in 1981, assume no momentum transfer on breakup and indicate that these two events are the dominant contributors to the current millimeter and centimeter population. A different story would emerge if momentum transfer was taken into account. The topics covered include: (1) observation of on-orbit collisional breakups; (2) a model for momentum transfer; and (3) velocity space representation of breakup clouds.

  4. Energy Transfer Collisional Process Involving Heteromolecular Collisions Between Methyl Fluoride and N_2, Ar, He, CO_2, and Air

    NASA Astrophysics Data System (ADS)

    Phillips, Dane J.; Everitt, Henry O.

    2013-06-01

    Time resolved IR/THz double resonance (DR) spectroscopy has been performed with a Q-switched CO_2 laser and heterodyne THz detection. The rate constants associated with allowed rotational- and vibrational-state changing collisions of CH_3F with N_2, Ar, He, CO_2, and air are measured by monitoring the temporal evolution of the absorption strength for numerous rotational transitions as a function of pressure. Collision partner dependent energy transfer processes are studied and compared with homomolecular collisions. Energy transfer maps and associated collisional cross sections will be presented for each collision partner.

  5. Scaling for state-selective charge exchange due to collisions of multicharged ions with hydrogen

    NASA Astrophysics Data System (ADS)

    Jorge, A.; Illescas, Clara; Miraglia, J. E.; Gravielle, M. S.

    2015-12-01

    In this article we evaluate state-resolved charge exchange cross sections for Be{}4+, {{{B}}}5+, {{{C}}}6+, {{{N}}}7+, and {{{O}}}8+ projectiles colliding with atomic hydrogen employing two different methods: the classical trajectory Monte Carlo and the eikonal impulse approximations. These cross sections are used to extend previously derived scaling laws for n-, nl-, and nlm-distributions to highly excited final levels with 4≤slant n≤slant 9, covering energies in the range 50-2000 {{keV}}/ amu. Present total and partial capture cross sections are in agreement with available experimental and theoretical data for these collision systems. Besides, the proposed scaling rules are also verified by other theories, becoming a useful instrument for plasma research.

  6. Scaling for state-selective charge exchange due to collisions of multicharged ions with hydrogen

    NASA Astrophysics Data System (ADS)

    Jorge, A.; Illescas, Clara; Miraglia, J. E.; Gravielle, M. S.

    2014-12-01

    In this article we evaluate state-resolved charge exchange cross sections for Be{}4+, {{{B}}}5+, {{{C}}}6+, {{{N}}}7+, and {{{O}}}8+ projectiles colliding with atomic hydrogen employing two different methods: the classical trajectory Monte Carlo and the eikonal impulse approximations. These cross sections are used to extend previously derived scaling laws for n-, nl-, and nlm-distributions to highly excited final levels with 4≤slant n≤slant 9, covering energies in the range 50-2000 {{keV}}/ amu. Present total and partial capture cross sections are in agreement with available experimental and theoretical data for these collision systems. Besides, the proposed scaling rules are also verified by other theories, becoming a useful instrument for plasma research.

  7. Laser Studies of - and Charge-Transfer Dynamics

    NASA Astrophysics Data System (ADS)

    Goldman, Jay Robert

    This thesis presents the results of three experiments which use lasers to investigate energy-transfer and charge -transfer dynamics. The dynamical processes studied include nanosecond vibrational energy transfer in molecules, subpicosecond electron relaxation in semiconductors, and subpicosecond initiation of surface bimolecular reactions on a metal crystal. In experiments using time-resolved coherent Raman spectroscopy to probe infrared multiphoton excited molecules, we study CO_2-laser excited SO _2 and SF_6. In SO _2 we observe direct nu _1-mode excitation and distinguish between this process and excitation of the nearly resonant nu_2-mode overtone. In SF _6, we directly observe nu _3-mode excitation followed by collisional energy redistribution to a heat bath of non-pumped modes. Quantitative modeling of the SF_6^ectra yields excited vibrational population distributions and resolves some long-standing inconsistencies between different previously published reports. In an experiment using time-resolved photoelectron spectroscopy, we observe the subpicosecond evolution of an optically-excited nonequilibrium electron distribution in silicon. We observe an electron thermalization time of less than 120 fs, electron equilibration with the lattice in 1 ps, and an energy-dependent electron cooling rate consistent with published calculations of the electron -phonon scattering rate. The results indicate the formation, in 1 ps, of a surface space-charge electron layer with an electron density two orders of magnitude greater than the bulk electron density. In an experiment using 100-fs laser pulses to induce desorption of O_2 and reaction of O_2+CO to form CO_2 on a Pt(111) surface, we present desorption and reaction data obtained over an absorbed fluence range of 1-20 mJ/cm_2 at wavelengths of 800, 400, and 266 nm. We observe a highly nonlinear desorption and reaction yield fluence dependence; the data are fit by a power law model in which the yield is proportional to

  8. Charge Transfer and Support Effects in Heterogeneous Catalysis

    SciTech Connect

    Hervier, Antoine

    2011-12-21

    The kinetic, electronic and spectroscopic properties of two-dimensional oxide-supported catalysts were investigated in order to understand the role of charge transfer in catalysis. Pt/TiO2 nanodiodes were fabricated and used as catalysts for hydrogen oxidation. During the reaction, the current through the diode, as well as its I-V curve, were monitored, while gas chromatography was used to measure the reaction rate. The current and the turnover rate were found to have the same temperature dependence, indicating that hydrogen oxidation leads to the non-adiabatic excitation of electrons in Pt. A fraction of these electrons have enough energy to ballistically transport through Pt and overcome the Schottky barrier at the interface with TiO2. The yield for this phenomenon is on the order of 10-4 electrons per product molecule formed, similar to what has been observed for CO oxidation and for the adsorption of many different molecules. The same Pt/TiO2 system was used to compare currents in hydrogen oxidation and deuterium oxidation. The current through the diode under deuterium oxidation was found to be greater than under hydrogen oxidation by a factor of three. Weighted by the difference in turnover frequencies for the two isotopes, this would imply a chemicurrent yield 5 times greater for D2 compared to H2, contrary to what is expected given the higher mass of D2. Reversible changes in the rectification factor of the diode are observed when switching between D2 and H2. These changes are a likely cause for the differences in current between the two isotopes. In the nanodiode experiments, surface chemistry leads to charge flow, suggesting the possibility of creating charge flow to tune surface chemistry. This was done first by exposing a Pt/Si diode to visible light while using it as a catalyst for H2 oxidation. Absorption of the light in the Si, combined with

  9. Low-temperature reflectance spectrum of the benzidine-TCNQ charge-transfer complex

    NASA Astrophysics Data System (ADS)

    Yakushi, Kyuya; Kuroda, Haruo

    1984-10-01

    Reflectance spectra of a single crystal of the charge-transfer complex between benzidine and 7,7,8,8-tetracyano- p-quino-dimethane (TCNQ) were measured at 30 K. The vibrational structure of the first charge-transfer band was found to be associated mainly with the intramolecular vibration of TCNQ. From its oscillator strength, the degree of charge transfer was estimated to be 0.28 at room temperature and 0.43 at 30 K. It is concluded that the charge-transfer exciton in this crystal is of localized nature.

  10. Vibrational population distributions of the product of the chemiluminescent charge transfer reaction: O + (2D)+HCl --> O+HCl + (A 2Sigma + )

    NASA Astrophysics Data System (ADS)

    Shiraishi, Yasushi; Kusunoki, Isao

    1987-12-01

    The chemiluminescent charge transfer reaction of O+ (2 D)ions with HCl has been studied in the energy range of 7 to 100 eVc.m. . The vibrational population distributions of the HCl+(A 2 Σ+,v') product have been analyzed from the emission spectra of the A→X transition. At low collision energy the distribution has a peak at v'=3. The partial reaction cross section σ(3) for this level increases with decreasing collision energy. The features of the reaction are very similar to the F+ +CO→ F+CO+ (A) reaction reported previously. The mechanism has been discussed on the basis of curve crossing between the initial and final states along the HCl vibrational coordinate in the asymptotic region of the [O-HCl]+ system. The projectile ions C+ and N+ have also been tested for the charge transfer reaction of HCl(X)→HCl+(A).

  11. Electron Transfer-Induced Fragmentation in (Bio)Molecules by Atom-Molecule Collisions

    NASA Astrophysics Data System (ADS)

    Limão-Vieira, Paulo; da Silva, Filipe Ferreira; Gómez-Tejedor, Gustavo García

    Ion-pair formation to gas phase molecules induced by electron transfer has been studied by investigating the products of collisions between fast potassium atoms and target molecules using a crossed molecular-beam technique. The negative ions formed in such collisions are TOF mass analysed. As far as (bio)molecules are concerned, TOF mass spectra at different collision energies reveal interesting anionic patterns with reduced fragmentation at lower impact energies. In the unimolecular decomposition of the temporary negative ion (TNI), complex internal rearrangement may involve the cleavage and formation of new bonds. In this chapter we report some of the recent achievements in negative ion formation of some polyatomic molecules with the special attention to biological relevant targets.

  12. Detection of Orbital Debris Collision Risks for the Automated Transfer Vehicle

    NASA Technical Reports Server (NTRS)

    Peret, L.; Legendre, P.; Delavault, S.; Martin, T.

    2007-01-01

    In this paper, we present a general collision risk assessment method, which has been applied through numerical simulations to the Automated Transfer Vehicle (ATV) case. During ATV ascent towards the International Space Station, close approaches between the ATV and objects of the USSTRACOM catalog will be monitored through collision rosk assessment. Usually, collision risk assessment relies on an exclusion volume or a probability threshold method. Probability methods are more effective than exclusion volumes but require accurate covariance data. In this work, we propose to use a criterion defined by an adaptive exclusion area. This criterion does not require any probability calculation but is more effective than exclusion volume methods as demonstrated by our numerical experiments. The results of these studies, when confirmed and finalized, will be used for the ATV operations.

  13. Laboratory Studies of Thermal Energy Charge Transfer of Silicon and Iron Ions in Astrophysical Plasmas

    NASA Technical Reports Server (NTRS)

    Kwong, Victor H. S.

    1996-01-01

    Charge transfer at electron-volt energies between multiply charged atomic ions and neutral atoms and molecules is of considerable importance in astrophysics, plasma physics, and in particular, fusion plasmas. In the year covered by this report, several major tasks were completed. These include: (1) the re-calibration of the ion gauge to measure the absolute particle densities of H2, He, N2, and CO for our current measurements; (2) the analysis of data for charge transfer reactions of N(exp 2 plus) ion and He, H2, N2, and CO; (3) measurement and data analysis of the charge transfer reaction of (Fe(exp 2 plus) ion and H2; (4) charge transfer measurement of Fe(exp 2 plus) ion and H2; and (5) redesign and modification of the ion detection and data acquisition system for the low energy beam facility (reflection time of flight mass spectrometer) dedicated to the study of state select charge transfer.

  14. Scaling laws for charge transfer in multiply bridged donor/acceptor molecules in a dissipative environment.

    PubMed

    Goldsmith, Randall H; Wasielewski, Michael R; Ratner, Mark A

    2007-10-31

    The ability of multiple spatial pathways to sum coherently and facilitate charge transfer is examined theoretically. The role of multiple spatial pathways in mediating charge transfer has been invoked several times in the recent literature while discussing charge transfer in proteins, while multiple spatial pathways are known to contribute to charge transport in metal-molecule-metal junctions. We look at scaling laws for charge transfer in donor-bridge-acceptor (D-B-A) molecules and show that these scaling laws change significantly when environment-induced dephasing is included. In some cases, D-B-A systems are expected to show no enhancement in the rate of charge transfer with the addition of multiple degenerate pathways. The origins of these different scaling laws are investigated by looking at which Liouville space pathways are active in different dephasing regimes.

  15. Measurement of azimuthal correlations of D mesons with charged particles in pp collisions at [Formula: see text] TeV and p-Pb collisions at [Formula: see text] TeV.

    PubMed

    Adam, J; Adamová, D; Aggarwal, M M; Aglieri Rinella, G; Agnello, M; Agrawal, N; Ahammed, Z; Ahmad, S; Ahn, S U; Aiola, S; Akindinov, A; Alam, S N; Albuquerque, D S D; Aleksandrov, D; Alessandro, B; Alexandre, D; Alfaro Molina, R; Alici, A; Alkin, A; Almaraz, J R M; Alme, J; Alt, T; Altinpinar, S; Altsybeev, I; Alves Garcia Prado, C; Andrei, C; Andronic, A; Anguelov, V; Antičić, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshäuser, H; Arcelli, S; Arnaldi, R; Arnold, O W; Arsene, I C; Arslandok, M; Audurier, B; Augustinus, A; Averbeck, R; Azmi, M D; Badalà, A; Baek, Y W; Bagnasco, S; Bailhache, R; Bala, R; Balasubramanian, S; Baldisseri, A; Baral, R C; Barbano, A M; Barbera, R; Barile, F; Barnaföldi, G G; Barnby, L S; Barret, V; Bartalini, P; Barth, K; Bartke, J; Bartsch, E; Basile, M; Bastid, N; Basu, S; Bathen, B; Batigne, G; Batista Camejo, A; Batyunya, B; Batzing, P C; Bearden, I G; Beck, H; Bedda, C; Behera, N K; Belikov, I; Bellini, F; Bello Martinez, H; Bellwied, R; Belmont, R; Belmont-Moreno, E; Beltran, L G E; Belyaev, V; Bencedi, G; Beole, S; Berceanu, I; Bercuci, A; Berdnikov, Y; Berenyi, D; Bertens, R A; Berzano, D; Betev, L; Bhasin, A; Bhat, I R; Bhati, A K; Bhattacharjee, B; Bhom, J; Bianchi, L; Bianchi, N; Bianchin, C; Bielčík, J; Bielčíková, J; Bilandzic, A; Biro, G; Biswas, R; Biswas, S; Bjelogrlic, S; Blair, J T; Blau, D; Blume, C; Bock, F; Bogdanov, A; Bøggild, H; Boldizsár, L; Bombara, M; Bonora, M; Book, J; Borel, H; Borissov, A; Borri, M; Bossú, F; Botta, E; Bourjau, C; Braun-Munzinger, P; Bregant, M; Breitner, T; Broker, T A; Browning, T A; Broz, M; Brucken, E J; Bruna, E; Bruno, G E; Budnikov, D; Buesching, H; Bufalino, S; Buitron, S A I; Buncic, P; Busch, O; Buthelezi, Z; Butt, J B; Buxton, J T; Cabala, J; Caffarri, D; Cai, X; Caines, H; Diaz, L Calero; Caliva, A; Calvo Villar, E; Camerini, P; Carena, F; Carena, W; Carnesecchi, F; Castillo Castellanos, J; Castro, A J; Casula, E A R; Ceballos Sanchez, C; Cepila, J; Cerello, P; Cerkala, J; Chang, B; Chapeland, S; Chartier, M; Charvet, J L; Chattopadhyay, S; Chattopadhyay, S; Chauvin, A; Chelnokov, V; Cherney, M; Cheshkov, C; Cheynis, B; Chibante Barroso, V; Chinellato, D D; Cho, S; Chochula, P; Choi, K; Chojnacki, M; Choudhury, S; Christakoglou, P; Christensen, C H; Christiansen, P; Chujo, T; Chung, S U; Cicalo, C; Cifarelli, L; Cindolo, F; Cleymans, J; Colamaria, F; Colella, D; Collu, A; Colocci, M; Conesa Balbastre, G; Conesa Del Valle, Z; Connors, M E; Contreras, J G; Cormier, T M; Corrales Morales, Y; Cortés Maldonado, I; Cortese, P; Cosentino, M R; Costa, F; Crkovská, J; Crochet, P; Cruz Albino, R; Cuautle, E; Cunqueiro, L; Dahms, T; Dainese, A; Danisch, M C; Danu, A; Das, D; Das, I; Das, S; Dash, A; Dash, S; De, S; De Caro, A; de Cataldo, G; de Conti, C; de Cuveland, J; De Falco, A; De Gruttola, D; De Marco, N; De Pasquale, S; De Souza, R D; Deisting, A; Deloff, A; Dénes, E; Deplano, C; Dhankher, P; Di Bari, D; Di Mauro, A; Di Nezza, P; Di Ruzza, B; Diaz Corchero, M A; Dietel, T; Dillenseger, P; Divià, R; Djuvsland, Ø; Dobrin, A; Domenicis Gimenez, D; Dönigus, B; Dordic, O; Drozhzhova, T; Dubey, A K; Dubla, A; Ducroux, L; Dupieux, P; Ehlers, R J; Elia, D; Endress, E; Engel, H; Epple, E; Erazmus, B; Erdemir, I; Erhardt, F; Espagnon, B; Estienne, M; Esumi, S; Eum, J; Evans, D; Evdokimov, S; Eyyubova, G; Fabbietti, L; Fabris, D; Faivre, J; Fantoni, A; Fasel, M; Feldkamp, L; Feliciello, A; Feofilov, G; Ferencei, J; Fernández Téllez, A; Ferreiro, E G; Ferretti, A; Festanti, A; Feuillard, V J G; Figiel, J; Figueredo, M A S; Filchagin, S; Finogeev, D; Fionda, F M; Fiore, E M; Fleck, M G; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Francescon, A; Francisco, A; Frankenfeld, U; Fronze, G G; Fuchs, U; Furget, C; Furs, A; Fusco Girard, M; Gaardhøje, J J; Gagliardi, M; Gago, A M; Gajdosova, K; Gallio, M; Galvan, C D; Gangadharan, D R; Ganoti, P; Gao, C; Garabatos, C; Garcia-Solis, E; Gargiulo, C; Gasik, P; Gauger, E F; Germain, M; Gheata, M; Ghosh, P; Ghosh, S K; Gianotti, P; Giubellino, P; Giubilato, P; Gladysz-Dziadus, E; Glässel, P; Goméz Coral, D M; Gomez Ramirez, A; Gonzalez, A S; Gonzalez, V; González-Zamora, P; Gorbunov, S; Görlich, L; Gotovac, S; Grabski, V; Grachov, O A; Graczykowski, L K; Graham, K L; Grelli, A; Grigoras, A; Grigoras, C; Grigoriev, V; Grigoryan, A; Grigoryan, S; Grinyov, B; Grion, N; Gronefeld, J M; Grosse-Oetringhaus, J F; Grosso, R; Gruber, L; Guber, F; Guernane, R; Guerzoni, B; Gulbrandsen, K; Gunji, T; Gupta, A; Gupta, R; Haake, R; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Hamon, J C; Harris, J W; Harton, A; Hatzifotiadou, D; Hayashi, S; Heckel, S T; Hellbär, E; Helstrup, H; Herghelegiu, A; Herrera Corral, G; Hess, B A; Hetland, K F; Hillemanns, H; Hippolyte, B; Horak, D; Hosokawa, R; Hristov, P; Hughes, C; Humanic, T J; Hussain, N; Hussain, T; Hutter, D; Hwang, D S; Ilkaev, R; Inaba, M; Incani, E; Ippolitov, M; Irfan, M; Isakov, V; Ivanov, M; Ivanov, V; Izucheev, V; Jacak, B; Jacazio, N; Jacobs, P M; Jadhav, M B; Jadlovska, S; Jadlovsky, J; Jahnke, C; Jakubowska, M J; Janik, M A; Jayarathna, P H S Y; Jena, C; Jena, S; Jimenez Bustamante, R T; Jones, P G; Jusko, A; Kalinak, P; Kalweit, A; Kang, J H; Kaplin, V; Kar, S; Karasu Uysal, A; Karavichev, O; Karavicheva, T; Karayan, L; Karpechev, E; Kebschull, U; Keidel, R; Keijdener, D L D; Keil, M; Khan, M Mohisin; Khan, P; Khan, S A; Khanzadeev, A; Kharlov, Y; Kileng, B; Kim, D W; Kim, D J; Kim, D; Kim, H; Kim, J S; Kim, J; Kim, M; Kim, M; Kim, S; Kim, T; Kirsch, S; Kisel, I; Kiselev, S; Kisiel, A; Kiss, G; Klay, J L; Klein, C; Klein, J; Klein-Bösing, C; Klewin, S; Kluge, A; Knichel, M L; Knospe, A G; Kobdaj, C; Kofarago, M; Kollegger, T; Kolojvari, A; Kondratiev, V; Kondratyeva, N; Kondratyuk, E; Konevskikh, A; Kopcik, M; Kour, M; Kouzinopoulos, C; Kovalenko, O; Kovalenko, V; Kowalski, M; Koyithatta Meethaleveedu, G; Králik, I; Kravčáková, A; Krivda, M; Krizek, F; Kryshen, E; Krzewicki, M; Kubera, A M; Kučera, V; Kuhn, C; Kuijer, P G; Kumar, A; Kumar, J; Kumar, L; Kumar, S; Kurashvili, P; Kurepin, A; Kurepin, A B; Kuryakin, A; Kweon, M J; Kwon, Y; La Pointe, S L; La Rocca, P; Ladron de Guevara, P; Lagana Fernandes, C; Lakomov, I; Langoy, R; Lapidus, K; Lara, C; Lardeux, A; Lattuca, A; Laudi, E; Lea, R; Leardini, L; Lee, S; Lehas, F; Lehner, S; Lemmon, R C; Lenti, V; Leogrande, E; León Monzón, I; León Vargas, H; Leoncino, M; Lévai, P; Li, S; Li, X; Lien, J; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Ljunggren, H M; Lodato, D F; Loenne, P I; Loginov, V; Loizides, C; Lopez, X; López Torres, E; Lowe, A; Luettig, P; Lunardon, M; Luparello, G; Lupi, M; Lutz, T H; Maevskaya, A; Mager, M; Mahajan, S; Mahmood, S M; Maire, A; Majka, R D; Malaev, M; Maldonado Cervantes, I; Malinina, L; Mal'Kevich, D; Malzacher, P; Mamonov, A; Manko, V; Manso, F; Manzari, V; Mao, Y; Marchisone, M; Mareš, J; Margagliotti, G V; Margotti, A; Margutti, J; Marín, A; Markert, C; Marquard, M; Martin, N A; Martinengo, P; Martínez, M I; Martínez García, G; Martinez Pedreira, M; Mas, A; Masciocchi, S; Masera, M; Masoni, A; Mastroserio, A; Matyja, A; Mayer, C; Mazer, J; Mazzoni, M A; Mcdonald, D; Meddi, F; Melikyan, Y; Menchaca-Rocha, A; Meninno, E; Mercado Pérez, J; Meres, M; Mhlanga, S; Miake, Y; Mieskolainen, M M; Mikhaylov, K; Milano, L; Milosevic, J; Mischke, A; Mishra, A N; Miśkowiec, D; Mitra, J; Mitu, C M; Mohammadi, N; Mohanty, B; Molnar, L; Montaño Zetina, L; Montes, E; Moreira De Godoy, D A; Moreno, L A P; Moretto, S; Morreale, A; Morsch, A; Muccifora, V; Mudnic, E; Mühlheim, D; Muhuri, S; Mukherjee, M; Mulligan, J D; Munhoz, M G; Münning, K; Munzer, R H; Murakami, H; Murray, S; Musa, L; Musinsky, J; Naik, B; Nair, R; Nandi, B K; Nania, R; Nappi, E; Naru, M U; Natal da Luz, H; Nattrass, C; Navarro, S R; Nayak, K; Nayak, R; Nayak, T K; Nazarenko, S; Nedosekin, A; Negrao De Oliveira, R A; Nellen, L; Ng, F; Nicassio, M; Niculescu, M; Niedziela, J; Nielsen, B S; Nikolaev, S; Nikulin, S; Nikulin, V; Noferini, F; Nomokonov, P; Nooren, G; Noris, J C C; Norman, J; Nyanin, A; Nystrand, J; Oeschler, H; Oh, S; Oh, S K; Ohlson, A; Okatan, A; Okubo, T; Olah, L; Oleniacz, J; Oliveira Da Silva, A C; Oliver, M H; Onderwaater, J; Oppedisano, C; Orava, R; Oravec, M; Ortiz Velasquez, A; Oskarsson, A; Otwinowski, J; Oyama, K; Ozdemir, M; Pachmayer, Y; Pagano, D; Pagano, P; Paić, G; Pal, S K; Palni, P; Pan, J; Pandey, A K; Papikyan, V; Pappalardo, G S; Pareek, P; Park, J; Park, W J; Parmar, S; Passfeld, A; Paticchio, V; Patra, R N; Paul, B; Pei, H; Peitzmann, T; Peng, X; Pereira Da Costa, H; Peresunko, D; Perez Lezama, E; Peskov, V; Pestov, Y; Petráček, V; Petrov, V; Petrovici, M; Petta, C; Piano, S; Pikna, M; Pillot, P; Pimentel, L O D L; Pinazza, O; Pinsky, L; Piyarathna, D B; Płoskoń, M; Planinic, M; Pluta, J; Pochybova, S; Podesta-Lerma, P L M; Poghosyan, M G; Polichtchouk, B; Poljak, N; Poonsawat, W; Pop, A; Poppenborg, H; Porteboeuf-Houssais, S; Porter, J; Pospisil, J; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puccio, M; Puddu, G; Pujahari, P; Punin, V; Putschke, J; Qvigstad, H; Rachevski, A; Raha, S; Rajput, S; Rak, J; Rakotozafindrabe, A; Ramello, L; Rami, F; Raniwala, R; Raniwala, S; Räsänen, S S; Rascanu, B T; Rathee, D; Read, K F; Redlich, K; Reed, R J; Rehman, A; Reichelt, P; Reidt, F; Ren, X; Renfordt, R; Reolon, A R; Reshetin, A; Reygers, K; Riabov, V; Ricci, R A; Richert, T; Richter, M; Riedler, P; Riegler, W; Riggi, F; Ristea, C; Rocco, E; Rodríguez Cahuantzi, M; Rodriguez Manso, A; Røed, K; Rogochaya, E; Rohr, D; Röhrich, D; Ronchetti, F; Ronflette, L; Rosnet, P; Rossi, A; Roukoutakis, F; Roy, A; Roy, C; Roy, P; Rubio Montero, A J; Rui, R; Russo, R; Ryabinkin, E; Ryabov, Y; Rybicki, A; Saarinen, S; Sadhu, S; Sadovsky, S; Šafařík, K; Sahlmuller, B; Sahoo, P; Sahoo, R; Sahoo, S; Sahu, P K; Saini, J; Sakai, S; Saleh, M A; Salzwedel, J; Sambyal, S; Samsonov, V; Šándor, L; Sandoval, A; Sano, M; Sarkar, D; Sarkar, N; Sarma, P; Scapparone, E; Scarlassara, F; Schiaua, C; Schicker, R; Schmidt, C; Schmidt, H R; Schmidt, M; Schuchmann, S; Schukraft, J; Schutz, Y; Schwarz, K; Schweda, K; Scioli, G; Scomparin, E; Scott, R; Šefčík, M; Seger, J E; Sekiguchi, Y; Sekihata, D; Selyuzhenkov, I; Senosi, K; Senyukov, S; Serradilla, E; Sevcenco, A; Shabanov, A; Shabetai, A; Shadura, O; Shahoyan, R; Shangaraev, A; Sharma, A; Sharma, M; Sharma, M; Sharma, N; Sheikh, A I; Shigaki, K; Shou, Q; Shtejer, K; Sibiriak, Y; Siddhanta, S; Sielewicz, K M; Siemiarczuk, T; Silvermyr, D; Silvestre, C; Simatovic, G; Simonetti, G; Singaraju, R; Singh, R; Singhal, V; Sinha, T; Sitar, B; Sitta, M; Skaali, T B; Slupecki, M; Smirnov, N; Snellings, R J M; Snellman, T W; Song, J; Song, M; Song, Z; Soramel, F; Sorensen, S; Sozzi, F; Spiriti, E; Sputowska, I; Spyropoulou-Stassinaki, M; Stachel, J; Stan, I; Stankus, P; Stenlund, E; Steyn, G; Stiller, J H; Stocco, D; Strmen, P; Suaide, A A P; Sugitate, T; Suire, C; Suleymanov, M; Suljic, M; Sultanov, R; Šumbera, M; Sumowidagdo, S; Szabo, A; Szarka, I; Szczepankiewicz, A; Szymanski, M; Tabassam, U; Takahashi, J; Tambave, G J; Tanaka, N; Tarhini, M; Tariq, M; Tarzila, M G; Tauro, A; Muñoz, G Tejeda; Telesca, A; Terasaki, K; Terrevoli, C; Teyssier, B; Thäder, J; Thakur, D; Thomas, D; Tieulent, R; Tikhonov, A; Timmins, A R; Toia, A; Trogolo, S; Trombetta, G; Trubnikov, V; Trzaska, W H; Tsuji, T; Tumkin, A; Turrisi, R; Tveter, T S; Ullaland, K; Uras, A; Usai, G L; Utrobicic, A; Vala, M; Valencia Palomo, L; Vallero, S; Van Der Maarel, J; Van Hoorne, J W; van Leeuwen, M; Vanat, T; Vande Vyvre, P; Varga, D; Vargas, A; Vargyas, M; Varma, R; Vasileiou, M; Vasiliev, A; Vauthier, A; Vázquez Doce, O; Vechernin, V; Veen, A M; Velure, A; Vercellin, E; Vergara Limón, S; Vernet, R; Verweij, M; Vickovic, L; Viinikainen, J; Vilakazi, Z; Villalobos Baillie, O; Villatoro Tello, A; Vinogradov, A; Vinogradov, L; Virgili, T; Vislavicius, V; Viyogi, Y P; Vodopyanov, A; Völkl, M A; Voloshin, K; Voloshin, S A; Volpe, G; von Haller, B; Vorobyev, I; Vranic, D; Vrláková, J; Vulpescu, B; Wagner, B; Wagner, J; Wang, H; Wang, M; Watanabe, D; Watanabe, Y; Weber, M; Weber, S G; Weiser, D F; Wessels, J P; Westerhoff, U; Whitehead, A M; Wiechula, J; Wikne, J; Wilk, G; Wilkinson, J; Willems, G A; Williams, M C S; Windelband, B; Winn, M; Yalcin, S; Yang, P; Yano, S; Yin, Z; Yokoyama, H; Yoo, I-K; Yoon, J H; Yurchenko, V; Zaborowska, A; Zaccolo, V; Zaman, A; Zampolli, C; Zanoli, H J C; Zaporozhets, S; Zardoshti, N; Zarochentsev, A; Závada, P; Zaviyalov, N; Zbroszczyk, H; Zgura, I S; Zhalov, M; Zhang, H; Zhang, X; Zhang, Y; Zhang, C; Zhang, Z; Zhao, C; Zhigareva, N; Zhou, D; Zhou, Y; Zhou, Z; Zhu, H; Zhu, J; Zichichi, A; Zimmermann, A; Zimmermann, M B; Zinovjev, G; Zyzak, M

    2017-01-01

    The azimuthal correlations of D mesons with charged particles were measured with the ALICE apparatus in pp collisions at [Formula: see text] and p-Pb collisions at [Formula: see text] at the Large Hadron Collider. [Formula: see text], [Formula: see text], and [Formula: see text] mesons and their charge conjugates with transverse momentum [Formula: see text] and rapidity in the nucleon-nucleon centre-of-mass system [Formula: see text] (pp collisions) and [Formula: see text] (p-Pb collisions) were correlated to charged particles with [Formula: see text]. The yield of charged particles in the correlation peak induced by the jet containing the D meson and the peak width are compatible within uncertainties in the two collision systems. The data are described within uncertainties by Monte-Carlo simulations based on PYTHIA, POWHEG, and EPOS 3 event generators.

  16. Mechanisms of proton transfer in proteins: Localized charge transfer versus delocalized soliton transfer

    PubMed Central

    Stuchebrukhov, Alexei A.

    2010-01-01

    Proton translocation coupled to redox chemistry is ubiquitous for membrane enzymes involved in energy generation in cells. In such enzymes, proton transport occurs in special proton conducting channels, which consist of a series of protonatable groups of the protein connected by chains of mobile water molecules. Here we discuss two possible mechanisms of proton transport along such structures: diffusion of a localized charge and delocalized soliton transitions, in which several protons are collectively shifted along a chain of hydrogen bonds. PMID:19391991

  17. Conserved charge fluctuations using the D measure in heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Mishra, D. K.; Netrakanti, P. K.; Garg, P.

    2017-05-01

    We study the net-charge fluctuation D -measure variable, in high-energy heavy-ion collisions in heavy-ion jet interaction generator (HIJING), ultrarelativistic quantum molecular dynamics (UrQMD), and hadron resonance gas (HRG) models for various center-of-mass energies (√{sNN}). The effects of kinematic acceptance and resonance decay, in the pseudorapidity acceptance interval (Δ η ) and lower transverse momentum (pTmin) threshold, on fluctuation measures are discussed. A strong dependence of D with the Δ η in HIJING and UrQMD models is observed as opposed to results obtained from the HRG model. The dissipation of fluctuation signal is estimated by fitting the D measure as a function of the Δ η . An extrapolated function for higher Δ η values at lower √{sNN} is different from the results obtained from models. Particle species dependence of D and the effect of the pTmin selection threshold are discussed in HIJING and HRG models. The comparison of D , at midrapidity, of net-charge fluctuations at various √{sNN} obtained from the models with the data from the A Large Ion Collider Experiment (ALICE) experiment is discussed. The results from the present paper as a function of Δ η and √{sNN} will provide a baseline for comparison to experimental measurements.

  18. A Model for the Coalescence of Abraded Nucleons in Heavy Charged Particle Collisions

    NASA Astrophysics Data System (ADS)

    de Wet, Wouter; Townsend, Lawrence; Werneth, Charles; Ford, William

    2016-09-01

    Accurate nuclear reaction models are required by the radiation transport codes used to predict the radiation field behind shielding in the space radiation environment. The resulting particle spectra and their corresponding biological response functions are used to estimate radiation risk to astronauts. Radiation transport codes use nuclear fragmentation models to describe the breakup of heavy charged particles in collisions with constituent nuclei of spacecraft and astronauts. The Relativistic Abrasion-Ablation and De-Excitation Fragmentation code, or RAADFRG, uses an abrasion-ablation reaction mechanism to calculate total and isotopic production cross sections of fragment species from a projectile nucleus. In this reaction mechanism, a fraction of nucleons, which sheared from the projectile nucleus during the abrasion step, coalesce to form various light ions. As with its predecessors, the Nuclear Fragmentation (NUCFRG) series, RAADFRG is being developed for implementation in NASA's deterministic High Charge (Z) and Energy radiation TRaNsport code, HZETRN. In this work, we derive the formalism used in RAADFRG to handle this process. Also, characterization of the model and its sensitivity to the coalescence radius parameterization are investigated. Work supported by NASA Grant NNX10AD18A.

  19. Ab initio Determination of Formation Energies and Charge Transfer Levels of Charged Ions in Water

    NASA Astrophysics Data System (ADS)

    Vatti, Anoop Kishore; Todorova, Mira; Neugebauer, Joerg

    The ability to describe the complex atomic and electronic structure of liquid water and hydrated ions on a microscopic level is a key requirement to understand and simulate electro-chemical and biological processes. Identifying theoretical concepts which enable us to achieve an accurate description in a computationally efficient way is thereby of central importance. Aiming to unravel the importance and influence of different contributions on the hydration energy of ions we perform extensive ab-initio molecular dynamics simulations for charged and neutral cations (Zn, Mg) and anions (Cl, Br, I) in water. The structural correlations and electronic properties of the studied ions are analysed and compared to experimental observations. Following an approach inspired by the defect chemistry in semiconductors and aligning the water band edges on an absolute scale allows us to benchmark the calculated formation energies, identify transition states and compare the results to experiment. Based on these results we discuss the performance of various DFT xc-functionals to predict charge transfer levels and photo-emission experiments.

  20. Bond patterns and charge-order amplitude in quarter-filled charge-transfer solids

    NASA Astrophysics Data System (ADS)

    Clay, R. T.; Ward, A. B.; Gomes, N.; Mazumdar, S.

    2017-03-01

    Most quasi-one-dimensional (quasi-1D) quarter-filled organic charge-transfer solids (CTS) with insulating ground states have two thermodynamic transitions: a high-temperature metal-insulator transition followed by a low-temperature magnetic transition. This sequence of transitions can be understood within the 1D Peierls-extended Hubbard (PEH) model. However, in some quasi-1D CTS both transitions occur simultaneously in a direct metal to spin-gapped insulator transition. In this second class of materials the organic stack bond distortion pattern does not follow the pattern of a second dimerization of a dimer lattice. These materials also display charge ordering of a large amplitude below the transition. Using quantum Monte Carlo methods we show that the same PEH model can be used to understand both classes of materials, however, within different parameter regions. We discuss the relevance of our work to experiments on several quarter-filled conductors, focusing in particular on the materials (EDO-TTF)2X and (DMEDO-TTF)2X .

  1. Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies

    NASA Astrophysics Data System (ADS)

    Senthilkumar, K.; Grozema, F. C.; Bickelhaupt, F. M.; Siebbeles, L. D. A.

    2003-11-01

    Values of charge transfer integrals, spatial overlap integrals and site energies involved in transport of positive charges along columnar stacked triphenylene derivatives are provided. These parameters were calculated directly as the matrix elements of the Kohn-Sham Hamiltonian, defined in terms of the molecular orbitals on individual triphenylene molecules. This was realized by exploiting the unique feature of the Amsterdam density functional theory program that allows one to use molecular orbitals on individual molecules as a basis set in calculations on a system composed of two or more molecules. The charge transfer integrals obtained in this way differ significantly from values estimated from the energy splitting between the highest occupied molecular orbitals in a dimer. The difference is due to the nonzero spatial overlap between the molecular orbitals on adjacent molecules. Calculations were performed on unsubstituted and methoxy- or methylthio-substituted triphenylenes. Charge transfer integrals and site energies were computed as a function of the twist angle, stacking distance and lateral slide distance between adjacent molecules. The variation of the charge transfer integrals and site energies with these conformational degrees of freedom provide a qualitative explanation of the similarities and differences between the experimental charge carrier mobilities in different phases of alkoxy- and alkylthio-substituted triphenylenes. The data obtained from the present work can be used as input in quantitative studies of charge transport in columnar stacked triphenylene derivatives.

  2. Differences between the internal energy depositions induced by collisional activation and by electron transfer of W(CO)62+ ions on collision with Ar and K targets

    NASA Astrophysics Data System (ADS)

    Hayakawa, Shigeo; Kitaguchi, Akihiro; Kameoka, Satoko; Toyoda, Michisato; Ichihara, Toshio

    2006-06-01

    Doubly charged tungsten hexacarbonyl W(CO )62+ ions were made to collide with Ar and K targets to give singly and doubly charged positive ions by collision-induced dissociation (CID). The resulting ions were analyzed and detected by using a spherical electrostatic analyzer. Whereas the doubly charged fragment ions resulting from collisional activation (CA) were dominant with the Ar target, singly charged fragment ions resulting from electron transfer were dominant with the K target. The internal energy deposition in collisionally activated dissociation (CAD) evaluated with the Ar target was broad and decreased with increasing internal energy. The predominant peaks observed with the K target were associated with singly charged W(CO)2+ and W(CO )3+ ions: these ions were not the result of CA, but arose from dissociation induced by electron transfer (DIET). The internal energy deposition resulting from the electron transfer was very narrow and centered at a particular energy, 7.8eV below the energy level of the W(CO )62+ ion. This narrow internal energy distribution was explained in terms of electron transfer by Landau-Zener [Z. Phys. Soviet 2, 46 (1932); Proc. R. Soc. London, Ser. A 137, 646 (1952)] potential crossing at a separation of 5.9×10-8cm between a W(CO )62+ ion and a K atom, and the coulombic repulsion between singly charged ions in the exit channel. A large cross section of 1.1×10-14cm2 was estimated for electron capture of the doubly charged W(CO )62+ ion from the alkali metal target, whose ionization energy is very low. The term "collision-induced dissociation," taken literally, includes all dissociation processes induced by collision, and therefore encompasses both CAD and DIET processes in the present work. Although the terms CID and CAD have been defined similarly, we would like to propose that they should not be used interchangeably, on the basis that there are differences in the observed ions and in their intensities with Ar and K targets.

  3. Real-time simulations of photoinduced coherent charge transfer and proton-coupled electron transfer.

    PubMed

    Eisenmayer, Thomas J; Buda, Francesco

    2014-10-20

    Photoinduced electron transfer (ET) and proton-coupled electron transfer (PCET) are fundamental processes in natural phenomena, most noticeably in photosynthesis. Time-resolved spectroscopic evidence of coherent oscillatory behavior associated with these processes has been reported both in complex biological environments, as well as in biomimetic models for artificial photosynthesis. Here, we consider a few biomimetic models to investigate these processes in real-time simulations based on ab initio molecular dynamics and Ehrenfest dynamics. This allows for a detailed analysis on how photon-to-charge conversion is promoted by a coupling of the electronic excitation with specific vibrational modes and with proton displacements. The ET process shows a characteristic coherence that is linked to the nuclear motion at the interface between donor and acceptor. We also show real-time evidence of PCET in a benzimidazole-phenol redox relay. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. The thermodynamics of charge transfer in DNA photolyase: using thermodynamic integration calculations to analyse the kinetics of electron transfer reactions.

    PubMed

    Krapf, Sebastian; Koslowski, Thorsten; Steinbrecher, Thomas

    2010-08-28

    DNA Photolyases are light sensitive oxidoreductases present in many organisms that participate in the repair of photodamaged DNA. They are capable of electron transfer between a bound cofactor and a chain of tryptophan amino acid residues. Due to their unique mechanism and important function, photolyases have been subject to intense study in recent times, with both experimental and computational efforts. In this work, we present a novel application of classical molecular dynamics based free energy calculations, combined with quantum mechanical computations, to biomolecular charge transfer. Our approach allows for the determination of all reaction parameters in Marcus' theory of charge transport. We were able to calculate the free energy profile for the movement of a positive charge along protein sidechains involved in the biomolecule's function as well as charge-transfer rates that are in good agreement with experimental results. Our approach to simulate charge-transfer reactions explicitly includes the influence of protein flexibility and solvent dynamics on charge-transfer energetics. As applied here to a biomolecular system of considerable scientific interest, we believe the method to be easily adaptable to the study of charge-transfer phenomena in biochemistry and other fields.

  5. The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures

    DOE PAGES

    Wang, Han; Bang, Junhyeok; Sun, Yiyang; ...

    2016-05-10

    Here, the success of van der Waals (vdW) heterostructures, made of graphene, metal dichalcogenides, and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that vdW heterostructues can exhibit ultra-fast charge transfer despite the weak binding of the heterostructure. Using time-dependent density functional theory molecular dynamics, we identify a strong dynamic coupling between the vdW layers associated with charge transfer. This dynamic coupling results in rapid nonlinear coherentmore » charge oscillations which constitute a purely electronic phenomenon and are shown to be a general feature of vdW heterostructures provided they have a critical minimum dipole coupling. Application to MoS2/WS2 heterostructure yields good agreement with experiment, indicating near complete charge transfer within a timescale of 100 fs.The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the

  6. The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures

    SciTech Connect

    Wang, Han; Bang, Junhyeok; Sun, Yiyang; West, Damien; Meunier, Vincent; Zhang, Shengbai; Liang, Linagbo

    2016-05-10

    Here, the success of van der Waals (vdW) heterostructures, made of graphene, metal dichalcogenides, and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that vdW heterostructues can exhibit ultra-fast charge transfer despite the weak binding of the heterostructure. Using time-dependent density functional theory molecular dynamics, we identify a strong dynamic coupling between the vdW layers associated with charge transfer. This dynamic coupling results in rapid nonlinear coherent charge oscillations which constitute a purely electronic phenomenon and are shown to be a general feature of vdW heterostructures provided they have a critical minimum dipole coupling. Application to MoS2/WS2 heterostructure yields good agreement with experiment, indicating near complete charge transfer within a timescale of 100 fs.The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the interface

  7. Transfer and redistribution of polarized light in resonance lines. I - Quantum formulation with collisions

    NASA Technical Reports Server (NTRS)

    Streater, A.; Cooper, J.; Rees, D. E.

    1988-01-01

    Equations are derived quantum mechanically for the radiative transfer of polarized light and statistical equilibrium governing the formation of resonance lines in nonhydrogenic species. Redistribution due to collisions is specifically included, but magnetic fields are neglected. The formulation accounts for excited level interference and optical pumping and is applicable to solar resonance lines such as Ca II H and K and Mg II h and k.

  8. Quantum ferroelectricity in charge-transfer complex crystals

    PubMed Central

    Horiuchi, Sachio; Kobayashi, Kensuke; Kumai, Reiji; Minami, Nao; Kagawa, Fumitaka; Tokura, Yoshinori

    2015-01-01

    Quantum phase transition achieved by fine tuning the continuous phase transition down to zero kelvin is a challenge for solid state science. Critical phenomena distinct from the effects of thermal fluctuations can materialize when the electronic, structural or magnetic long-range order is perturbed by quantum fluctuations between degenerate ground states. Here we have developed chemically pure tetrahalo-p-benzoquinones of n iodine and 4–n bromine substituents (QBr4–nIn, n=0–4) to search for ferroelectric charge-transfer complexes with tetrathiafulvalene (TTF). Among them, TTF–QBr2I2 exhibits a ferroelectric neutral–ionic phase transition, which is continuously controlled over a wide temperature range from near-zero kelvin to room temperature under hydrostatic pressure. Quantum critical behaviour is accompanied by a much larger permittivity than those of other neutral–ionic transition compounds, such as well-known ferroelectric complex of TTF–QCl4 and quantum antiferroelectric of dimethyl–TTF–QBr4. By contrast, TTF–QBr3I complex, another member of this compound family, shows complete suppression of the ferroelectric spin-Peierls-type phase transition. PMID:26076656

  9. Charge transfer in Sr Zintl template on Si(001)

    NASA Astrophysics Data System (ADS)

    Choi, Miri; Posadas, Agham B.; Seo, Hosung; Hatch, Richard C.; Demkov, Alexander A.

    2013-01-01

    The formation of the half monolayer (ML) Sr Zintl template layer on Si(001) is investigated in a combined experimental and theoretical work consisting of in situ reflection high energy electron diffraction, in situ x-ray photoelectron spectroscopy (XPS), and density functional theory. Starting with clean 2 × 1 reconstructed Si(001), we demonstrate that Sr deposition leads to a charge transfer from the metal to the Si substrate resulting in the disappearance of the asymmetry of Si dimers—an essential structural change that enables direct perovskite epitaxy on Si, and likely, other semiconductors. XPS reveals an unexpected shift to higher binding energy of the Si 2p core-level components, including the bulk. This unusual behavior is attributed to final state effects using first principles calculations. As measured by ultraviolet photoelectron spectroscopy, the deposition of 0.5 ML of Sr lowers the work function of the system by 1.35 eV, and is in good agreement with our theoretical calculations.

  10. Intramolecular charge transfer effects on 3-aminobenzoic acid

    NASA Astrophysics Data System (ADS)

    Stalin, T.; Rajendiran, N.

    2006-03-01

    Effect of solvents, buffer solutions of different pH and β-cyclodextrin on the absorption and fluorescence spectra of 3-aminobenzoic acid (3ABA) have been investigated. The solid inclusion complex of 3ABA with β-CD is discussed by UV-Vis, fluorimetry, semiempirical quantum calculations (AM1), FT-IR, 1H NMR and Scanning Electron Microscope (SEM). The thermodynamic parameters (Δ H, Δ G and Δ S) of the inclusion process are also determined. The experimental results indicated that the inclusion processes is an exothermic and spontaneous. The large Stokes shift emission in solvents with 3ABA are correlated with different solvent polarity scales suggest that, 3ABA molecule is more polar in the S 1 state. Solvent, β-CD studies and excited state dipole moment values confirms that the presence of intramolecular charge transfer (ICT) in 3ABA. Acidity constants for different prototropic equilibria of 3ABA in the S 0 and S 1 states are calculated. β-Cyclodextrin studies shows that 3ABA forms a 1:1 inclusion complex with β-CD. β-CD studies suggest COOH group present in non-polar part and amino group present in hydrophilic part of the β-CD cavity. A mechanism is proposed to explain the inclusion process.

  11. Identifying interfacial charge transfer states in organic heterostructures (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Arndt, Andreas P.; Gerhard, Marina; Howard, Ian A.; Koch, Martin; Lemmer, Ulrich

    2016-09-01

    Charge transfer (CT) states play evidently an important role at the interface of organic heterostructures but their identification and characterization is often experimentally less obvious and challenging. We studied two exemplary material systems which both represented a benchmark within the research of organic photovoltaics at their time: the homopolymer P3HT blended with PC61BM and the copolymer PTB7 blended with PC71BM. In both heterostructures, we could identify a distinct CT state emission by the use of NIR time-resolved photoluminescence (PL) [1], [2]. The selectivity of this technique enables us to clearly probe the energetics and dynamics of weak emitting interfacial states and therefore to prove differences in the CT state characteristics between the two systems. We went beyond this previous work and investigated the time and temperature dependent emission anisotropy as well as the electric field dependence of the time-resolved PL for both blends and the pristine polymers, respectively. In both cases the CT state emission clearly deviates from the one of the primarily excited singlet excitons: the emission anisotropy reveals an additional relaxation pathway for the exciton which is connected with a change of the transition dipole moment of the emission, and under applied bias different quenching thresholds can give access to varying binding energies of the emissive excitons involved. Finally, we think that our findings demonstrate how interfacial CT state emission can be clearly identified as such and how it can be unambiguously distinguished from singlet exciton emission.

  12. Dynamic Peptide Library for the Discovery of Charge Transfer Hydrogels.

    PubMed

    Berdugo, Cristina; Nalluri, Siva Krishna Mohan; Javid, Nadeem; Escuder, Beatriu; Miravet, Juan F; Ulijn, Rein V

    2015-11-25

    Coupling of peptide self-assembly to dynamic sequence exchange provides a useful approach for the discovery of self-assembling materials. In here, we demonstrate the discovery and optimization of aqueous, gel-phase nanostructures based on dynamically exchanging peptide sequences that self-select to maximize charge transfer of n-type semiconducting naphthalenediimide (NDI)-dipeptide bioconjugates with various π-electron-rich donors (dialkoxy/hydroxy/amino-naphthalene or pyrene derivatives). These gel-phase peptide libraries are characterized by spectroscopy (UV-vis and fluorescence), microscopy (TEM), HPLC, and oscillatory rheology and it is found that, of the various peptide sequences explored (tyrosine Y-NDI with tyrosine Y, phenylalanine F, leucine L, valine V, alanine A or glycine G-NH2), the optimum sequence is tyrosine-phenylalanine in each case; however, both its absolute and relative yield amplification is dictated by the properties of the donor component, indicating cooperativity of peptide sequence and donor/acceptor pairs in assembly. The methodology provides an in situ discovery tool for nanostructures that enable dynamic interfacing of supramolecular electronics with aqueous (biological) systems.

  13. Charge transfer vibronic transitions in uranyl tetrachloride compounds;

    SciTech Connect

    Liu, G. K.; Deifel, N. P.; Cahill, C. L.

    2012-01-01

    The electronic and vibronic interactions of uranyl (UO{sub 2}){sup 2+} in three tetrachloride crystals have been investigated with spectroscopic experiments and theoretical modeling. Analysis and simulation of the absorption and photoluminescence spectra have resulted in a quantitative understanding of the charge transfer vibronic transitions of uranyl in the crystals. The spectra obtained at liquid helium temperature consist of extremely narrow zero-phonon lines (ZPL) and vibronic bands. The observed ZPLs are assigned to the first group of the excited states formed by electronic excitation from the 3{sigma} ground state into the f{sub {delta}{phi}}, orbitals of uranyl. The Huang-Rhys theory of vibronic coupling is modified successfully for simulating both the absorption and luminescence spectra. It is shown that only vibronic coupling to the axially symmetric stretching mode is Franck-Condon allowed, whereas other modes are involved through coupling with the symmetric stretching mode. The energies of electronic transitions, vibration frequencies of various local modes, and changes in the O=U=O bond length of uranyl in different electronic states and in different coordination geometries are evaluated in empirical simulations of the optical spectra. Multiple uranyl sites derived from the resolution of a superlattice at low temperature are resolved by crystallographic characterization and time- and energy-resolved spectroscopic studies. The present empirical simulation provides insights into fundamental understanding of uranyl electronic interactions and is useful for quantitative characterization of uranyl coordination.

  14. Charge transfer vibronic transitions in uranyl tetrachloride compounds

    SciTech Connect

    Liu, Guokui; Deifel, Nicholas P.; Cahill, Christopher L.; Zhurov, Vladimir V.; Pinkerton, A. Alan

    2012-01-01

    The electronic and vibronic interactions of uranyl (UO₂)2+ in three tetrachloride crystals have been investigated with spectroscopic experiments and theoretical modeling. Analysis and simulation of the absorption and photoluminescence spectra have resulted in a quantitative understanding of the charge transfer vibronic transitions of uranyl in the crystals. The spectra obtained at liquid helium temperature consist of extremely narrow zero-phonon lines (ZPL) and vibronic bands. The observed ZPLs are assigned to the first group of the excited states formed by electronic excitation from the 3σ ground state into the fδ,Φ orbitals of uranyl. The Huang–Rhys theory of vibronic coupling is modified successfully for simulating both the absorption and luminescence spectra. It is shown that only vibronic coupling to the axially symmetric stretching mode is Franck–Condon allowed, whereas other modes are involved through coupling with the symmetric stretching mode. The energies of electronic transitions, vibration frequencies of various local modes, and changes in the O=U=O bond length of uranyl in different electronic states and in different coordination geometries are evaluated in empirical simulations of the optical spectra. Multiple uranyl sites derived from the resolution of a superlattice at low temperature are resolved by crystallographic characterization and time- and energy-resolved spectroscopic studies. The present empirical simulation provides insights into fundamental understanding of uranyl electronic interactions and is useful for quantitative characterization of uranyl coordination.

  15. Positron annihilation studies of some charge transfer molecular complexes

    NASA Astrophysics Data System (ADS)

    El-Sayed, A. M. A.; Mohamed, Hamdy F. M.; Boraei, Anmed A. A.

    2000-06-01

    Positron annihilation lifetimes were measured for some solid charge transfer (CT) molecular complexes of quinoline compounds (2,6-dimethylquinoline, 6-methoxyquinoline, quinoline, 6-methylquinoline, 3-bromoquinoline and 2-chloro-4-methylquinoline) as electron donor and picric acid as an electron acceptor. The infrared spectra (IR) of the solid complexes clearly indicated the formation of the hydrogen-bonding CT-complexes. The annihilation spectra were analyzed into two lifetime components using PATFIT program. The values of the average and bulk lifetimes divide the complexes into two groups according to the non-bonding ionization potential of the donor (electron donating power) and the molecular weight of the complexes. Also, it is found that the ionization potential of the donors and molecular weight of the complexes have a conspicuous effect on the average and bulk lifetime values. The bulk lifetime values of the complexes are consistent with the formation of stable hydrogen-bonding CT-complexes as inferred from the IR-spectral data.

  16. Satellite lines at the ionization threshold in charge transfer systems

    NASA Astrophysics Data System (ADS)

    Wardermann, W.; von Niessen, W.

    1992-01-01

    This article deals with the possibility of low-energy ionizations of reduced intensity for larger organic molecules. Possible mechanisms which may lead to this phenomenon are outlined and the necessary structural features are discussed. The lowest ionization energies of some organic unsaturated nitro and nitroso compounds are calculated by the ADC(3) ab initio many-body Green's function method. The π-electron system consists either of fused five- and six-membered rings or of two fused five-membered rings with a variable number of heteroatoms. Some of the molecules contain exocylic double bonds and some are substituted with the donor groups -NH 2, -OH and -NHOH. The strongest many-body effects are found for the nitroso compounds, where in one case the spectral line at the ionization threshold has lost more than 40% of its intensity to satellites. We study the many-body effects at or close to the ionization threshold for these compounds. A particular mechanism which involves the screening of localized valence holes by charge transfer excitations appears to be capable of influencing the profile and intensities of the ionization spectrum already at the ionization threshold. The effect leads to strongly reduced relative intensities of the bands and may cause the appearance of satellite bands nearly at the ionization threshold. The spectral changes in the outermost valence region are discussed by using a simple model calculation in terms of ground-state electronic properties of the molecules.

  17. Quantum ferroelectricity in charge-transfer complex crystals

    NASA Astrophysics Data System (ADS)

    Horiuchi, Sachio; Kobayashi, Kensuke; Kumai, Reiji; Minami, Nao; Kagawa, Fumitaka; Tokura, Yoshinori

    2015-06-01

    Quantum phase transition achieved by fine tuning the continuous phase transition down to zero kelvin is a challenge for solid state science. Critical phenomena distinct from the effects of thermal fluctuations can materialize when the electronic, structural or magnetic long-range order is perturbed by quantum fluctuations between degenerate ground states. Here we have developed chemically pure tetrahalo-p-benzoquinones of n iodine and 4-n bromine substituents (QBr4-nIn, n=0-4) to search for ferroelectric charge-transfer complexes with tetrathiafulvalene (TTF). Among them, TTF-QBr2I2 exhibits a ferroelectric neutral-ionic phase transition, which is continuously controlled over a wide temperature range from near-zero kelvin to room temperature under hydrostatic pressure. Quantum critical behaviour is accompanied by a much larger permittivity than those of other neutral-ionic transition compounds, such as well-known ferroelectric complex of TTF-QCl4 and quantum antiferroelectric of dimethyl-TTF-QBr4. By contrast, TTF-QBr3I complex, another member of this compound family, shows complete suppression of the ferroelectric spin-Peierls-type phase transition.

  18. Quantifying the intrinsic surface charge density and charge-transfer resistance of the graphene-solution interface through bias-free low-level charge measurement

    NASA Astrophysics Data System (ADS)

    Ping, Jinglei; Johnson, A. T. Charlie

    2016-07-01

    Liquid-based bio-applications of graphene require a quantitative understanding of the graphene-liquid interface, with the surface charge density of adsorbed ions, the interfacial charge transfer resistance, and the interfacial charge noise being of particular importance. We quantified these properties through measurements of the zero-bias Faradaic charge-transfer between graphene electrodes and aqueous solutions of varying ionic strength using a reproducible, low-noise, minimally perturbative charge measurement technique. The measurements indicated that the adsorbed ions had a negative surface charge density of approximately -32.8 mC m-2 and that the specific charge transfer resistance was 6.5 ± 0.3 MΩ cm2. The normalized current noise power spectral density for all ionic concentrations tested collapsed onto a 1/fα characteristic with α = 1.1 ± 0.2. All the results are in excellent agreement with predictions of the theory for the graphene-solution interface. This minimally perturbative method for monitoring charge-transfer at the sub-pC scale exhibits low noise and ultra-low power consumption (˜fW), making it suitable for use in low-level bioelectronics in liquid environments.

  19. Magnetically coupled resonance wireless charging technology principles and transfer mechanisms

    NASA Astrophysics Data System (ADS)

    Zhou, Jiehua; Wan, Jian; Ma, Yinping

    2017-05-01

    With the tenure of Electric-Vehicle rising around the world, the charging methods have been paid more and more attention, the current charging mode mainly has the charging posts and battery swapping station. The construction of the charging pile or battery swapping station not only require lots of manpower, material costs but the bare conductor is also easy to generate electric spark hidden safety problems, still occupies large space. Compared with the wired charging, wireless charging mode is flexible, unlimited space and location factors and charging for vehicle safety and quickly. It complements the traditional charging methods in adaptability and the independent charge deficiencies. So the researching the wireless charging system have an important practical significance and application value. In this paper, wireless charging system designed is divided into three parts: the primary side, secondary side and resonant coupling. The main function of the primary side is to generate high-frequency alternating current, so selecting CLASS-E amplifier inverter structure through the research on full bridge, half-bridge and power amplification circuit. Addition, the wireless charging system is susceptible to outside interference, frequency drift phenomenon. Combined with the wireless energy transmission characteristics, resonant parts adopt resonant coupling energy transmission scheme and the Series-Series coupling compensation structure. For the electric vehicle charging power and voltage requirements, the main circuit is a full bridge inverter and Boost circuit used as the secondary side.

  20. Rotational energy transfer in collisions between CO and Ar at temperatures from 293 to 30 K

    NASA Astrophysics Data System (ADS)

    Mertens, Laura A.; Labiad, Hamza; Denis-Alpizar, Otoniel; Fournier, Martin; Carty, David; Le Picard, Sébastien D.; Stoecklin, Thierry; Sims, Ian R.

    2017-09-01

    Experimental measurements and theoretical calculations are reported for rotational energy transfer in the Ar-CO system. Experiments were performed in cold uniform supersonic flows of Ar, using an infrared - vacuum ultraviolet double resonance technique to measure absolute state-to-state rate constants and total relaxation cross sections for rotational energy transfer within the (v = 2) vibrational state of CO in collision with Ar at temperatures from 30.5 to 293 K. Close-coupling calculations were also performed using a recent potential energy surface (Sumiyoshi and Endo, 2015). Very good agreement is obtained between measured and calculated values.

  1. ARCHITECTURE OF A CHARGE-TRANSFER STATE REGULATING LIGHT HARVESTING IN A PLANT ANTENNA PROTEIN

    SciTech Connect

    Fleming, Graham; Ahn, Tae Kyu; Avenson, Thomas J.; Ballottari, Matteo; Cheng, Yuan-Chung; Niyogi, Krishna K.; Bassi, Roberto; Fleming, Graham R.

    2008-04-02

    Energy-dependent quenching of excess absorbed light energy (qE) is a vital mechanism for regulating photosynthetic light harvesting in higher plants. All of the physiological characteristics of qE have been positively correlated with charge-transfer between coupled chlorophyll and zeaxanthin molecules in the light-harvesting antenna of photosystem II (PSII). In this work, we present evidence for charge-transfer quenching in all three of the individual minor antenna complexes of PSII (CP29, CP26, and CP24), and we conclude that charge-transfer quenching in CP29 involves a de-localized state of an excitonically coupled chlorophyll dimer. We propose that reversible conformational changes in CP29 can `tune? the electronic coupling between the chlorophylls in this dimer, thereby modulating the energy of the chlorophylls-zeaxanthin charge-transfer state and switching on and off the charge-transfer quenching during qE.

  2. Crystal growth of new charge-transfer salts based on π-conjugated donor molecules

    NASA Astrophysics Data System (ADS)

    Morherr, Antonia; Witt, Sebastian; Chernenkaya, Alisa; Bäcker, Jan-Peter; Schönhense, Gerd; Bolte, Michael; Krellner, Cornelius

    2016-09-01

    New charge transfer crystals of π-conjugated, aromatic molecules (phenanthrene and picene) as donors were obtained by physical vapor transport. The melting behavior, optimization of crystal growth and the crystal structure are reported for charge transfer salts with (fluorinated) tetracyanoquinodimethane (TCNQ-Fx, x=0, 2, 4), which was used as acceptor material. The crystal structures were determined by single-crystal X-ray diffraction. Growth conditions for different vapor pressures in closed ampules were applied and the effect of these starting conditions for crystal size and quality is reported. The process of charge transfer was investigated by geometrical analysis of the crystal structure and by infrared spectroscopy on single crystals. With these three different acceptor strengths and the two sets of donor materials, it is possible to investigate the distribution of the charge transfer systematically. This helps to understand the charge transfer process in this class of materials with π-conjugated donor molecules.

  3. The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures.

    PubMed

    Wang, Han; Bang, Junhyeok; Sun, Yiyang; Liang, Liangbo; West, Damien; Meunier, Vincent; Zhang, Shengbai

    2016-05-10

    The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the interface. Application to the MoS2/WS2 heterostructure yields good agreement with experiments, indicating near complete charge transfer within a timescale of 100 fs.

  4. The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures

    PubMed Central

    Wang, Han; Bang, Junhyeok; Sun, Yiyang; Liang, Liangbo; West, Damien; Meunier, Vincent; Zhang, Shengbai

    2016-01-01

    The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the interface. Application to the MoS2/WS2 heterostructure yields good agreement with experiments, indicating near complete charge transfer within a timescale of 100 fs. PMID:27160484

  5. Kinetic theory of current and density drift instabilities with weak charged-neutral collisions. [in space plasmas

    NASA Technical Reports Server (NTRS)

    Gary, S. P.

    1984-01-01

    This paper describes the linear kinetic theory of electrostatic instabilities driven by a density gradient drift and a magnetic-field-aligned current in a plasma with weak charged neutral collisions. The configuration is that of a uniform magnetic field B, a weak, uniform density gradient in the x direction and a weak, uniform electric field in the z direction. Collisions are represented by the BGK model. The transition from the (kinetic) universal density drift instability to the (fluidlike) current convective instability is studied in detail, and the short wavelength properties of the latter mode are investigated.

  6. Azimuthal anisotropy of charged particles from multiparticle correlations in pPb and PbPb collisions with CMS

    NASA Astrophysics Data System (ADS)

    Wang, Quan

    2014-11-01

    Motivated by two- and four-particle azimuthal correlation measurements that suggest possible collective flow for charged particles emitted in pPb collisions at √{sNN} = 5.02 TeV, we extend the correlation results for these collisions using the six- and eight-particle cumulant methods, and the Lee-Yang Zeros method. CMS has an extensive program studying azimuthal harmonic coefficients for both PbPb and pPb collisions using various methods. The current pPb results will be presented in this context. The data were collected by the CMS experiment at the LHC using both minimum bias and high-multiplicity collision triggers over a wide range in pseudorapidity. The results are compared to 2.76 TeV semi-peripheral PbPb collision data collected in 2011 covering a similar range of particle multiplicities. The second-order azimuthal anisotropy Fourier harmonic (v2) is shown for the different methods. A comparison of the six- and greater particle correlations to the previously published two- and four-particle correlation results sheds light on the multiparticle nature of the azimuthal anisotropy. The results are also discussed in terms of recent calculations that explore the role of participant fluctuations on measurements of higher-order particle correlations in pPb collisions.

  7. Switching of the fluorescence emission of single molecules between the locally excited and charge transfer states

    NASA Astrophysics Data System (ADS)

    Angeles Izquierdo, M.; Bell, Toby D. M.; Habuchi, Satoshi; Fron, Eduard; Pilot, Roberto; Vosch, Tom; De Feyter, Steven; Verhoeven, Jan; Jacob, Josemon; Müllen, Klaus; Hofkens, Johan; De Schryver, Frans C.

    2005-01-01

    A novel perylene imide and oligo-pentaphenyl bisfluorene containing molecule is shown to undergo electron transfer to form an emissive charge transfer state in di-benzyl ether and THF. At the single molecule level in a PMMA film, fluorescence spectra characteristic of both emissive states (locally excited and charge transfer) are observed with 44% of the molecules studied showing switching between the two states. These results demonstrate that charge transfer fluorescence from single molecules can be used to report on the properties and dynamics of a molecule's immediate surroundings or nano-environment.

  8. 46 CFR 35.35-35 - Duties of person in charge of transfer-TB/ALL.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 1 2013-10-01 2013-10-01 false Duties of person in charge of transfer-TB/ALL. 35.35-35 Section 35.35-35 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS OPERATIONS Cargo Handling § 35.35-35 Duties of person in charge of transfer—TB/ALL. The person in charge of the transfer of...

  9. 46 CFR 35.35-35 - Duties of person in charge of transfer-TB/ALL.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 1 2011-10-01 2011-10-01 false Duties of person in charge of transfer-TB/ALL. 35.35-35 Section 35.35-35 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS OPERATIONS Cargo Handling § 35.35-35 Duties of person in charge of transfer—TB/ALL. The person in charge of the transfer of...

  10. 46 CFR 35.35-35 - Duties of person in charge of transfer-TB/ALL.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 1 2010-10-01 2010-10-01 false Duties of person in charge of transfer-TB/ALL. 35.35-35 Section 35.35-35 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS OPERATIONS Cargo Handling § 35.35-35 Duties of person in charge of transfer—TB/ALL. The person in charge of the transfer of...

  11. 46 CFR 35.35-35 - Duties of person in charge of transfer-TB/ALL.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 1 2012-10-01 2012-10-01 false Duties of person in charge of transfer-TB/ALL. 35.35-35 Section 35.35-35 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS OPERATIONS Cargo Handling § 35.35-35 Duties of person in charge of transfer—TB/ALL. The person in charge of the transfer of...

  12. 46 CFR 35.35-35 - Duties of person in charge of transfer-TB/ALL.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 1 2014-10-01 2014-10-01 false Duties of person in charge of transfer-TB/ALL. 35.35-35 Section 35.35-35 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS OPERATIONS Cargo Handling § 35.35-35 Duties of person in charge of transfer—TB/ALL. The person in charge of the transfer of...

  13. Vibrationally enhanced charge transfer and mode/bond-specific H{sup +} and D{sup +} transfer in the reaction of HOD{sup +} with N{sub 2}O

    SciTech Connect

    Bell, David M.; Anderson, Scott L.

    2013-09-21

    The reaction of HOD{sup +} with N{sub 2}O was studied over the collision energy (E{sub col}) range from 0.20 eV to 2.88 eV, for HOD{sup +} in its ground state and in each of its fundamental vibrational states: bend (010), OD stretch (100), and OH stretch (001). The dominant reaction at low E{sub col} is H{sup +} and D{sup +} transfer, but charge transfer becomes dominant for E{sub col} > 0.5 eV. Increasing E{sub col} enhances charge transfer only in the threshold region (E{sub col} < 1 eV), but all modes of HOD{sup +} vibrational excitation enhance this channel over the entire energy range, by up to a factor of three. For reaction of ground state HOD{sup +}, the H{sup +} and D{sup +} transfer channels have similar cross sections, enhanced by increasing collision energy for E{sub col} < 0.3 eV, but suppressed by E{sub col} at higher energies. OD stretch excitation enhances D{sup +} transfer by over a factor of 2, but has little effect on H{sup +} transfer, except at low E{sub col} where a modest enhancement is observed. Excitation of the OH stretch enhances H{sup +} transfer by up to a factor of 2.5, but actually suppresses D{sup +} transfer over most of the E{sub col} range. Excitation of the bend mode results in ∼60% enhancement of both H{sup +} and D{sup +} transfer at low E{sub col} but has little effect at higher energies. Recoil velocity distributions at high E{sub col} are strongly backscattered in the center-of-mass frame, indicating direct reaction dominated by large impact parameter collisions. At low E{sub col} the distributions are compatible with mediation by a short-lived collision complex. Ab initio calculations find several complexes that may be important in this context, and RRKM calculations predict lifetimes and decay branching that is consistent with observations. The recoil velocity distributions show that HOD{sup +} vibrational excitation enhances reactivity in all collisions at low E{sub col}, while for high E{sub col} with enhancement comes

  14. Centrality Dependence of the Charged-Particle Multiplicity Density at Midrapidity in Pb-Pb Collisions at {radical}(s{sub NN})=2.76 TeV

    SciTech Connect

    Aamodt, K.; Djuvsland, O.; Fehlker, D.; Haaland, O.; Huang, M.; Kanaki, K.; Klovning, A.; Larsen, D. T.; Liu, L.; Nystrand, J.; Ovrebekk, G.; Richter, M.; Roehrich, D.; Skjerdal, K.; Szostak, A.; Ullaland, K.; Wagner, B.; Abrahantes Quintana, A.; Lopez Torres, E.; Shtejer, K.

    2011-01-21

    The centrality dependence of the charged-particle multiplicity density at midrapidity in Pb-Pb collisions at {radical}(s{sub NN})=2.76 TeV is presented. The charged-particle density normalized per participating nucleon pair increases by about a factor of 2 from peripheral (70%-80%) to central (0%-5%) collisions. The centrality dependence is found to be similar to that observed at lower collision energies. The data are compared with models based on different mechanisms for particle production in nuclear collisions.

  15. Centrality Dependence of the Charged-Particle Multiplicity Density at Midrapidity in Pb-Pb Collisions at sNN=2.76TeV

    NASA Astrophysics Data System (ADS)

    Aamodt, K.; Abrahantes Quintana, A.; Adamová, D.; Adare, A. M.; Aggarwal, M. M.; Aglieri Rinella, G.; Agocs, A. G.; Aguilar Salazar, S.; Ahammed, Z.; Ahmad, N.; Ahmad Masoodi, A.; Ahn, S. U.; Akindinov, A.; Aleksandrov, D.; Alessandro, B.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Almaráz Aviña, E.; Alt, T.; Altini, V.; Altinpinar, S.; Altsybeev, I.; Andrei, C.; Andronic, A.; Anguelov, V.; Anson, C.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arbor, N.; Arcelli, S.; Arend, A.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Asryan, A.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Äystö, J.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldini Ferroli, R.; Baldisseri, A.; Baldit, A.; Bán, J.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartke, J.; Basile, M.; Bastid, N.; Bathen, B.; Batigne, G.; Batyunya, B.; Baumann, C.; Bearden, I. G.; Beck, H.; Belikov, I.; Bellini, F.; Bellwied, R.; Belmont-Moreno, E.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdermann, E.; Berdnikov, Y.; Betev, L.; Bhasin, A.; Bhati, A. K.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biolcati, E.; Blanc, A.; Blanco, F.; Blanco, F.; Blau, D.; Blume, C.; Boccioli, M.; Bock, N.; Bogdanov, A.; Bøggild, H.; Bogolyubsky, M.; Boldizsár, L.; Bombara, M.; Bombonati, C.; Book, J.; Borel, H.; Bortolin, C.; Bose, S.; Bossú, F.; Botje, M.; Böttger, S.; Boyer, B.; Braun-Munzinger, P.; Bravina, L.; Bregant, M.; Breitner, T.; Broz, M.; Brun, R.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Busch, O.; Buthelezi, Z.; Caffarri, D.; Cai, X.; Caines, H.; Calvo Villar, E.; Camerini, P.; Canoa Roman, V.; Cara Romeo, G.; Carena, F.; Carena, W.; Carminati, F.; Casanova Díaz, A.; Caselle, M.; Castillo Castellanos, J.; Catanescu, V.; Cavicchioli, C.; Cerello, P.; Chang, B.; Chapeland, S.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chiavassa, E.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Chojnacki, M.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Coccetti, F.; Coffin, J.-P.; Coli, S.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Constantin, P.; Contin, G.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Cotallo, M. E.; Crescio, E.; Crochet, P.; Cuautle, E.; Cunqueiro, L.; Erasmo, G. D.; Dainese, A.; Dalsgaard, H. H.; Danu, A.; Das, D.; Das, I.; Dash, A.; Dash, S.; de, S.; de Azevedo Moregula, A.; de Barros, G. O. V.; de Caro, A.; de Cataldo, G.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; de Marco, N.; de Pasquale, S.; de Remigis, R.; de Rooij, R.; Delagrange, H.; Delgado Mercado, Y.; Dellacasa, G.; Deloff, A.; Demanov, V.; Dénes, E.; Deppman, A.; di Bari, D.; di Giglio, C.; di Liberto, S.; di Mauro, A.; di Nezza, P.; Dietel, T.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domínguez, I.; Dönigus, B.; Dordic, O.; Driga, O.; Dubey, A. K.; Ducroux, L.; Dupieux, P.; Dutta Majumdar, A. K.; Dutta Majumdar, M. R.; Elia, D.; Emschermann, D.; Engel, H.; Erdal, H. A.; Espagnon, B.; Estienne, M.; Esumi, S.; Evans, D.; Evrard, S.; Eyyubova, G.; Fabjan, C. W.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fearick, R.; Fedunov, A.; Fehlker, D.; Fekete, V.; Felea, D.; Feofilov, G.; Fernández Téllez, A.; Ferretti, A.; Ferretti, R.; Figueredo, M. A. S.; Filchagin, S.; Fini, R.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Fragkiadakis, M.; Frankenfeld, U.; Fuchs, U.; Furano, F.; Furget, C.; Fusco Girard, M.; Gaardhøje, J. J.; Gadrat, S.; Gagliardi, M.; Gago, A.; Gallio, M.; Ganoti, P.; Garabatos, C.; Gemme, R.; Gerhard, J.; Germain, M.; Geuna, C.; Gheata, A.; Gheata, M.; Ghidini, B.; Ghosh, P.; Girard, M. R.; Giraudo, G.; Giubellino, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez, R.; González-Trueba, L. H.; González-Zamora, P.; González Santos, H.; Gorbunov, S.; Gotovac, S.; Grabski, V.; Grajcarek, R.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Gros, P.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerra Gutierrez, C.; Guerzoni, B.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Gutbrod, H.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Harris, J. W.; Hartig, M.; Hasch, D.; Hasegan, D.; Hatzifotiadou, D.; Hayrapetyan, A.; Heide, M.; Heinz, M.; Helstrup, H.; Herghelegiu, A.; Hernández, C.; Herrera Corral, G.; Herrmann, N.; Hetland, K. F.; Hicks, B.; Hille, P. T.; Hippolyte, B.; Horaguchi, T.; Hori, Y.; Hristov, P.; Hřivnáčová, I.; Huang, M.; Huber, S.; Humanic, T. J.; Hwang, D. S.; Ichou, R.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Incani, E.; Innocenti, G. M.; Innocenti, P. G.; Ippolitov, M.; Irfan, M.; Ivan, C.; Ivanov, A.; Ivanov, M.; Ivanov, V.; Jachołkowski, A.; Jacobs, P. M.; Jancurová, L.; Jangal, S.; Janik, R.; Jayarathna, S. P.; Jena, S.; Jirden, L.; Jones, G. T.; Jones, P. G.; Jovanović, P.; Jung, H.; Jung, W.; Jusko, A.; Kalcher, S.; Kaliňák, P.; Kalisky, M.; Kalliokoski, T.; Kalweit, A.; Kamermans, R.; Kanaki, K.; Kang, E.; Kang, J. H.; Kaplin, V.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kazantsev, A.; Kebschull, U.; Keidel, R.; Khan, M. M.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, D. J.; Kim, D. S.; Kim, D. W.; Kim, H. N.; Kim, J. H.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, S. H.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Klay, J. L.; Klein, J.; Klein-Bösing, C.; Kliemant, M.; Klovning, A.; Kluge, A.; Knichel, M. L.; Koch, K.; Köhler, M. K.; Kolevatov, R.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Konevskih, A.; Kornaś, E.; Kottachchi Kankanamge Don, C.; Kour, R.; Kowalski, M.; Kox, S.; Koyithatta Meethaleveedu, G.; Kozlov, K.; Kral, J.; Králik, I.; Kramer, F.; Kraus, I.; Krawutschke, T.; Kretz, M.; Krivda, M.; Krumbhorn, D.; Krus, M.; Kryshen, E.; Krzewicki, M.; Kucheriaev, Y.; Kuhn, C.; Kuijer, P. G.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kushpil, V.; Kweon, M. J.; Kwon, Y.; La Rocca, P.; Ladrón de Guevara, P.; Lafage, V.; Lara, C.; Larsen, D. T.; Lazzeroni, C.; Le Bornec, Y.; Lea, R.; Lee, K. S.; Lee, S. C.; Lefèvre, F.; Lehnert, J.; Leistam, L.; Lenhardt, M.; Lenti, V.; León Monzón, I.; León Vargas, H.; Lévai, P.; Li, X.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Liu, L.; Loggins, V. R.; Loginov, V.; Lohn, S.; Lohner, D.; Loizides, C.; Lopez, X.; López Noriega, M.; López Torres, E.; Løvhøiden, G.; Lu, X.-G.; Luettig, P.; Lunardon, M.; Luparello, G.; Luquin, L.; Luzzi, C.; Ma, K.; Ma, R.; Madagodahettige-Don, D. M.; Maevskaya, A.; Mager, M.; Mahapatra, D. P.; Maire, A.; Malaev, M.; Maldonado Cervantes, I.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Mangotra, L.; Manko, V.; Manso, F.; Manzari, V.; Mao, Y.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Marín, A.; Martashvili, I.; Martinengo, P.; Martínez, M. I.; Martínez Davalos, A.; Martínez García, G.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastromarco, M.; Mastroserio, A.; Matthews, Z. L.; Matyja, A.; Mayani, D.; Mazza, G.; Mazzoni, M. A.; Meddi, F.; Menchaca-Rocha, A.; Mendez Lorenzo, P.; Mercado Pérez, J.; Mereu, P.; Miake, Y.; Midori, J.; Milano, L.; Milosevic, J.; Mischke, A.; Miśkowiec, D.; Mitu, C.; Mlynarz, J.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Monteno, M.; Montes, E.; Morando, M.; Moreira de Godoy, D. A.; Moretto, S.; Morsch, A.; Muccifora, V.; Mudnic, E.; Müller, H.; Muhuri, S.; Munhoz, M. G.; Munoz, J.; Musa, L.; Musso, A.; Nandi, B. K.; Nania, R.; Nappi, E.; Nattrass, C.; Navach, F.; Navin, S.; Nayak, T. K.; Nazarenko, S.; Nazarov, G.; Nedosekin, A.; Nendaz, F.; Newby, J.; Nicassio, M.; Nielsen, B. S.; Nikolaev, S.; Nikolic, V.; Nikulin, S.; Nikulin, V.; Nilsen, B. S.; Nilsson, M. S.; Noferini, F.; Nooren, G.; Novitzky, N.; Nyanin, A.; Nyatha, A.; Nygaard, C.; Nystrand, J.; Obayashi, H.; Ochirov, A.; Oeschler, H.; Oh, S. K.; Oleniacz, J.; Oppedisano, C.; Ortiz Velasquez, A.; Ortona, G.; Oskarsson, A.; Ostrowski, P.; Otterlund, I.; Otwinowski, J.; Øvrebekk, G.; Oyama, K.; Ozawa, K.; Pachmayer, Y.; Pachr, M.; Padilla, F.; Pagano, P.; Paić, G.; Painke, F.; Pajares, C.; Pal, S.; Pal, S. K.; Palaha, A.; Palmeri, A.; Pappalardo, G. S.; Park, W. J.; Paticchio, V.; Pavlinov, A.; Pawlak, T.; Peitzmann, T.; Peresunko, D.; Pérez Lara, C. E.; Perini, D.; Perrino, D.; Peryt, W.; Pesci, A.; Peskov, V.; Pestov, Y.; Peters, A. J.; Petráček, V.; Petris, M.; Petrov, P.; Petrovici, M.; Petta, C.; Piano, S.; Piccotti, A.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Pitz, N.; Piuz, F.; Piyarathna, D. B.; Platt, R.; Płoskoń, M.; Pluta, J.; Pocheptsov, T.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polák, K.; Polichtchouk, B.; Pop, A.; Pospíšil, V.; Potukuchi, B.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puddu, G.; Pulvirenti, A.; Punin, V.; Putiš, M.; Putschke, J.; Quercigh, E.; Qvigstad, H.; Rachevski, A.; Rademakers, A.; Rademakers, O.; Radomski, S.; Räihä, T. S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Ramírez Reyes, A.; Rammler, M.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Read, K. F.; Real, J. S.; Redlich, K.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Ricaud, H.; Riccati, L.; Ricci, R. A.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Rivetti, A.; Rodríguez Cahuantzi, M.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Rosinský, P.; Rosnet, P.; Rossegger, S.; Rossi, A.; Roukoutakis, F.; Rousseau, S.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Rusanov, I.; Ryabinkin, E.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahoo, R.; Sahu, P. K.; Saiz, P.; Sakai, S.; Sakata, D.; Salgado, C. A.; Samanta, T.; Sambyal, S.; Samsonov, V.; Šándor, L.; Sandoval, A.; Sano, M.; Sano, S.; Santo, R.; Santoro, R.; Sarkamo, J.; Saturnini, P.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schreiner, S.; Schuchmann, S.; Schukraft, J.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, P. A.; Scott, R.; Segato, G.; Senyukov, S.; Seo, J.; Serci, S.; Serradilla, E.; Sevcenco, A.; Shabratova, G.; Shahoyan, R.; Sharma, N.; Sharma, S.; Shigaki, K.; Shimomura, M.; Shtejer, K.; Sibiriak, Y.; Siciliano, M.; Sicking, E.; Siemiarczuk, T.; Silenzi, A.; Silvermyr, D.; Simonetti, G.; Singaraju, R.; Singh, R.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Skjerdal, K.; Smakal, R.; Smirnov, N.; Snellings, R.; Søgaard, C.; Soloviev, A.; Soltz, R.; Son, H.; Song, M.; Soos, C.; Soramel, F.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Stefanini, G.; Steinbeck, T.; Stenlund, E.; Steyn, G.; Stocco, D.; Stock, R.; Stolpovskiy, M.; Strmen, P.; Suaide, A. A. P.; Subieta Vásquez, M. A.; Sugitate, T.; Suire, C.; Šumbera, M.; Susa, T.; Swoboda, D.; Symons, T. J. M.; Szanto de Toledo, A.; Szarka, I.; Szostak, A.; Tagridis, C.; Takahashi, J.; Tapia Takaki, J. D.; Tauro, A.; Tavlet, M.; Tejeda Muñoz, G.; Telesca, A.; Terrevoli, C.; Thäder, J.; Thomas, D.; Thomas, J. H.; Tieulent, R.; Timmins, A. R.; Tlusty, D.; Toia, A.; Torii, H.; Toscano, L.; Tosello, F.; Traczyk, T.; Truesdale, D.; Trzaska, W. H.; Tumkin, A.; Turrisi, R.; Turvey, A. J.; Tveter, T. S.; Ulery, J.; Ullaland, K.; Uras, A.; Urbán, J.; Urciuoli, G. M.; Usai, G. L.; Vacchi, A.; Vala, M.; Valencia Palomo, L.; Vallero, S.; van der Kolk, N.; van Leeuwen, M.; Vande Vyvre, P.; Vannucci, L.; Vargas, A.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vechernin, V.; Venaruzzo, M.; Vercellin, E.; Vergara, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Vikhlyantsev, O.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Viyogi, Y. P.; Vodopyanov, A.; Voloshin, K.; Voloshin, S.; Volpe, G.; von Haller, B.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Wagner, B.; Wagner, V.; Wan, R.; Wang, D.; Wang, Y.; Wang, Y.; Watanabe, K.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, A.; Wilk, G.; Williams, M. C. S.; Windelband, B.; Yang, H.; Yasnopolskiy, S.; Yi, J.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yuan, X.; Yushmanov, I.; Zabrodin, E.; Zampolli, C.; Zaporozhets, S.; Zarochentsev, A.; Závada, P.; Zbroszczyk, H.; Zelnicek, P.; Zenin, A.; Zgura, I.; Zhalov, M.; Zhang, X.; Zhou, D.; Zhu, X.; Zichichi, A.; Zinovjev, G.; Zoccarato, Y.; Zynovyev, M.

    2011-01-01

    The centrality dependence of the charged-particle multiplicity density at midrapidity in Pb-Pb collisions at sNN=2.76TeV is presented. The charged-particle density normalized per participating nucleon pair increases by about a factor of 2 from peripheral (70%-80%) to central (0%-5%) collisions. The centrality dependence is found to be similar to that observed at lower collision energies. The data are compared with models based on different mechanisms for particle production in nuclear collisions.

  16. Charge-transfer excitons at organic semiconductor surfaces and interfaces.

    PubMed

    Zhu, X-Y; Yang, Q; Muntwiler, M

    2009-11-17

    When a material of low dielectric constant is excited electronically from the absorption of a photon, the Coulomb attraction between the excited electron and the hole gives rise to an atomic H-like quasi-particle called an exciton. The bound electron-hole pair also forms across a material interface, such as the donor/acceptor interface in an organic heterojunction solar cell; the result is a charge-transfer (CT) exciton. On the basis of typical dielectric constants of organic semiconductors and the sizes of conjugated molecules, one can estimate that the binding energy of a CT exciton across a donor/acceptor interface is 1 order of magnitude greater than k(B)T at room temperature (k(B) is the Boltzmann constant and T is the temperature). How can the electron-hole pair escape this Coulomb trap in a successful photovoltaic device? To answer this question, we use a crystalline pentacene thin film as a model system and the ubiquitous image band on the surface as the electron acceptor. We observe, in time-resolved two-photon photoemission, a series of CT excitons with binding energies < or = 0.5 eV below the image band minimum. These CT excitons are essential solutions to the atomic H-like Schrodinger equation with cylindrical symmetry. They are characterized by principal and angular momentum quantum numbers. The binding energy of the lowest lying CT exciton with 1s character is more than 1 order of magnitude higher than k(B)T at room temperature. The CT(1s) exciton is essentially the so-called exciplex and has a very low probability of dissociation. We conclude that hot CT exciton states must be involved in charge separation in organic heterojunction solar cells because (1) in comparison to CT(1s), hot CT excitons are more weakly bound by the Coulomb potential and more easily dissociated, (2) density-of-states of these hot excitons increase with energy in the Coulomb potential, and (3) electronic coupling from a donor exciton to a hot CT exciton across the D

  17. Quasiclassical trajectory study of energy transfer and collision-induced dissociation in hyperthermal Ar + CH4 and Ar + CF4 collisions.

    PubMed

    Troya, Diego

    2005-07-07

    We present a study of energy transfer in collisions of Ar with methane and perfluoromethane at hyperthermal energies (E(coll) = 4-10 eV). Quasiclassical trajectory calculations of Ar + CX(4) (X = H, F) collisions indicate that energy transfer from reagents' translation to internal modes of the alkane molecule is greatly enhanced by fluorination. The reasons for the enhancement of energy transfer upon fluorination are shown to emerge from a decrease in the hydrocarbon vibrational frequencies of the CX(4) molecule with increasing the mass of the X atom, and to an increase of the steepness of the Ar-CX(4) intermolecular potential. At high collision energies, we find that the cross section of Ar + CF(4) collisions in which the amount of energy transfer is larger than needed to break a C-F bond is at least 1 order of magnitude larger than the cross sections of Ar + CH(4) collisions producing CH(4) with energy above the dissociation limit. In addition, collision-induced dissociation is detected in short time scales in the case of the fluorinated species at E(coll) = 10 eV. These results suggest that the cross section for degradation of fluorinated hydrocarbon polymers under the action of nonreactive hyperthermal gas-phase species might be significantly larger than that of hydrogenated hydrocarbon polymers. We also illustrate a practical way to derive intramolecular potential energy surfaces for bond-breaking collisions by improving semiempirical Hamiltonians based on grids of high-quality ab initio calculations.

  18. Charge transfer of He2 + with H in a strong magnetic field

    NASA Astrophysics Data System (ADS)

    Liu, Chun-Lei; Zou, Shi-Yang; He, Bin; Wang, Jian-Guo

    2015-09-01

    By solving a time-dependent Schrödinger equation (TDSE), we studied the electron capture process in the He2 + +H collision system under a strong magnetic field in a wide projectile energy range. The strong enhancement of the total charge transfer cross section is observed for the projectile energy below 2.0 keV/u. With the projectile energy increasing, the cross sections will reduce a little and then increase again, compared with those in the field-free case. The cross sections to the states with different magnetic quantum numbers are presented and analyzed where the influence due to Zeeman splitting is obviously found, especially in the low projectile energy region. The comparison with other models is made and the tendency of the cross section varying with the projectile energy is found closer to that from other close coupling models. Project supported by the National Natural Science Foundation of China (Grants Nos. 11104017, 11025417, 11275029, and 11474032), the National Basic Research Programm of China (Grant No. 2013CB922200), and the Foundation for the Development of Science and Technology of the Chinese Academy of Engineering Physics (Grant Nos. 2014B09036 and 2013A0102005).

  19. WFC3/UVIS Charge Transfer Efficiency 2009-2015

    NASA Astrophysics Data System (ADS)

    Baggett, S.; Gosmeyer, C.; Noeske, K.

    2015-03-01

    The longterm behavior of the charge transfer efficiency (CTE) in WFC3/UVIS is monitored using observations of external star clusters. Flux loss due to CTE degradation is a function of the source's distance from the amplifier, the source signal level, the background within the image, and the epoch of the observations. The worst-case flux losses occur in images with extremely low backgrounds. In such data, based on photometry within a 3-pixel radius aperture and losses measured across 2048 pixels, the flux losses in early 2015 for faint sources (500-2000 e-) can be as high as ~50+/-2%; losses for brighter sources (8000-32000 e-) are considerably less: ~5 ±1%. Ensuring a modest amount of background can reduce the losses substantially: ~12e-/pix, added via post-flash, reduced the losses to ~15+/-1% and ~4+/-1% for faint and bright sources, respectively. Applying the empirical pixel-based CTE correction algorithm can also reduce flux losses: to ~10+/-1% and ~0+/-1% (unflashed images, no background) and to 3+/-1% and 0.5+/-1% (post-flashed), for the faint and bright sources, respectively. We find that the CTE correction appears to slightly over-correct (1-5%) bright sources in low image backgrounds and over-correct most sources in post-flashed images. We empirically fit the flux losses as a function of source flux, observation date, background level, and distance from the amplifier with a 2nd order polynomial and provide tabulated coefficients.

  20. Intramolecular charge transfer with fluorazene and N-phenylpyrrole.

    PubMed

    Druzhinin, Sergey I; Kovalenko, Sergey A; Senyushkina, Tamara A; Demeter, Attila; Zachariasse, Klaas A

    2010-02-04

    The reaction from the initially prepared locally excited (LE) precursor to the intramolecular charge transfer (ICT) state of the planarized fluorazene (FPP) is investigated and compared with its flexible counterpart N-phenylpyrrole (PP). The fluorescence spectra of FPP and PP at 25 degrees C in solvents of different polarity reveal that the onset of a LE --> ICT reaction occurs at lower polarity (tetrahydrofuran, epsilon = 7.39) for FPP than for PP (1,2-dichloroethane, epsilon = 10.4). In accordance with this observation, the ICT reaction enthalpy -DeltaH is larger for FPP than for PP, 16.7 versus 6.7 kJ/mol in ethyl cyanide (EtCN). The larger ICT efficiency of FPP is related to the smaller energy gap between the two lowest excited singlet states DeltaE(S(1),S(2)): 3680 cm(-1) for FPP and 4070 cm(-1) for PP in n-hexane, as would be expected in the context of the PICT model. From picosecond fluorescence decays in EtCN at -45 degrees C it is found that the LE --> ICT reaction rate constant k(a) of FPP is with 9.8 x 10(10) s(-1) considerably larger than that of PP with 3.9 x 10(10) s(-1). From femtosecond transient absorption spectra in acetonitrile (MeCN) at 22 degrees C, an ICT reaction time of 1.6 ps is obtained for FPP, shorter than the 4.0 ps determined for PP. The results show that a perpendicular twist of the pyrrole and phenyl subgroups is not required for an efficient ICT reaction with PP, the planarization of FPP even making this reaction faster. The similarity of the ESA spectra of FPP with those of PP in MeCN, with ICT absorption maxima at 365 nm (FPP) and 370 nm (PP), leads to the conclusion that both ICT states have a planar structure.

  1. Charge-recombination processes in organic solar cells: the impact of charge-transfer states (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Coropceanu, Veaceslav

    2016-09-01

    We study the role of electron-vibration coupling, electronic polarization, molecular packing, system size and electron delocalization on the nature of the charge-transfer states in model donor-acceptor systems. The morphologies we consider range from a bilayer with flat interface to a bilayer with rough interface and bulk heterojunctions with coarse and fine intercalated domains of donor and acceptor molecules. The implications of the charge-transfer states, active material morphology, density of states and charge carrier concentration on non-geminate recombination kinetics is investigated by means of a three-dimensional reaction-diffusion lattice model with the charge carrier hopping rate described by the Miller-Abrahams formalism.

  2. Proton impact charge transfer on hydantoin - Prebiotic implications

    NASA Astrophysics Data System (ADS)

    Bacchus-Montabonel, Marie-Christine

    2016-11-01

    Formation and destruction of prebiotic compounds in astrophysical environments is a major issue in reactions concerning the origin of life. Detection of hydantoin in laboratory irradiation of interstellar ice analogues has confirmed evidence of this prebiotic compound and its stability to UV radiation or collisions may be crucial. Considering the different astrophysical environments, we have investigated theoretically proton-induced collisions with hydantoin in a wide energy range, from eV in the interstellar medium, up to keV for processes involving solar wind or supernovae shock-waves protons. Results are compared to previous investigations and qualitative trends on damage under spatial radiations are suggested.

  3. Electron emission in collisions of fast highly charged bare ions with helium atoms

    NASA Astrophysics Data System (ADS)

    Mondal, Abhoy; Mandal, Chittranjan; Purkait, Malay

    2016-01-01

    We have studied the electron emission from ground state helium atom in collision with fast bare heavy ions at intermediate and high incident energies. In the present study, we have applied the present three-body formalism of the three Coulomb wave (3C-3B) model and the previously adopted four-body formalism of the three Coulomb wave (3C-4B). To represent the active electron in the helium atom in the 3C-3B model, the initial bound state wavefunction is chosen to be hydrogenic with an effective nuclear charge. The wavefunction for the ejected electron in the exit channel has been approximated to be a Coulomb continuum wavefunction with same effective nuclear charge. Effectively the continuum-continuum correlation effect has been considered in the present investigation. Here we have calculated the energy and angular distribution of double differential cross sections (DDCS) at low and high energy electron emission from helium atom. The large forward-backward asymmetry is observed in the angular distribution which is explained in terms of the two-center effect (TCE). Our theoretical results are compared with available experimental results as well as other theoretical calculations based on the plain wave Born approximation (PWBA), continuum-distorted wave (CDW) approximation, continuum-distorted wave eikonal-initial state (CDW-EIS) approximation, and the corresponding values obtained from the 3C-4B model [S. Jana, R. Samanta, M. Purkait, Phys. Scr. 88, 055301 (2013)] respectively. It is observed that the four-body version of the present investigation produces results which are in better agreement with experimental observations for all cases.

  4. Charge-transfer induced EUV and soft X-ray emissions in the heliosphere

    NASA Astrophysics Data System (ADS)

    Koutroumpa, D.; Lallement, R.; Kharchenko, V.; Dalgarno, A.; Pepino, R.; Izmodenov, V.; Quémerais, E.

    2006-12-01

    Aims.We study the EUV/soft X-ray emission generated by charge transfer between solar wind heavy ions and interstellar neutral atoms and variations of the X-ray intensities and spectra with the line of sight direction, the observer location, the solar cycle phase and the solar wind anisotropies, and a temporary enhancement of the solar wind similar to the event observed by Snowden et al. (2004) during the XMM-Hubble Deep Field North exposure. Methods: .Using recent observations of the neutral atoms combined with updated cross-sections and cascading photon spectra we have computed self-consistent distributions of interstellar hydrogen, helium and highly charged solar wind ions for a stationary solar wind and we have constructed monochromatic emission maps and spectra. We have evaluated separately the contribution of the heliosheath and heliotail, and included X-ray emission of the excited solar wind ions produced in sequential collisions to the signal. Results: .In most practicable observations, the low and medium latitude X-ray emission is significantly higher at minimum activity than at maximum, especially around December. This occurs due to a strong depletion of neutrals during the high activity phase, which is not compensated by an increase of the solar wind flux. For high latitudes the emission depends on the ion species in a complex way. Intensity maps are in general significantly different for observations separated by six-month intervals. Secondary ions are found to make a negligible contribution to the X-ray line of sight intensities, because their density becomes significant only at large distances. The contribution of the heliosheath-heliotail is always smaller than 5%. We can reproduce both the intensity range and the temporal variation of the XMM-HDFN emission lines in the 0.52-0.75 keV interval, using a simple enhanced solar wind spiral stream. This suggests a dominant heliospheric origin for these lines, before, during and also after the event.

  5. Measurement of kinetic energy release in CO fragmentation by charge-changing collisions of fast heavy ions

    SciTech Connect

    Mizuno, T.; Yamada, T.; Tsuchida, H.; Itoh, A.; Nakai, Y.

    2010-01-15

    We study ionization and fragmentation of CO in electron loss and capture collisions of B{sup 2+}, O{sup 2+}, and Si{sup 2+} ions at an energy of 71.4 keV/u (v=1.69 a.u.). Coincidence measurements of fragment ions from CO and charge-selected ions were performed by means of a momentum three-dimensional imaging technique. Production cross sections of CO{sup r+} and branching ratios into various fragmentation channels were obtained for r=1-4. We also measured kinetic energy release (KER) in individual fragmentation channels. The KER spectra for r<=2 are found to be different for electron loss and capture collisions, while the difference becomes small for r>=3. As a measure of the degree of molecular fragmentation, the magnitude of the binding energy of the relevant electronic states seems the important parameter both in loss and capture collisions.

  6. Correlated charge-changing ion-atom collisions. Progress report, February 16, 1990--February 15, 1993

    SciTech Connect

    Tanis, J.A.

    1993-02-01

    This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant DE-FG02-87ER13778 from February 16, 1990 through February 15, 1993. This work involves the experimental investigation of atomic interactions in collisions of charged projectiles with neutral targets or electrons, with particular emphasis on two-electron interactions and electron-correlation effects. The processes studied are of interest both from fundamental and applied points of view. In the latter case, results are obtained which are relevant to the understanding of laboratory and astrophysical plasmas, highly-excited (Rydberg) and continuum states of atoms and ions, atomic structure effects, the interaction of ions with surfaces, and the development of heavy-ion storage-rings. The results obtained have provided the basis for several M.A. thesis projects at Western Michigan and several Ph.D. dissertation projects are currently underway. Summaries of work completed and work in progress are given below in Section II. This research has resulted in 26 papers (in print and in press), 12 invited presentations at national and international meetings, and 28 contributed presentations as detailed in Section III.

  7. Temporal and Spatial Variations of Heliospheric X-Ray Emissions Associated with Charge Transfer of the Solar Wind with Interstellar Neutrals

    NASA Astrophysics Data System (ADS)

    Robertson, I. P.; Cravens, T. E.; Snowden, S.

    2003-09-01

    X-rays should be generated throughout the heliosphere as a consequence of charge transfer collisions between heavy solar wind ions and interstellar neutrals. The high charge state solar wind ions resulting from these collisions are left in highly excited states and emit extreme ultraviolet or soft X-ray photons. X-rays should also be generated because of charge transfer collisions with neutral hydrogen in the Earth's geocorona. Originally a simple model was developed in which both the solar wind and the interstellar neutrals were assumed to be spherically symmetric and time independent. In our updated results, the hot model of Fahr [1] was used to model spatial variations of interstellar helium and hydrogen. At the same time a simple model was created to simulate X-ray radiation due to the Earth's geocorona. With the updated information, time independent maps of the heliospheric X-ray emission across the sky were created. Measured time histories of the solar wind proton flux were used in this updated model and the results were compared with ``long term enhancements'' in the soft X-ray background measured by the Röentgen satellite (ROSAT) for the same time period.

  8. Ligand dissociation mediated charge transfer observed at colloidal W18O49 nanoparticle interfaces.

    PubMed

    Grauer, David C; Alivisatos, A Paul

    2014-03-11

    Understanding charge transfer dynamics through the ligand shell of colloidal nanoparticles has been an important pursuit in solar energy conversion. While charge transport through ligand shells of nanoparticle films has been studied intensely in static dry and electrochemical systems, its influence on charge transfer kinetics in dispersed colloidal systems has received relatively less attention. This work reports the oxidation of amine passivated tungsten oxide nanoparticles by an organically soluble tris-(1,10-phenanthroline) iron(III) derivative. By following the rate of this oxidation optically via the production of the ferroin derivative under various reaction conditions and particle derivatizations, we are able to show that the fluxional ligand shells on dispersed, colloidal nanoparticles provide a separate and more facile pathway for charge transfer, in which the rate-limiting step for charge transfer is the ligand dissociation. Since such ligand shells are frequently required for nanoparticle stability, this observation has significant implications for colloidal nanoparticle photocatalysis.

  9. A three-step kinetic model for electrochemical charge transfer in the hopping regime.

    PubMed

    Yin, Xing; Wierzbinski, Emil; Lu, Hao; Bezer, Silvia; de Leon, Arnie R; Davis, Kathryn L; Achim, Catalina; Waldeck, David H

    2014-09-04

    Single-step nonadiabatic electron tunneling models are widely used to analyze electrochemical rates through self-assembled monolayer films (SAMs). For some systems, such as nucleic acids, long-range charge transfer can occur in a "hopping" regime that involves multiple charge transfer events and intermediate states. This report describes a three-step kinetic scheme to model charge transfer in this regime. Some of the features of the three-step model are probed experimentally by changing the chemical composition of the SAM. This work uses the three-step model and a temperature dependence of the charge transfer rate to extract the charge injection barrier for a SAM composed of a 10-mer peptide nucleic acid that operates in the hopping regime.

  10. Unravelling the dissociation pathways of acetic acid upon electron transfer in potassium collisions: experimental and theoretical studies.

    PubMed

    Meneses, G; Widmann, C; Cunha, T; Gil, A; Ferreira da Silva, F; Calhorda, M J; Limão-Vieira, P

    2017-01-04

    Electron transfer in alkali-molecule collisions with gas phase acetic acid and its deuterated analogues resulting in OH(-) formation requires considerable internal rearrangement in the temporary negative ion. At a collision energy well above the threshold of negative ion formation, electron transfer from potassium to CH3COOH/CH3COOD and CD3COOH results not only in H transfer from CH3 to COOH/COOD, but also in H release from COOH and subsequent rearrangement to eliminate OH(-). These processes are also investigated by theoretical post-Hartree-Fock and DFT calculations. The combination of both studies reveals that the most favourable intermediate mechanism occurs via diol formation. Such intramolecular H transfer is reported here for the first time in the context of electron transfer induced dissociation experiments in alkali-molecule collisions. A comprehensive fragmentation study is presented and dissociation mechanisms are suggested.

  11. Conducting molecular nanostructures assembled from charge-transfer complexes grafted onto silicon surfaces

    NASA Astrophysics Data System (ADS)

    Stires, John C., IV; Kasibhatla, Bala S. T.; Siegel, Dustin S.; Kwong, Jinny C.; Caballero, Jonathan B.; Labonte, Andre P.; Reifenberger, Ronald G.; Datta, Supriyo; Kubiak, Clifford P.

    2003-12-01

    Heterodimeric electon-donor/electron-acceptor charge-transfer complexes chemisorbed onto Au(111) by attachment of the electron-donor to the surface have been characterized by scanning tunneling microscopy and Kelvin probe experiments. Conductance measurements exhibit nearly Ohmic I(V) responses at low bias. The electrical properties of the charge-transfer complex are vastly different than those of the electron-donor alone which exhibits insulating behavior at low bias. In an extension of this work, strategies are being developed for attachment of charge-transfer complexes to semiconducting or insulating surfaces. Fabrication of nanoscale molecular electronic devices is being investigated by attaching one component of a charge-transfer complex to a silicon surface by chemically directed self-assembly. The single component-functionalized surface is then used as a substrate on which the second component of the charge-transfer complex is deposited by the atomic force microscopy method, dip-pen nanolithography (DPN). Derivatives of hexamethylbenze (electron-donor) with terminal olefins attached to crystalline silicon surfaces via hydrosilylation form monolayer-functionalized silicon surfaces that are expected to have insulating properties. Well-defined features can be "drawn" onto the donor-functionalized surfaces by DPN using tetracyanoethylene (electron-acceptor) as the "ink." The resulting charge-transfer complex nanostructures have conducting properties suitable for device function and are flanked by an insulating monolayer, thus creating "wires" made from charge-transfer complexes.

  12. Thunderstorm Electrification and Raindrop Collisions and Disjection in an Electric Field.

    PubMed

    Gunn, R

    1965-11-12

    Raindrop collisions in an electric field selectively transfer charges of one sign to the larger disjected drops. The disjected drops, falling away from the smaller drops, separate free charge to establish electric fields as large as those observed in thunderstorms.

  13. Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic molecules

    NASA Astrophysics Data System (ADS)

    Spinlove, K. E.; Vacher, M.; Bearpark, M.; Robb, M. A.; Worth, G. A.

    2017-01-01

    Recent work, particularly by Cederbaum and co-workers, has identified the phenomenon of charge migration, whereby charge flow occurs over a static molecular framework after the creation of an electronic wavepacket. In a real molecule, this charge migration competes with charge transfer, whereby the nuclear motion also results in the re-distribution of charge. To study this competition, quantum dynamics simulations need to be performed. To break the exponential scaling of standard grid-based algorithms, approximate methods need to be developed that are efficient yet able to follow the coupled electronic-nuclear motion of these systems. Using a simple model Hamiltonian based on the ionisation of the allene molecule, the performance of different methods based on Gaussian Wavepackets is demonstrated.

  14. Study of the dissociation of a charge-reduced phosphopeptide formed by electron transfer from an alkali metal target.

    PubMed

    Hayakawa, Shigeo; Hashimoto, Mami; Nagao, Hirofumi; Awazu, Kunio; Toyoda, Michisato; Ichihara, Toshio; Shigeri, Yasushi

    2008-01-01

    Doubly protonated phosphopeptide (YGGMHRQET(p)VDC) ions obtained by electrospray ionization were collided with Xe and Cs targets to give singly and doubly charged positive ions via collision-induced dissociation (CID). The resulting ions were analyzed and detected by using an electrostatic analyzer (ESA). Whereas doubly charged fragment ions resulting from collisionally activated dissociation (CAD) were dominant in the CID spectrum with the Xe target, singly charged fragment ions resulting from electron transfer dissociation (ETD) were dominant in the CID spectrum with the Cs target. The most intense peak resulting from ETD was estimated to be associated with the charge-reduced ion with H2 lost from the precursor. Five c-type fragment ions with amino acid residues detached consecutively from the C-terminal were clearly observed without a loss of the phosphate group. These ions must be formed by N--Calpha bond cleavage, in a manner similar to the cases of electron capture dissociation (ECD) and ETD from negative ions. Although the accuracy in m/z of the CID spectra was about +/-1 Th because of the mass analysis using the ESA, it is supposed from the m/z values of the c-type ions that these ions were accompanied by the loss of a hydrogen atom. Four z-type (or y--NH3, or y--H2O) ions analogously detached consecutively from the N-terminal were also observed. The fragmentation processes took place within the time scale of 4.5 micros in the high-energy collision. The present results demonstrated that high-energy ETD with the alkali metal target allowed determination of the position of phosphorylation and the amino acid sequence of post-translational peptides.

  15. Electron transfer, excitation, and ionization in {alpha}-H collisions studied with a Sturmian basis

    SciTech Connect

    Winter, Thomas G.

    2007-12-15

    Cross sections have been determined for electron transfer, direct excitation, and ionization in collisions between {alpha} particles and H(1s) atoms at {alpha} energies 3 keV-38.4 MeV, extending earlier work [Phys. Rev. A 25, 697 (1982)] restricted to total transfer at 20-200 keV. Transfer as well as excitation cross sections into individual states up to 3d have been determined with several coupled-Sturmian pseudostate bases, and tests of basis sensitivity have been carried out. These and ionization cross sections have been compared with existing experimental and other coupled-state results. Structure is observed in the lower-energy excitation cross sections, which is believed not to be an artifact of the bases used. Ionization and excitation cross sections have also been compared with corresponding Born results at higher energies.

  16. Charged-particle multiplicity pp collisions at square root of (s) = 1.8 TeV.

    PubMed

    Affolder, T; Akimoto, H; Akopian, A; Albrow, M G; Amaral, P; Amidei, D; Anikeev, K; Antos, J; Apollinari, G; Arisawa, T; Artikov, A; Asakawa, T; Ashmanskas, W; Azfar, F; Azzi-Bacchetta, P; Bacchetta, N; Bachacou, H; Bailey, S; de Barbaro, P; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Baroiant, S; Barone, M; Bauer, G; Bedeschi, F; Belforte, S; Bell, W H; Bellettini, G; Bellinger, J; Benjamin, D; Bensinger, J; Beretvas, A; Berge, J P; Berryhill, J; Bhatti, A; Binkley, M; Bisello, D; Bishai, M; Blair, R E; Blocker, C; Bloom, K; Blumenfeld, B; Blusk, S R; Bocci, A; Bodek, A; Bokhari, W; Bolla, G; Bonushkin, Y; Bortoletto, D; Boudreau, J; Brandl, A; van Brink, S; Bromberg, C; Brozovic, M; Brubaker, E; Bruner, N; Buckley-Geer, E; Budagov, J; Budd, H S; Burkett, K; Busetto, G; Byon-Wagner, A; Byrum, K L; Cabrera, S; Calafiura, P; Campbell, M; Carithers, W; Carlson, J; Carlsmith, D; Caskey, W; Castro, A; Cauz, D; Cerri, A; Chan, A W; Chang, P S; Chang, P T; Chapman, J; Chen, C; Chen, Y C; Cheng, M T; Chertok, M; Chiarelli, G; Chirikov-Zorin, I; Chlachidze, G; Chlebana, F; Christofek, L; Chu, M L; Chung, Y S; Ciobanu, C I; Clark, A G; Connolly, A; Conway, J; Cordelli, M; Cranshaw, J; Cropp, R; Culbertson, R; Dagenhart, D; D'Auria, S; DeJongh, F; Dell'Agnello, S; Dell'Orso, M; Demortier, L; Deninno, M; Derwent, P F; Devlin, T; Dittmann, J R; Dominguez, A; Donati, S; Done, J; D'Onofrio, M; Dorigo, T; Eddy, N; Einsweiler, K; Elias, J E; Engels, E; Erbacher, R; Errede, D; Errede, S; Fan, Q; Feild, R G; Fernandez, J P; Ferretti, C; Field, R D; Fiori, I; Flaugher, B; Foster, G W; Franklin, M; Freeman, J; Friedman, J; Fukui, Y; Furic, I; Galeotti, S; Gallas, A; Gallinaro, M; Gao, T; Garcia-Sciveres, M; Garfinkel, A F; Gatti, P; Gay, C; Gerdes, D W; Giannetti, P; Giromini, P; Glagolev, V; Glenzinski, D; Gold, M; Goldstein, J; Gorelov, I; Goshaw, A T; Gotra, Y; Goulianos, K; Green, C; Grim, G; Gris, P; Groer, L; Grosso-Pilcher, C; Guenther, M; Guillian, G; Guimaraes De Costa, J; Haas, R M; Haber, C; Hahn, S R; Hall, C; Handa, T; Handler, R; Hao, W; Happacher, F; Hara, K; Hardman, A D; Harris, R M; Hartmann, F; Hatakeyama, K; Hauser, J; Heinrich, J; Heiss, A; Herndon, M; Hill, C; Hoffman, K D; Holck, C; Hollebeek, R; Holloway, L; Hughes, R; Huston, J; Huth, J; Ikeda, H; Incandela, J; Introzzi, G; Iwai, J; Iwata, Y; James, E; Jones, M; Joshi, U; Kambara, H; Kamon, T; Kaneko, T; Karr, K; Kasha, H; Kato, Y; Keaffaber, T A; Kelley, K; Kelly, M; Kennedy, R D; Kephart, R; Khazins, D; Kikuchi, T; Kilminster, B; Kim, B J; Kim, D H; Kim, H S; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kirby, M; Kirk, M; Kirsch, L; Klimenko, S; Koehn, P; Kondo, K; Konigsberg, J; Korn, A; Korytov, A; Kovacs, E; Kroll, J; Kruse, M; Kuhlmann, S E; Kurino, K; Kuwabara, T; Laasanen, A T; Lai, N; Lami, S; Lammel, S; Lancaster, J; Lancaster, M; Lander, R; Lath, A; Latino, G; LeCompte, T; Lee, A M; Lee, K; Leone, S; Lewis, J D; Lindgren, M; Liss, T M; Liu, J B; Liu, Y C; Litvintsev, D O; Lobban, O; Lockyer, N; Loken, J; Loreti, M; Lucchesi, D; Lukens, P; Lusin, S; Lyons, L; Lys, J; Madrak, R; Maeshima, K; Maksimovic, P; Malferrari, L; Mangano, M; Mariotti, M; Martignon, G; Martin, A; Matthews, J A; Mayer, J; Mazzanti, P; McFarland, K S; McIntyre, P; McKigney, E; Menguzzato, M; Menzione, A; Mesropian, C; Meyer, A; Miao, T; Miller, R; Miller, J S; Minato, H; Miscetti, S; Mishina, M; Mitselmakher, G; Moggi, N; Moore, E; Moore, R; Morita, Y; Moulik, T; Mulhearn, M; Mukherjee, A; Muller, T; Munar, A; Murat, P; Murgia, S; Nachtman, J; Nagaslaev, V; Nahn, S; Nakada, H; Nakano, I; Nelson, C; Nelson, T; Neu, C; Neuberger, D; Newman-Holmes, C; Ngan, C Y; Niu, H; Nodulman, L; Nomerotski, A; Oh, S H; Oh, Y D; Ohmoto, T; Ohsugi, T; Oishi, R; Okusawa, T; Olsen, J; Orejudos, W; Pagliarone, C; Palmonari, F; Paoletti, R; Papadimitriou, V; Partos, D; Patrick, J; Pauletta, G; Paulini, M; Paus, C; Pescara, L; Phillips, T J; Piacentino, G; Pitts, K T; Plunkett, R; Pompos, A; Pondrom, L; Pope, G; Popovic, M; Prokoshin, F; Proudfoot, J; Ptohos, F; Pukhov, O; Punzi, G; Rakitine, A; Ratnikov, F; Reher, D; Reichold, A; Ribon, A; Riegler, W; Rimondi, F; Ristori, L; Riveline, M; Robertson, W J; Robinson, A; Rodrigo, T; Rolli, S; Rosenson, L; Roser, R; Rossin, R; Roy, A; Ruiz, A; Safonov, A; St Denis, R; Sakumoto, W K; Saltzberg, D; Sanchez, C; Sansoni, A; Santi, L; Sato, H; Savard, P; Schlabach, P; Schmidt, E E; Schmidt, M P; Schmitt, M; Scodellaro, L; Scott, A; Scribano, A; Segler, S; Seidel, S; Seiya, Y; Semenov, A; Semeria, F; Shah, T; Shapiro, M D; Shepard, P F; Shibayama, T; Shimojima, M; Shochet, M; Sidoti, A; Siegrist, J; Sill, A; Sinervo, P; Singh, P; Slaughter, A J; Sliwa, K; Smith, C; Snider, F D; Solodsky, A; Spalding, J; Speer, T; Sphicas, P; Spinella, F; Spiropulu, M; Spiegel, L; Steele, J; Stefanini, A; Strologas, J; Strumia, F; Stuart, D; Sumorok, K; Suzuki, T; Takano, T; Takashima, R; Takikawa, K; Tamburello, P; Tanaka, M; Tannenbaum, B; Tecchio, M; Tesarek, R; Teng, P K; Terashi, K; Tether, S; Thompson, A S; Thurman-Keup, R; Tipton, P; Tkaczyk, S; Toback, D; Tollefson, K; Tollestrup, A; Tonelli, D; Toyoda, H; Trischuk, W; de Troconiz, J F; Tseng, J; Turini, N; Ukegawa, F; Vaiciulis, T; Valls, J; Vejcik, S; Velev, G; Veramendi, G; Vidal, R; Vila, I; Vilar, R; Volobouev, I; von Der Mey, M; Vucinic, D; Wagner, R G; Wagner, R L; Wallace, N B; Wan, Z; Wang, C; Wang, M J; Ward, B; Waschke, S; Watanabe, T; Waters, D; Watts, T; Webb, R; Wenzel, H; Wester, W C; Wicklund, A B; Wicklund, E; Wilkes, T; Williams, H H; Wilson, P; Winer, B L; Winn, D; Wolbers, S; Wolinski, D; Wolinski, J; Wolinski, S; Worm, S; Wu, X; Wyss, J; Yao, W; Yeh, G P; Yeh, P; Yoh, J; Yosef, C; Yoshida, T; Yu, I; Yu, S; Yu, Z; Zanetti, A; Zetti, F; Zucchelli, S

    2001-11-19

    We report on a measurement of the mean charged-particle multiplicity of jets in dijet events with dijet masses in the range 80-630 GeV/c(2), produced at the Tevatron in pp collisions with square root (s) = 1.8 TeV and recorded by the Collider Detector at Fermilab. The data are fit to perturbative-QCD calculations carried out in the framework of the modified leading log approximation and the hypothesis of local parton-hadron duality. The fit yields values for two parameters in that framework: the ratio of parton multiplicities in gluon and quark jets, r identical withN(g-jet)(partons)/N(q-jet)(partons) = 1.7+/-0.3, and the ratio of the number of charged hadrons to the number of partons in a jet, K(charged)(LPHD) identical with N(charged)(hadrons)/N(partons) = 0.57+/-0.11.

  17. Charge-Dependent Directed Flow in Cu+Au Collisions at sNN=200 GeV

    DOE PAGES

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; ...

    2017-01-05

    Here we present the first measurement of charge-dependent directed flow in Cu + Au collisions atmore » $$\\sqrt{s}$$$_ {NN}$$ = 200 GeV . The results are presented as a function of the particle transverse momentum and pseudorapidity for different centralities. A finite difference between the directed flow of positive and negative charged particles is observed that qualitatively agrees with the expectations from the effects of the initial strong electric field between two colliding ions with different nuclear charges. The measured difference in directed flow is much smaller than that obtained from the parton-hadron-string-dynamics model, which suggests that most of the electric charges, i.e., quarks and antiquarks, have not yet been created during the lifetime of the strong electric field, which is of the order of, or less than, 1fm / c .« less

  18. Charge-Dependent Directed Flow in Cu +Au Collisions at √{sN N } =200 GeV

    NASA Astrophysics Data System (ADS)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Anderson, D. M.; Aoyama, R.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Ashraf, M. U.; Attri, A.; Averichev, G. S.; Bai, X.; Bairathi, V.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Bouchet, J.; Brandenburg, J. D.; Brandin, A. V.; Bunzarov, I.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Chakaberia, I.; Chaloupka, P.; Chang, Z.; Chatterjee, A.; Chattopadhyay, S.; Chen, X.; Chen, J. H.; Cheng, J.; Cherney, M.; Christie, W.; Contin, G.; Crawford, H. J.; Das, S.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; di Ruzza, B.; Didenko, L.; Dilks, C.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Engelage, J.; Eppley, G.; Esha, R.; Esumi, S.; Evdokimov, O.; Eyser, O.; Fatemi, R.; Fazio, S.; Federic, P.; Fedorisin, J.; Feng, Z.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, C. E.; Fulek, L.; Gagliardi, C. A.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Greiner, L.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, S.; Gupta, A.; Guryn, W.; Hamad, A. I.; Hamed, A.; Haque, R.; Harris, J. W.; He, L.; Heppelmann, S.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Horvat, S.; Huang, B.; Huang, X.; Huang, H. Z.; Huang, T.; Huck, P.; Humanic, T. J.; Igo, G.; Jacobs, W. W.; Jentsch, A.; Jia, J.; Jiang, K.; Jowzaee, S.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Khan, Z. H.; Kikoła, D. P.; Kisel, I.; Kisiel, A.; Kochenda, L.; Koetke, D. D.; Kosarzewski, L. K.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kumar, L.; Lamont, M. A. C.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, Y.; Li, C.; Li, W.; Li, X.; Li, X.; Lin, T.; Lisa, M. A.; Liu, Y.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Luo, S.; Ma, G. L.; Ma, R.; Ma, Y. G.; Ma, L.; Magdy, N.; Majka, R.; Manion, A.; Margetis, S.; Markert, C.; Matis, H. S.; McDonald, D.; McKinzie, S.; Meehan, K.; Mei, J. C.; Miller, Z. W.; Minaev, N. G.; Mioduszewski, S.; Mishra, D.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nigmatkulov, G.; Niida, T.; Nogach, L. V.; Nonaka, T.; Novak, J.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Okorokov, V. A.; Olvitt, D.; Page, B. S.; Pak, R.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlik, B.; Pei, H.; Perkins, C.; Pile, P.; Pluta, J.; Poniatowska, K.; Porter, J.; Posik, M.; Poskanzer, A. M.; Pruthi, N. K.; Przybycien, M.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Ray, R. L.; Reed, R.; Rehbein, M. J.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Roth, J. D.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Sakrejda, I.; Salur, S.; Sandweiss, J.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, A.; Sharma, M. K.; Sharma, B.; Shen, W. Q.; Shi, S. S.; Shi, Z.; Shou, Q. Y.; Sichtermann, E. P.; Sikora, R.; Simko, M.; Singha, S.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Solyst, W.; Song, L.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stepanov, M.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Sugiura, T.; Sumbera, M.; Summa, B.; Sun, Z.; Sun, Y.; Sun, X. M.; Surrow, B.; Svirida, D. N.; Tang, A. H.; Tang, Z.; Tarnowsky, T.; Tawfik, A.; Thäder, J.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Todoroki, T.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Tripathy, S. K.; Tsai, O. D.; Ullrich, T.; Underwood, D. G.; Upsal, I.; Van Buren, G.; van Nieuwenhuizen, G.; Varma, R.; Vasiliev, A. N.; Vertesi, R.; Videbæk, F.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wang, G.; Wang, F.; Wang, J. S.; Wang, Y.; Wang, H.; Wang, Y.; Webb, J. C.; Webb, G.; Wen, L.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y.; Xiao, Z. G.; Xie, W.; Xie, G.; Xin, K.; Xu, Q. H.; Xu, Y. F.; Xu, H.; Xu, Z.; Xu, N.; Xu, J.; Yang, C.; Yang, Y.; Yang, S.; Yang, Y.; Yang, Q.; Yang, Y.; Ye, Z.; Ye, Z.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zbroszczyk, H.; Zha, W.; Zhang, J.; Zhang, X. P.; Zhang, S.; Zhang, Y.; Zhang, J. B.; Zhang, Z.; Zhang, S.; Zhang, J.; Zhao, J.; Zhong, C.; Zhou, L.; Zhu, X.; Zoulkarneeva, Y.; Zyzak, M.; STAR Collaboration

    2017-01-01

    We present the first measurement of charge-dependent directed flow in Cu +Au collisions at √{sN N }=200 GeV . The results are presented as a function of the particle transverse momentum and pseudorapidity for different centralities. A finite difference between the directed flow of positive and negative charged particles is observed that qualitatively agrees with the expectations from the effects of the initial strong electric field between two colliding ions with different nuclear charges. The measured difference in directed flow is much smaller than that obtained from the parton-hadron-string-dynamics model, which suggests that most of the electric charges, i.e., quarks and antiquarks, have not yet been created during the lifetime of the strong electric field, which is of the order of, or less than, 1 fm /c .

  19. Direct Measurement of the W Production Charge Asymmetry in p pmacr Collisions at s=1.96TeV

    NASA Astrophysics Data System (ADS)

    Aaltonen, T.; Adelman, J.; Akimoto, T.; Álvarez González, B.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Apresyan, A.; Arisawa, T.; Artikov, A.; Ashmanskas, W.; Attal, A.; Aurisano, A.; Azfar, F.; Azzurri, P.; Badgett, W.; Barbaro-Galtieri, A.; Barnes, V. E.; Barnett, B. A.; Bartsch, V.; Bauer, G.; Beauchemin, P.-H.; Bedeschi, F.; Beecher, D.; Behari, S.; Bellettini, G.; Bellinger, J.; Benjamin, D.; Beretvas, A.; Beringer, J.; Bhatti, A.; Binkley, M.; Bisello, D.; Bizjak, I.; Blair, R. E.; Blocker, C.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Boisvert, V.; Bolla, G.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brau, B.; Bridgeman, A.; Brigliadori, L.; Bromberg, C.; Brubaker, E.; Budagov, J.; Budd, H. S.; Budd, S.; Burke, S.; Burkett, K.; Busetto, G.; Bussey, P.; Buzatu, A.; Byrum, K. L.; Cabrera, S.; Calancha, C.; Campanelli, M.; Campbell, M.; Canelli, F.; Canepa, A.; Carls, B.; Carlsmith, D.; Carosi, R.; Carrillo, S.; Carron, S.; Casal, B.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavaliere, V.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chang, S. H.; Chen, Y. C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Chlebana, F.; Cho, K.; Chokheli, D.; Chou, J. P.; Choudalakis, G.; Chuang, S. H.; Chung, K.; Chung, W. H.; Chung, Y. S.; Chwalek, T.; Ciobanu, C. I.; Ciocci, M. A.; Clark, A.; Clark, D.; Compostella, G.; Convery, M. E.; Conway, J.; Cordelli, M.; Cortiana, G.; Cox, C. A.; Cox, D. J.; Crescioli, F.; Cuenca Almenar, C.; Cuevas, J.; Culbertson, R.; Cully, J. C.; Dagenhart, D.; Datta, M.; Davies, T.; de Barbaro, P.; de Cecco, S.; Deisher, A.; de Lorenzo, G.; Dell'Orso, M.; Deluca, C.; Demortier, L.; Deng, J.; Deninno, M.; Derwent, P. F.; di Giovanni, G. P.; Dionisi, C.; di Ruzza, B.; Dittmann, J. R.; D'Onofrio, M.; Donati, S.; Dong, P.; Donini, J.; Dorigo, T.; Dube, S.; Efron, J.; Elagin, A.; Erbacher, R.; Errede, D.; Errede, S.; Eusebi, R.; Fang, H. C.; Farrington, S.; Fedorko, W. T.; Feild, R. G.; Feindt, M.; Fernandez, J. P.; Ferrazza, C.; Field, R.; Flanagan, G.; Forrest, R.; Frank, M. J.; Franklin, M.; Freeman, J. C.; Furic, I.; Gallinaro, M.; Galyardt, J.; Garberson, F.; Garcia, J. E.; Garfinkel, A. F.; Genser, K.; Gerberich, H.; Gerdes, D.; Gessler, A.; Giagu, S.; Giakoumopoulou, V.; Giannetti, P.; Gibson, K.; Gimmell, J. L.; Ginsburg, C. M.; Giokaris, N.; Giordani, M.; Giromini, P.; Giunta, M.; Giurgiu, G.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldschmidt, N.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; González, O.; Gorelov, I.; Goshaw, A. T.; Goulianos, K.; Gresele, A.; Grinstein, S.; Grosso-Pilcher, C.; Group, R. C.; Grundler, U.; Guimaraes da Costa, J.; Gunay-Unalan, Z.; Haber, C.; Hahn, K.; Hahn, S. R.; Halkiadakis, E.; Han, B.-Y.; Han, J. Y.; Happacher, F.; Hara, K.; Hare, D.; Hare, M.; Harper, S.; Harr, R. F.; Harris, R. M.; Hartz, M.; Hatakeyama, K.; Hays, C.; Heck, M.; Heijboer, A.; Heinrich, J.; Henderson, C.; Herndon, M.; Heuser, J.; Hewamanage, S.; Hidas, D.; Hill, C. S.; Hirschbuehl, D.; Hocker, A.; Hou, S.; Houlden, M.; Hsu, S.-C.; Huffman, B. T.; Hughes, R. E.; Husemann, U.; Hussein, M.; Huston, J.; Incandela, J.; Introzzi, G.; Iori, M.; Ivanov, A.; James, E.; Jang, D.; Jayatilaka, B.; Jeon, E. J.; Jha, M. K.; Jindariani, S.; Johnson, W.; Jones, M.; Joo, K. K.; Jun, S. Y.; Jung, J. E.; Junk, T. R.; Kamon, T.; Kar, D.; Karchin, P. E.; Kato, Y.; Kephart, R.; Keung, J.; Khotilovich, V.; Kilminster, B.; Kim, D. H.; Kim, H. S.; Kim, H. W.; Kim, J. E.; Kim, M. J.; Kim, S. B.; Kim, S. H.; Kim, Y. K.; Kimura, N.; Kirsch, L.; Klimenko, S.; Knuteson, B.; Ko, B. R.; Kondo, K.; Kong, D. J.; Konigsberg, J.; Korytov, A.; Kotwal, A. V.; Kreps, M.; Kroll, J.; Krop, D.; Krumnack, N.; Kruse, M.; Krutelyov, V.; Kubo, T.; Kuhr, T.; Kulkarni, N. P.; Kurata, M.; Kwang, S.; Laasanen, A. T.; Lami, S.; Lammel, S.; Lancaster, M.; Lander, R. L.; Lannon, K.; Lath, A.; Latino, G.; Lazzizzera, I.; Lecompte, T.; Lee, E.; Lee, H. S.; Lee, S. W.; Leone, S.; Lewis, J. D.; Lin, C.-S.; Linacre, J.; Lindgren, M.; Lipeles, E.; Lister, A.; Litvintsev, D. O.; Liu, C.; Liu, T.; Lockyer, N. S.; Loginov, A.; Loreti, M.; Lovas, L.; Lucchesi, D.; Luci, C.; Lueck, J.; Lujan, P.; Lukens, P.; Lungu, G.; Lyons, L.; Lys, J.; Lysak, R.; MacQueen, D.; Madrak, R.; Maeshima, K.; Makhoul, K.; Maki, T.; Maksimovic, P.; Malde, S.; Malik, S.; Manca, G.; Manousakis-Katsikakis, A.; Margaroli, F.; Marino, C.; Marino, C. P.; Martin, A.; Martin, V.; Martínez, M.; Martínez-Ballarín, R.; Maruyama, T.; Mastrandrea, P.; Masubuchi, T.; Mathis, M.; Mattson, M. E.; Mazzanti, P.; McFarland, K. S.; McIntyre, P.; McNulty, R.; Mehta, A.; Mehtala, P.; Menzione, A.; Merkel, P.; Mesropian, C.; Miao, T.; Miladinovic, N.; Miller, R.; Mills, C.; Milnik, M.; Mitra, A.; Mitselmakher, G.; Miyake, H.; Moggi, N.; Moon, C. S.; Moore, R.; Morello, M. J.; Morlock, J.; Movilla Fernandez, P.; Mülmenstädt, J.; Mukherjee, A.; Muller, Th.; Mumford, R.; Murat, P.; Mussini, M.; Nachtman, J.; Nagai, Y.; Nagano, A.; Naganoma, J.; Nakamura, K.; Nakano, I.; Napier, A.; Necula, V.; Nett, J.; Neu, C.; Neubauer, M. S.; Neubauer, S.; Nielsen, J.; Nodulman, L.; Norman, M.; Norniella, O.; Nurse, E.; Oakes, L.; Oh, S. H.; Oh, Y. D.; Oksuzian, I.; Okusawa, T.; Orava, R.; Osterberg, K.; Pagan Griso, S.; Palencia, E.; Papadimitriou, V.; Papaikonomou, A.; Paramonov, A. A.; Parks, B.; Pashapour, S.; Patrick, J.; Pauletta, G.; Paulini, M.; Paus, C.; Peiffer, T.; Pellett, D. E.; Penzo, A.; Phillips, T. J.; Piacentino, G.; Pianori, E.; Pinera, L.; Pitts, K.; Plager, C.; Pondrom, L.; Poukhov, O.; Pounder, N.; Prakoshyn, F.; Pronko, A.; Proudfoot, J.; Ptohos, F.; Pueschel, E.; Punzi, G.; Pursley, J.; Rademacker, J.; Rahaman, A.; Ramakrishnan, V.; Ranjan, N.; Redondo, I.; Renton, P.; Renz, M.; Rescigno, M.; Richter, S.; Rimondi, F.; Ristori, L.; Robson, A.; Rodrigo, T.; Rodriguez, T.; Rogers, E.; Rolli, S.; Roser, R.; Rossi, M.; Rossin, R.; Roy, P.; Ruiz, A.; Russ, J.; Rusu, V.; Rutherford, B.; Saarikko, H.; Safonov, A.; Sakumoto, W. K.; Saltó, O.; Santi, L.; Sarkar, S.; Sartori, L.; Sato, K.; Savoy-Navarro, A.; Schlabach, P.; Schmidt, A.; Schmidt, E. E.; Schmidt, M. A.; Schmidt, M. P.; Schmitt, M.; Schwarz, T.; Scodellaro, L.; Scribano, A.; Scuri, F.; Sedov, A.; Seidel, S.; Seiya, Y.; Semenov, A.; Sexton-Kennedy, L.; Sforza, F.; Sfyrla, A.; Shalhout, S. Z.; Shears, T.; Shepard, P. F.; Shimojima, M.; Shiraishi, S.; Shochet, M.; Shon, Y.; Shreyber, I.; Sidoti, A.; Sinervo, P.; Sisakyan, A.; Slaughter, A. J.; Slaunwhite, J.; Sliwa, K.; Smith, J. R.; Snider, F. D.; Snihur, R.; Soha, A.; Somalwar, S.; Sorin, V.; Spalding, J.; Spreitzer, T.; Squillacioti, P.; Stanitzki, M.; St. Denis, R.; Stelzer, B.; Stelzer-Chilton, O.; Stentz, D.; Strologas, J.; Strycker, G. L.; Stuart, D.; Suh, J. S.; Sukhanov, A.; Suslov, I.; Suzuki, T.; Taffard, A.; Takashima, R.; Takeuchi, Y.; Tanaka, R.; Tecchio, M.; Teng, P. K.; Terashi, K.; Thom, J.; Thompson, A. S.; Thompson, G. A.; Thomson, E.; Tipton, P.; Ttito-Guzmán, P.; Tkaczyk, S.; Toback, D.; Tokar, S.; Tollefson, K.; Tomura, T.; Tonelli, D.; Torre, S.; Torretta, D.; Totaro, P.; Tourneur, S.; Trovato, M.; Tsai, S.-Y.; Tu, Y.; Turini, N.; Ukegawa, F.; Vallecorsa, S.; van Remortel, N.; Varganov, A.; Vataga, E.; Vázquez, F.; Velev, G.; Vellidis, C.; Vidal, M.; Vidal, R.; Vila, I.; Vilar, R.; Vine, T.; Vogel, M.; Volobouev, I.; Volpi, G.; Wagner, P.; Wagner, R. G.; Wagner, R. L.; Wagner, W.; Wagner-Kuhr, J.; Wakisaka, T.; Wallny, R.; Wang, S. M.; Warburton, A.; Waters, D.; Weinberger, M.; Weinelt, J.; Wester, W. C., III; Whitehouse, B.; Whiteson, D.; Wicklund, A. B.; Wicklund, E.; Wilbur, S.; Williams, G.; Williams, H. H.; Wilson, P.; Winer, B. L.; Wittich, P.; Wolbers, S.; Wolfe, C.; Wright, T.; Wu, X.; Würthwein, F.; Xie, S.; Yagil, A.; Yamamoto, K.; Yamaoka, J.; Yang, U. K.; Yang, Y. C.; Yao, W. M.; Yeh, G. P.; Yoh, J.; Yorita, K.; Yoshida, T.; Yu, G. B.; Yu, I.; Yu, S. S.; Yun, J. C.; Zanello, L.; Zanetti, A.; Zhang, X.; Zheng, Y.; Zucchelli, S.

    2009-05-01

    We present the first direct measurement of the W production charge asymmetry as a function of the W boson rapidity yW in p pmacr collisions at s=1.96TeV. We use a sample of W→eν events in data from 1fb-1 of integrated luminosity collected using the CDF II detector. In the region |yW|<3.0, this measurement is capable of constraining the ratio of up- and down-quark momentum distributions in the proton more directly than in previous measurements of the asymmetry that are functions of the charged-lepton pseudorapidity.

  20. Inclusive charged hadron elliptic flow in Au + Au collisions at sNN=7.7-39 GeV

    NASA Astrophysics Data System (ADS)

    Adamczyk, L.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alakhverdyants, A. V.; Alekseev, I.; Alford, J.; Anderson, B. D.; Anson, C. D.; Arkhipkin, D.; Aschenauer, E.; Averichev, G. S.; Balewski, J.; Banerjee, A.; Barnovska, Z.; Beavis, D. R.; Bellwied, R.; Betancourt, M. J.; Betts, R. R.; Bhasin, A.; Bhati, A. K.; Bichsel, H.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Borowski, W.; Bouchet, J.; Brandin, A. V.; Brovko, S. G.; Bruna, E.; Bültmann, S.; Bunzarov, I.; Burton, T. P.; Butterworth, J.; Cai, X. Z.; Caines, H.; Calderón de la Barca Sánchez, M.; Cebra, D.; Cendejas, R.; Cervantes, M. C.; Chaloupka, P.; Chang, Z.; Chattopadhyay, S.; Chen, H. F.; Chen, J. H.; Chen, J. Y.; Chen, L.; Cheng, J.; Cherney, M.; Chikanian, A.; Christie, W.; Chung, P.; Chwastowski, J.; Codrington, M. J. M.; Corliss, R.; Cramer, J. G.; Crawford, H. J.; Cui, X.; Davila Leyva, A.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derradi de Souza, R.; Dhamija, S.; Didenko, L.; Ding, F.; Dion, A.; Djawotho, P.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Elnimr, M.; Engelage, J.; Eppley, G.; Eun, L.; Evdokimov, O.; Fatemi, R.; Fazio, S.; Fedorisin, J.; Fersch, R. G.; Filip, P.; Finch, E.; Fisyak, Y.; Gagliardi, C. A.; Gangadharan, D. R.; Geurts, F.; Gibson, A.; Gliske, S.; Gorbunov, Y. N.; Grebenyuk, O. G.; Grosnick, D.; Gupta, S.; Guryn, W.; Haag, B.; Hajkova, O.; Hamed, A.; Han, L.-X.; Harris, J. W.; Hays-Wehle, J. P.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Hofman, D. J.; Horvat, S.; Huang, B.; Huang, H. Z.; Huck, P.; Humanic, T. J.; Huo, L.; Igo, G.; Jacobs, W. W.; Jena, C.; Joseph, J.; Judd, E. G.; Kabana, S.; Kang, K.; Kapitan, J.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Kesich, A.; Kettler, D.; Kikola, D. P.; Kiryluk, J.; Kisel, I.; Kisiel, A.; Kizka, V.; Klein, S. R.; Koetke, D. D.; Kollegger, T.; Konzer, J.; Koralt, I.; Koroleva, L.; Korsch, W.; Kotchenda, L.; Kravtsov, P.; Krueger, K.; Kulakov, I.; Kumar, L.; Lamont, M. A. C.; Landgraf, J. M.; LaPointe, S.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Leight, W.; LeVine, M. J.; Li, C.; Li, L.; Li, W.; Li, X.; Li, X.; Li, Y.; Li, Z. M.; Lima, L. M.; Lisa, M. A.; Liu, F.; Ljubicic, T.; Llope, W. J.; Longacre, R. S.; Lu, Y.; Luo, X.; Luszczak, A.; Ma, G. L.; Ma, Y. G.; Madagodagettige Don, D. M. M. D.; Mahapatra, D. P.; Majka, R.; Mall, O. I.; Margetis, S.; Markert, C.; Masui, H.; Matis, H. S.; McDonald, D.; McShane, T. S.; Mioduszewski, S.; Mitrovski, M. K.; Mohammed, Y.; Mohanty, B.; Mondal, M. M.; Morozov, B.; Munhoz, M. G.; Mustafa, M. K.; Naglis, M.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nogach, L. V.; Novak, J.; Odyniec, G.; Ogawa, A.; Oh, K.; Ohlson, A.; Okorokov, V.; Oldag, E. W.; Oliveira, R. A. N.; Olson, D.; Ostrowski, P.; Pachr, M.; Page, B. S.; Pal, S. K.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlak, T.; Pawlik, B.; Pei, H.; Perkins, C.; Peryt, W.; Pile, P.; Planinic, M.; Pluta, J.; Plyku, D.; Poljak, N.; Porter, J.; Poskanzer, A. M.; Powell, C. B.; Prindle, D.; Pruneau, C.; Pruthi, N. K.; Przybycien, M.; Pujahari, P. R.; Putschke, J.; Qiu, H.; Raniwala, R.; Raniwala, S.; Ray, R. L.; Redwine, R.; Reed, R.; Riley, C. K.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Ross, J. F.; Ruan, L.; Rusnak, J.; Sahoo, N. R.; Sakrejda, I.; Salur, S.; Sandacz, A.; Sandweiss, J.; Sangaline, E.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, B.; Schmitz, N.; Schuster, T. R.; Seele, J.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shao, M.; Sharma, B.; Sharma, M.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Singaraju, R. N.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Solanki, D.; Sorensen, P.; deSouza, U. G.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Steadman, S. G.; Stephans, G. S. F.; Stevens, J. R.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Suaide, A. A. P.; Suarez, M. C.; Sumbera, M.; Sun, X. M.; Sun, Y.; Sun, Z.; Surrow, B.; Svirida, D. N.; Symons, T. J. M.; Szanto de Toledo, A.; Takahashi, J.; Tang, A. H.; Tang, Z.; Tarini, L. H.; Tarnowsky, T.; Thein, D.; Thomas, J. H.; Tian, J.; Timmins, A. R.; Tlusty, D.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Trzeciak, B. A.; Tsai, O. D.; Turnau, J.; Ullrich, T.; Underwood, D. G.; Van Buren, G.; van Nieuwenhuizen, G.; Vanfossen, J. A., Jr.; Varma, R.; Vasconcelos, G. M. S.; Videbæk, F.; Viyogi, Y. P.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wada, M.; Wang, F.; Wang, G.; Wang, H.; Wang, J. S.; Wang, Q.; Wang, X. L.; Wang, Y.; Webb, G.; Webb, J. C.; Westfall, G. D.; Whitten, C., Jr.; Wieman, H.; Wissink, S. W.; Witt, R.; Witzke, W.; Wu, Y. F.; Xiao, Z.; Xie, W.; Xin, K.; Xu, H.; Xu, N.; Xu, Q. H.; Xu, W.; Xu, Y.; Xu, Z.; Xue, L.; Yang, Y.; Yang, Y.; Yepes, P.; Yi, Y.; Yip, K.; Yoo, I.-K.; Zawisza, M.; Zbroszczyk, H.; Zhang, J. B.; Zhang, S.; Zhang, W. M.; Zhang, X. P.; Zhang, Y.; Zhang, Z. P.; Zhao, F.; Zhao, J.; Zhong, C.; Zhu, X.; Zhu, Y. H.; Zoulkarneeva, Y.; Zyzak, M.

    2012-11-01

    A systematic study is presented for centrality, transverse momentum (pT), and pseudorapidity (η) dependence of the inclusive charged hadron elliptic flow (v2) at midrapidity (|η|<1.0) in Au+Au collisions at sNN=7.7, 11.5, 19.6, 27, and 39 GeV. The results obtained with different methods, including correlations with the event plane reconstructed in a region separated by a large pseudorapidity gap and four-particle cumulants (v2{4}), are presented to investigate nonflow correlations and v2 fluctuations. We observe that the difference between v2{2} and v2{4} is smaller at the lower collision energies. Values of v2, scaled by the initial coordinate space eccentricity, v2/ɛ, as a function of pT are larger in more central collisions, suggesting stronger collective flow develops in more central collisions, similar to the results at higher collision energies. These results are compared to measurements at higher energies at the Relativistic Heavy Ion Collider (sNN=62.4 and 200 GeV) and at the Large Hadron Collider (Pb+Pb collisions at sNN=2.76 TeV). The v2(pT) values for fixed pT rise with increasing collision energy within the pT range studied (<2GeV/c). A comparison to viscous hydrodynamic simulations is made to potentially help understand the energy dependence of v2(pT). We also compare the v2 results to UrQMD and AMPT transport model calculations, and physics implications on the dominance of partonic versus hadronic phases in the system created at beam energy scan energies are discussed.