WorldWideScience

Sample records for dynamic helium charging

  1. Charging dynamics of dopants in helium nanoplasmas

    DEFF Research Database (Denmark)

    Heidenreich, Andreas; Grüner, Barbara; Schomas, Dominik

    2017-01-01

    We present a combined experimental and theoretical study of the charging dynamics of helium nanodroplets doped with atoms of different species and irradiated by intense near-infrared laser pulses (≤1015 W cm−2). In particular, we elucidate the interplay of dopant ionization inducing the ignition...... of a helium nanoplasma, and the charging of the dopant atoms driven by the ionized helium host. Most efficient nanoplasma ignition and charging is found when doping helium droplets with xenon atoms, in which case high charge states of both helium (He2+) and of xenon (Xe21+) are detected. In contrast, only low...... charge states of helium and dopants are measured when doping with potassium and calcium atoms. Classical molecular dynamics simulations which include focal averaging generally reproduce the experimental results and provide detailed insights into the correlated charging dynamics of guest and host clusters....

  2. Charging dynamics of dopants in helium nanoplasmas

    OpenAIRE

    Heidenreich, Andreas; Grüner, Barbara; Schomas, Dominik; Stienkemeier, Frank; Krishnan, Siva Rama; Mudrich, Marcel

    2016-01-01

    We present a combined experimental and theoretical study of the charging dynamics of helium nanodroplets doped with atoms of different species and irradiated by intense near-infrared (NIR) laser pulses (

  3. Effect of dynamically charged helium on tensile properties of V-4Cr-4Ti

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Loomis, B.A.; Nowicki, L.; Smith, D.L. [Argonne National Lab., IL (United States)

    1995-04-01

    The objective of this work is to determine the effect of displacement damage and dynamically charged helium on tensile properties of V-4Cr-4Ti alloy irradiated to 18-31 dpa at 425-600{degree}C in the Dynamic Helium Charging Experiment (DHCE).

  4. Density decrease in vanadium-base alloys irradiated in the dynamic helium charging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Galvin, T.M.; Smith, D.L. [Argonne National Laboratory, Chicago, IL (United States)

    1996-04-01

    Combined effects of dynamically charged helium and neutron damage on density decrease (swelling) of V-4Cr-4Ti, V-5Ti, V-3Ti-1Si, and V-8Cr-6Ti alloys have been determined after irradiation to 18-31 dpa at 425-600{degrees}C in the Dynamic helium Charging Experiment (DHCE). To ensure better accuracy in density measurement, broken pieces of tensile specimens {approx} 10 times heavier than a transmission electron microscopy (TEM) disk were used. Density increases of the four alloys irradiated in the DHCE were <0.5%. This small change seems to be consistent with the negligible number density of microcavities characterized by TEM. Most of the dynamically produced helium atoms seem to have been trapped in the grain matrix without significant cavity nucleation or growth.

  5. Ductile-brittle transition behavior of V-4Cr-4Ti irradiated in the dynamic helium charging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Nowicki, L.J.; Busch, D.E. [Argonne National Lab., Chicago, IL (United States)] [and others

    1995-04-01

    The objective of this work is to determine the effect of simultaneous displacement damage and dynamically charged helium on the ductile-brittle transition behavior of V-4Cr-4Ti specimens irradiated to 18-31 dpa at 425-600{degrees}C in the Dynamic Helium Charging Experiment (DHCE).

  6. Void structure and density change of vanadium-base alloys irradiated in the dynamic helium charging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Nowicki, L.; Gazda, J. [Argonne National Lab., Chicago, IL (United States)] [and others

    1995-04-01

    The objective of this work is to determine void structure, distribution, and density changes of several promising vanadium-base alloys irradiated in the Dynamic Helium Charging Experiment (DHCE). Combined effects of dynamically charged helium and neutron damage on density change, void distribution, and microstructural evolution of V-4Cr-4Ti alloy have been determined after irradiation to 18-31 dpa at 425-600{degree}C in the DHCE, and the results compared with those from a non-DHCE in which helium generation was negligible.

  7. Feasibility of conducting a dynamic helium charging experiment for vanadium alloys in the advanced test reactor

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, H.; Gomes, I.; Strain, R.V.; Smith, D.L. [Argonne National Lab., IL (United States); Matsui, H. [Tohoku Univ. (Japan)

    1996-10-01

    The feasibility of conducting a dynamic helium charging experiment (DHCE) for vanadium alloys in the water-cooled Advanced Test Reactor (ATR) is being investigated as part of the U.S./Monbusho collaboration. Preliminary findings suggest that such an experiment is feasible, with certain constraints. Creating a suitable irradiation position in the ATR, designing an effective thermal neutron filter, incorporating thermocouples for limited specimen temperature monitoring, and handling of tritium during various phases of the assembly and reactor operation all appear to be feasible. An issue that would require special attention, however, is tritium permeation loss through the capsule wall at the higher design temperatures (>{approx}600{degrees}C). If permeation is excessive, the reduced amount of tritium entering the test specimens would limit the helium generation rates in them. At the lower design temperatures (<{approx}425{degrees}C), sodium, instead of lithium, may have to be used as the bond material to overcome the tritium solubility limitation.

  8. Subtask 12G2: Effects of dynamically charged helium on tensile properties of V-4Cr-4Ti

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Loomis, B.A.; Nowicki, L.; Smith, D.L. [Argonne National Lab., IL (United States)

    1995-03-01

    The objective of this work is to determine the effect of displacement damage and dynamically charged helium on tensile properties of V-4Cr-4Ti alloy irradiated to 18-31 dpa at 425-600{degrees}C in the Dynamic Helium Charging Experiment (DHCE). One property of vanadium-base alloys that is not well understood in terms of their potential use as fusion reactor structural materials is the effect of simultaneous generation of helium and neutron damage under conditions relevant to fusion reactor operation. In the present Dynamic Helium Charging Experiment (DHCE), helium was produced uniformly in the specimen at linear rates of {approx}0.4 to 4.2 appm helium/dpa by the decay of tritium during irradiation to 18-31 dpa at 425-600{degrees}C in the Li-filled DHCE capsules in the Fast Flux Test Facility. This report presents results of postirradiation tests of tensile properties of V-4Cr-4Ti, an alloy identified as the most promising vanadium-base alloy for fusion reactors on the basis of its superior baseline and irradiation properties. Effects of helium on tensile strength and ductility were insignificant after irradiation and testing at >420{degrees}C. Contrary to initial expectation, room-temperature ductilities of DHCE specimens were higher than those of non-DHCE specimens (in which there was negligible helium generation), whereas strengths were lower, indicating that different types of hardening centers are produced during DHCE and non-DHCE irradiation. In strong contrast to tritium-trick experiments in which dense coalescence of helium bubbles is produced on grain boundaries in the absence of displacement damage, no intergranular fracture was observed in any tensile specimens irradiated in the DHCE. 25 refs., 2 figs., 3 tabs.

  9. Subtask 12H2: Status of the dynamic helium charging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, H.; Strain, R.V.; Chung, H.M.; Smith, D.L. [Argonne National Lab., IL (United States)

    1995-03-01

    The objective of the dynamic helium charging experiment (DHCE) is to investigate the effects of concurrent helium production and fast-neutron irradiation on the physical and mechanical properties of vanadium-based alloys for fusion blanket applications. A major task in this reporting period was to disassemble the tritium-bearing DHCE capsules to retrieve irradiated specimens for examination and testing. Seven DHCE capsules containing vanadium-alloy specimens were irradiated in the MOTA-2B vehicle in FFTF to {approx}20-29 dpa. In this and the previous reporting periods, equipment and procedures were developed at Argonne National Laboratory-East to disassemble these capsules. Six of the seven capsules have been disassembled. (The seventh capsule was processed in April 1994, immediately following this reporting period.) Effluence of tritium into the cell exhaust was <2% of the total inventory. No contamination incidents occurred during the DHCE disassembly work. Initial testing of the retrieved specimens is under way. 3 refs., 1 fig., 1 tab.

  10. Subtask 12G1: Effects of dynamically charged helium on swelling and microstructure of vanadium-base alloys

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Nowicki, L.; Gazda, J.; Smith, D.L. [Argonne National Lab., IL (United States)

    1995-03-01

    The objective of this work is to determine void structure, distribution, and density changes of several vanadium-base alloys irradiated in the Dynamic Helium Charging Experiment (DHCE). Combined effects of dynamically charged helium and neutron damage on density change, void distribution, and microstructural evolution of V-4Cr-4Ti alloy have been determined after irradiation to 18-31 dpa at 425-600{degrees}C in the DHCE, and the results compared with those from a non-DHCE in which helium generation was negligible. For specimens irradiated to {approx}18-31 dpa at 500-600{degrees}C with a helium generation rate of 0.4-4.2 appm He/dpa, only a few helium bubbles were observed at the interface of grain matrices and some of the Ti(O,N,C) precipitates, and no microvoids or helium bubbles were observed either in grain matrices or near grain boundaries. Under these conditions, dynamically produced helium atoms seem to be trapped in the grain matrix without significant bubble nucleation or growth, and in accordance with this, density changes from DHCE and non-DHCE (negligible helium generation) were similar for comparable fluence and irradiation temperature. Only for specimens irradiated to {approx}31 dpa at 425{degrees}C, when helium was generated at a rate of 0.4-0.8 appm helium/dpa, were diffuse helium bubbles observed in limited regions of grain matrices and near {approx}15% of the grain boundaries in densities significantly lower than those in the extensive coalescences of helium bubbles typical of other alloys irradiated in tritium-trick experiments. Density changes of specimens irradiated at 425{degrees}C in the DHCE were significantly higher than those from non-DHCE irradiation. Microstructural evolution in V-4Cr-4Ti was similar for DHCE and non-DHCE except for helium bubble number density and distribution. As in non-DHCE, the irradiation-induced precipitation of ultrafine Ti{sub 5}Si{sub 3} was observed for DHCE at >500{degrees}C but not at 425{degrees}C.

  11. Properties of V-(8-9)Cr-(5-6)Ti alloys irradiated in the dynamic helium charging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Nowicki, L.; Smith, D.L. [Argonne National Lab., IL (United States)

    1996-10-01

    In the Dynamic Helium Charging Experiment (DHCE), helium was produced uniformly in vanadium alloy specimens by the decay of tritium during irradiation to 18-31 dpa at 425-600{degrees}C in lithium-filled capsules in the Fast Flux Test Facility. This report presents results of postirradiation tests of tensile properties and density change in V-8Cr-6Ti and V-9Cr-5Ti. Compared to tensile properties of the alloys irradiated in the non-DHCE (helium generation negligible), the effect of helium on tensile strength and ductility of V-8Cr-6Ti and V-9Cr-5Ti was insignificant after irradiation and testing at 420, 500, and 600{degrees}C. Both alloys retained a total elongation of >11 % at these temperatures. Density change was <0.48% for both alloys.

  12. Subtask 12G3: Fracture properties of V-4Cr-4Ti irradiated in the dynamic helium charging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Nowicki, L.J.; Busch, D.E.; Smith, D.L. [Argonne National Lab., IL (United States)

    1995-03-01

    The objective of this work is to determine the effect of simultaneous displacement damage and dynamically charged helium on the ductile-brittle transition behavior of V-4Cr-4Ti specimens irradiated to 18-31 dpa at 425-600{degrees}C in the Dynamic Helium Charging Experiment (DHCE). One property of vanadium-base alloys that is not well understood in terms of their potential use as fusion reactor structural materials is the effect of simultaneous generation of helium and neutron damage under conditions relevant to fusion reactor operation. In the present DHCE, helium was produced uniformly in the specimen at linear rates ranging from {approx}0.4 to 4.2 appm helium/dpa by the decay of tritium during irradiation to 18-31 dpa at 425-600{degrees}C in Li-filled DHCE capsules in the Fast Flux Test Facility. Ductile-brittle transition behavior of V-4Cr-4Ti, recently identified as the most promising vanadium-base alloy for fusion reactor use, was determined from multiple-bending tests (at -196{degrees}C to 50{degrees}C) and quantitative SEM fractography on TEM disks (0.3-mm thick) and broken tensile specimens (1.0-mm thick). No brittle behavior was observed at temperatures >-150{degrees}C, and predominantly brittle-cleavage fracture morphologies were observed only at -196{degrees}C in some specimens irradiated to 31 dpa at 425{degrees}C during DHCE. Ductile-brittle transition temperatures (DBTTs) were -200{degrees}C to -175{degrees}C for both types of specimens. In strong contrast to tritium-trick experiments in which dense coalescence of helium bubbles is produced on grain boundaries in the absence of displacement damage, no intergranular fracture was observed in the bend-tested specimens irradiated in the DHCE. 24 refs., 3 figs., 2 tabs.

  13. Charged Condensate and Helium Dwarf Stars

    CERN Document Server

    Gabadadze, Gregory

    2008-01-01

    White dwarf stars composed of carbon, oxygen or heavier elements are expected to crystallize as they cool down below certain temperatures. Yet, simple arguments suggest that the helium white dwarf cores may not solidify, mostly because of zero-point oscillations of the helium ions that would dissolve the crystalline structure. We argue that the interior of the helium dwarfs may instead form a macroscopic quantum state in which the charged helium-4 nuclei are in a Bose-Einstein condensate, while the relativistic electrons form a neutralizing degenerate Fermi liquid. We discuss the electric charge screening, and the spectrum of this substance, showing that the bosonic long-wavelength fluctuations exhibit a mass gap. Hence, there is a suppression at low temperatures of the boson contribution to the specific heat -- the latter being dominated by the specific heat of the electrons near the Fermi surface. This state of matter may have observational signatures.

  14. Effect of dynamically charged helium on tensile properties of V-5Ti, V-4Cr-4Ti, and V-3Ti-1Si

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Loomis, B.A.; Nowicki, L.; Smith, D.L. [Argonne National Laboratory, Chicago, IL (United States)

    1996-04-01

    In the Dynamic Helium Charging Experiment (DHCE), helium was produced uniformly in the specimen at linear rates of {approx}0.4 to 4.2 appm He/dpa by the decay of tritium during irradiation to 18-31 dpa at 424-600{degrees}C in the lithium-filled DHCE capsules in the Fast Flux Test Facility. This report presents results of postirradiation tests of tensile properties of V-5Ti, V-4Cr-4Ti, V-3Ti-1Si. The effect of helium on tensile strength and ductility was insignificant after irradiation and testing at >420{degrees}C. Contrary to initial expectation, room temperature ductility of DHCE specimens was higher than that on non-DHCE specimens, whereas strength was lower, indicating that different types of hardening centers are produced during DHCE and non-DHCE irradiation. In strong contrast to results of tritium-trick experiments, in which dense coalescence of helium bubbles is produced on grain boundaries in the absence of displacement damage, no intergranular fracture was observed in any tensile specimens irradiated in the DHCE.

  15. Charged-Surface Instability Development in Liquid Helium; Exact Solutions

    CERN Document Server

    Zubarev, N M

    2000-01-01

    The nonlinear dynamics of charged-surface instability development was investigated for liquid helium far above the critical point. It is found that, if the surface charge completely screens the field above the surface, the equations of three-dimensional (3D) potential motion of a fluid are reduced to the well-known equations describing the 3D Laplacian growth process. The integrability of these equations in 2D geometry allows the analytic description of the free-surface evolution up to the formation of cuspidal singularities at the surface.

  16. Charge and Energy Dependences of Ionization and Transfer for Helium in Collisions with Fast Charged Projectiles

    Institute of Scientific and Technical Information of China (English)

    FU Hong-Bin; WANG Bao-Hong; DING Bao-Wei; LIU Zhao-Yuan

    2009-01-01

    The classical method within the independent electron model is employed to investigate (i) charge dependences of single and double ionization for helium by various charged ions Aq+ (q = 1 - 8) at impact energies of 0.64 and 1.44 MeV/u, respectively, (ii) energy dependences of transfer ionization for helium by 0.5-3 MeV/u A8,9+ ions impact. The Lenz-Jensen model of the atom is applied instead of the Bohr model of the atom, and the impact-parameter dependences are also introduced into the calculations. Satisfactory agreement is found between theoretical and experimental data.

  17. Effective potentials for charge-helium and charge-singly-ionized helium interactions in a dense plasma

    Energy Technology Data Exchange (ETDEWEB)

    Ramazanov, T.S.; Amirov, S.M.; Moldabekov, Zh.A. [Institute for Experimental and Theoretical Physics, Al-Farabi Kazakh National University, Almaty (Kazakhstan)

    2016-06-15

    The effective electron (proton)-He and electron (proton)-He{sup +} screened pair interaction potentials arising as a result of partial screening of the helium nucleus field by bound electrons, taking into account both screening by free charged particles and quantum diffraction effect in dense plasmas were derived. The impact of quantum effects on screening was analyzed. It was shown that plasma polarization around the atom leads to the additional repulsion (attraction) between the electron (proton) and the helium atom. The method of constructing the full electron (proton)-He and electron (proton)-He{sup +} screened pair interaction potentials as the sum of the derived potentials with the polarization potential and exchange potential is discussed. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Molecular Dynamics Simulations of Helium Behaviour in Titanium Crystals

    Institute of Scientific and Technical Information of China (English)

    SUN Tie-Ying; LONG Xing-Gui; WANG Jun; HOU Qing; WU Zhong-Cheng; PENG Shu-Ming; LUO Shun-Zhong

    2008-01-01

    Molecular dynamics simulations are performed to investigate the behaviour of helium atoms in titanium at a temperature of 300 K.The nucleation and growth of helium bubble has been simulated up to 50 helium atoms.The approach to simulate the bubble growth is to add helium atoms one by one to the bubble and let the system evolve.The titanium cohesion is based on the tight binding scheme derived from the embedded atom method,and the helium-titanium interaction is characterized by fitted potential in the form of a Lennard-Jones function.The pressure in small helium bubbles is approximately calculated.The simulation results show that the pressure will decrease with the increasing bubble size,while increase with the increasing helium atoms.An analytic function about the quantitative relationship of the pressure with the bubble size and number of helium atoms is also fitted.

  19. Molecular dynamics study of helium bubble pressure in titanium

    Institute of Scientific and Technical Information of China (English)

    Zhang Bao-Ling; Wang Jun; Hou Qing

    2011-01-01

    In this paper, the pressure state of the helium bubble in titanium is simulated by a molecular dynamics (MD) method. First, the possible helium/vacancy ratio is determined according to therelation between the bubble pressure and helium/vacancy ratio; then the dependences of the helium bubble pressure on the bubble radius at different temperatures are studied. It is shown that the product of the bubble pressure and the radius is approximately a constant, a result justifying the pressure-radius relation predicted by thermodynamics-based theory for gas bubble. Furthermore, a state equation of the helium bubble is established based on the MD calculations. Comparison between the results obtained by the state equation and corresponding experimental data shows that the state equation can describe reasonably the state of helium bubble and thus could be used for Monte Carlo simulations of the evolution of helium bubble in metals.

  20. Wave packet dynamics of potassium dimers attached to helium nanodroplets

    OpenAIRE

    Claas, P.; Droppelmann, G.; Schulz, C. P.; Mudrich, M.; Stienkemeier, F.

    2006-01-01

    The dynamics of vibrational wave packets excited in K$_2$ dimers attached to superfluid helium nanodroplets is investigated by means of femtosecond pump-probe spectroscopy. The employed resonant three-photon-ionization scheme is studied in a wide wavelength range and different pathways leading to K$^+_2$-formation are identified. While the wave packet dynamics of the electronic ground state is not influenced by the helium environment, perturbations of the electronically excited states are obs...

  1. Molecular dynamics study of helium bubble pressure in titanium

    Science.gov (United States)

    Zhang, Bao-Ling; Wang, Jun; Hou, Qing

    2011-03-01

    In this paper, the pressure state of the helium bubble in titanium is simulated by a molecular dynamics (MD) method. First, the possible helium/vacancy ratio is determined according to therelation between the bubble pressure and helium/vacancy ratio; then the dependences of the helium bubble pressure on the bubble radius at different temperatures are studied. It is shown that the product of the bubble pressure and the radius is approximately a constant, a result justifying the pressure-radius relation predicted by thermodynamics-based theory for gas bubble. Furthermore, a state equation of the helium bubble is established based on the MD calculations. Comparison between the results obtained by the state equation and corresponding experimental data shows that the state equation can describe reasonably the state of helium bubble and thus could be used for Monte Carlo simulations of the evolution of helium bubble in metals. Project supported by the National Natural Science Foundation of China (Grant No. 10775101) and National Magnetic Confinement Fusion Program of China (Grant No. 2009GB106004).

  2. Charge stripping of U238 ion beam by helium gas stripper

    Science.gov (United States)

    Imao, H.; Okuno, H.; Kuboki, H.; Yokouchi, S.; Fukunishi, N.; Kamigaito, O.; Hasebe, H.; Watanabe, T.; Watanabe, Y.; Kase, M.; Yano, Y.

    2012-12-01

    Development of a nondestructive, efficient electric-charge-stripping method is a key requirement for next-generation high-intensity heavy-ion accelerators such as the RIKEN Radioactive-Isotope Beam Factory. A charge stripper employing a low-Z gas is an important candidate applicable to high-intensity uranium beams for replacing carbon-foil strippers. In this study, a high-beam-transmission charge-stripping system employing helium gas for U238 beams injected at 10.8MeV/u was developed and demonstrated for the first time. The charge-state evolution measured using helium in a thickness range of 0.24-1.83mg/cm2 is compared with theoretical predictions. Energy attenuation and energy spread due to the helium stripper are also investigated.

  3. Charge state studies of low energy heavy ions passing through hydrogen and helium gas

    CERN Document Server

    Liu, W; Buchmann, L; Chen, A A; D'Auria, J M; D'Onofrio, A; Engel, S; Gialanella, L; Greife, U; Hunter, D; Hussein, A; Hutcheon, D A; Olin, A; Ottewell, D; Rogalla, D; Rogers, J; Romano, M; Roy, G; Terrasi, F

    2003-01-01

    Studies of the charge state distribution of low energy (<1.5 MeV/u), low Z (<13) heavy ions passing through hydrogen and helium gas of varying target pressure have been performed using separate windowless gas target systems at TRIUMF and the University of Naples. Semi-empirical relationships have been deduced to estimate the equilibrium charge state distributions as a function of beam energy. From these distributions, cross-sections for the relevant charge changing reactions have been deduced.

  4. Dynamic simulator of helium refrigeration system; Hemiumu reitoki doteki shumyureta

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimura, H.; Mori, M.; Miyake, A. [Ishikawajima-Harima Heavy Industries Co., Ltd., Tokyo (Japan)

    1999-06-07

    The helium refrigerator has various operation modes. Therefore, it is insufficient for developing the refrigerating machine only by the static simulator, which simulates only one design point. It is necessary to carry out the design, which can deal with the change of the operation mode and construction of the appropriate controllability of the system. The construction of the dynamic simulator is required in the reason. This time, the heat exchanger in the helium refrigerator cool-down was unsteadily analyzed, and it was compared with the measured value. (NEDO)

  5. Simulation of Helium Behaviour in Titanium Crystals Using Molecular Dynamics

    Institute of Scientific and Technical Information of China (English)

    WANG Jun; HOU Qing; SUN Tie-Ying; WU Zhong-Cheng; LONG Xing-Gui; WU Xing-Chun; LUO Shun-Zhong

    2006-01-01

    @@ The behaviour of helium in Ti crystals at 300 K has been investigated by means of the molecular dynamics. The study is focused on the influences of He-Ti interaction on the aggregation of helium atoms in the substrate. When a Born-Mayer potential is used to describe the He-Ti interaction, the He atoms are unable to cluster with each other due to the weak bridge barrier that cannot trap the helium atoms, Whereas using a He-Ti potential that is constructed by fitting the ab initio pairwise He-Ti potential, the clustering of He atoms can be observed. The results indicate that suitable He-Ti potential plays an important role in the formation of He clusters in metals.Moreover, it is noted that the shape of the formed He cluster is irregular, and the produced defect prefers to congregating on one side of the He cluster rather than spreading symmetrically around it.

  6. Nanotube-based source of charges for experiments with solid helium at low temperatures

    Science.gov (United States)

    Borisenko, D. N.; Walmsley, P. M.; Golov, A. I.; Kolesnikov, N. N.; Kotov, Yu. V.; Levchenko, A. A.; Mezhov-Deglin, L. P.; Fear, M. J.

    2015-07-01

    Methods of preparation of the field-emission sources of charges from carbon nanotubes suitable for study of injected charges in solid helium at low temperatures T nanotubes onto a flat copper substrate or by mechanical rubbing of nanotubes into porous metal surface. The test study of the voltage-current characteristics of a diode cell with the nanotube source in superfluid He II have shown that at voltages above 120 V one can observe a relatively large current I ≥ 10-13 A of negative charges in liquid helium. The field and temperature dependences of positive and negative currents in solid 4He were studied in samples grown by the blocked capillary technique. Usage of the nanotube based source of injected charges had permitted us for the first time to observe motion of the positive charges in solid helium at temperatures below 0.1 K. The current-voltage dependence could be described by a power law I ˜Uα , with the value of the exponent α ≫ 2, much higher than what one would expect for the regime of space charge limited currents.

  7. Longitudinal Lelectroproduction of Charged Pions on Hydrogen, Deuterium, and Helium 3

    Energy Technology Data Exchange (ETDEWEB)

    Gaskell, David [Oregon State Univ., Corvallis, OR (United States)

    2001-03-22

    Conventional pictures of nuclear interactions, in which the pion mediates the long/medium range part of the nuclear force, predict an enhancement of the virtual pion cloud in nuclei relative to that in the free nucleon. Jefferson Lab Experiment E91003 measured charged pion electroproduction from Hydrogen, Deuterium, and Helium-3. The longitudinal cross section, which in the limit of pole dominance can be viewed as the quasifree knockout of a virtual pion, was extracted via a Rosenbluth separation. The longitudinal cross sections from Deuterium and Helium-3 were compared to Hydrogen to look for signatures of the nuclear pions.

  8. Longitudinal Lelectroproduction of Charged Pions on Hydrogen, Deuterium, and Helium 3

    Energy Technology Data Exchange (ETDEWEB)

    David Gaskell

    2001-05-01

    Conventional pictures of nuclear interactions, in which the pion mediates the long/medium range part of the nuclear force, predict an enhancement of the virtual pion cloud in nuclei relative to that in the free nucleon. Jefferson Lab Experiment E91003 measured charged pion electroproduction from Hydrogen, Deuterium, and Helium-3. The longitudinal cross section, which in the limit of pole dominance can be viewed as the quasifree knockout of a virtual pion, was extracted via a Rosenbluth separation. The longitudinal cross sections from Deuterium and Helium-3 were compared to Hydrogen to look for signatures of the nuclear pions.

  9. Charge state distributions and charge exchange cross sections of carbon in helium at 30-258 keV

    Science.gov (United States)

    Maxeiner, Sascha; Seiler, Martin; Suter, Martin; Synal, Hans-Arno

    2015-10-01

    With the introduction of helium stripping in radiocarbon (14C) accelerator mass spectrometry (AMS), higher +1 charge state yields in the 200 keV region and fewer beam losses are observed compared to nitrogen or argon stripping. To investigate the feasibility of even lower beam energies for 14C analyses the stripping characteristics of carbon in helium need to be further studied. Using two different AMS systems at ETH Zurich (myCADAS and MICADAS), ion beam transmissions of carbon ions for the charge states -1, +1, +2 and +3 were measured in the range of 258 keV down to 30 keV. The correction for beam losses and the extraction of charge state yields and charge exchange cross sections will be presented. An increase in population of the +1 charge state towards the lowest measured energies up to 75% was found as well as agreement with previous data from literature. The findings suggest that more compact radiocarbon AMS systems are possible and could provide even higher efficiency than current systems operating in the 200 keV range.

  10. Photoionization Dynamics in Pure Helium Droplets

    Energy Technology Data Exchange (ETDEWEB)

    Peterka, Darcy S.; Kim, Jeong Hyun; Wang, Chia C.; Poisson,Lionel; Neumark, Daniel M.

    2007-02-04

    The photoionization and photoelectron spectroscopy of pure He droplets are investigated at photon energies between 24.6 eV (the ionization energy of He) and 28 eV. Time-of-flight mass spectra and photoelectron images were obtained at a series of molecular beam source temperatures and pressures to assess the effect of droplet size on the photoionization dynamics. At source temperatures below 16 K, the photoelectron images are dominated by fast electrons produced via direct ionization of He atoms, with a small contribution from very slow electrons with kinetic energies below 1 meV arising from an indirect mechanism. The fast photoelectrons have as much as 0.5 eV more kinetic energy than those from atomic He at the same photon energy. This result is interpreted and simulated within the context of a 'dimer model', in which one assumes vertical ionization from two nearest neighbor He atoms to the attractive region of the He2+ potential energy curve. Possible mechanism for the slow electrons, which were also seen at energies below IE(He), are discussed, including vibrational autoionizaton of Rydberg states comprising an electron weakly bound to the surface of a large HeN+ core.

  11. Fission of Multiply Charged Cesium and Potassium Clusters in Helium Droplets - Approaching the Rayleigh Limit

    OpenAIRE

    Renzler, Michael; Harnisch, Martina; Daxner, Matthias; Kranabetter, Lorenz; Kuhn, Martin; Scheier, Paul; Echt, Olof

    2016-01-01

    Electron ionization of helium droplets doped with cesium or potassium results in doubly and, for cesium, triply charged cluster ions. The smallest observable doubly charged clusters are $Cs_{9}^{2+}$ and $K_{11}^{2+}$; they are a factor two smaller than reported previously. The size of potassium dications approaches the Rayleigh limit nRay for which the fission barrier is calculated to vanish, i.e. their fissilities are close to 1. Cesium dications are even smaller than nRay, implying that th...

  12. Using Helium as a Tracer of Dynamic Rock Deformation

    Science.gov (United States)

    Gardner, W. P.; Bauer, S. J.

    2016-12-01

    We present models of noble gas release from rocks undergoing triaxial deformation and eventual macroscopic failure. Using a newly developed analytical capability, we have shown that accumulated helium in immobile porosity and mineral grains is released during deformation. We observe that increases in gas release are evident before macroscopic failure of the specimen, with a sharp increase in gas release during macroscopic failure. Here, we develop dynamic dual permeability models which simulate dynamic permeability generation and fracture-matrix surface area creation during deformation. These models are then used to interpret our new signal, and explore the sensitivity of the signal to rock deformation characteristics. The gas release signal is a combination of dynamic permeability creation and an increase in surface area for matrix diffusion as new microcracks intersect gas laden intra and inter crystalline pores. Gas release during dilation and rock failure is controlled by permeability increases. The sharp increase in gas release during failure is the result of permeability creation during fracturing. Fracture surface area creation is responsible for higher helium release rates after fracturing and controls the long term helium release signal. Our results indicate that radiogenic noble release can be used to monitor and trace mechanical deformation of rocks. This new signal can be used to provide information on the characteristics of deformation, including fracture permeability and surface area. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Dept. of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. SAND2016-7445 A

  13. Molecular Dynamics Simulations of helium Behaviour in Copper Crystals

    Institute of Scientific and Technical Information of China (English)

    王玲; 宁西京

    2003-01-01

    Molecular dynamics simulations are performed to investigate the behaviour of helium atoms generated from tritium decay in perfect Cu crystals at 300K. At the early stage just after a 3He atom generation, the lattice structure is badly deformed and the local temperature rises considerably above 300 K. Single 3He atom diffuses by interstitial paths, whereas two 3He atoms attract each other and can form a stable dimer, which pushes a Cu atom out of its original lattice site and occupies the vacancy. This dimer can catch another 3He atom and form a trimer with an equilateral triangular structure.

  14. Electron dynamics and plasma jet formation in a helium atmospheric pressure dielectric barrier discharge jet

    Energy Technology Data Exchange (ETDEWEB)

    Algwari, Q. Th. [Centre for Plasma Physics, School of Maths and Physics, Queen' s University Belfast, University Road, Belfast, Northern Ireland BT7 1NN (United Kingdom); Electronic Department, College of Electronics Engineering, Mosul University, Mosul 41002 (Iraq); O' Connell, D. [Centre for Plasma Physics, School of Maths and Physics, Queen' s University Belfast, University Road, Belfast, Northern Ireland BT7 1NN (United Kingdom); York Plasma Institute, Department of Physics, University of York, York YO10 5DD (United Kingdom)

    2011-09-19

    The excitation dynamics within the main plasma production region and the plasma jets of a kHz atmospheric pressure dielectric barrier discharge (DBD) jet operated in helium was investigated. Within the dielectric tube, the plasma ignites as a streamer-type discharge. Plasma jets are emitted from both the powered and grounded electrode end; their dynamics are compared and contrasted. Ignition of these jets are quite different; the jet emitted from the powered electrode is ignited with a slight time delay to plasma ignition inside the dielectric tube, while breakdown of the jet at the grounded electrode end is from charging of the dielectric and is therefore dependent on plasma production and transport within the dielectric tube. Present streamer theories can explain these dynamics.

  15. Fission of Multiply Charged Cesium and Potassium Clusters in Helium Droplets - Approaching the Rayleigh Limit

    CERN Document Server

    Renzler, Michael; Daxner, Matthias; Kranabetter, Lorenz; Kuhn, Martin; Scheier, Paul; Echt, Olof

    2016-01-01

    Electron ionization of helium droplets doped with cesium or potassium results in doubly and, for cesium, triply charged cluster ions. The smallest observable doubly charged clusters are $Cs_{9}^{2+}$ and $K_{11}^{2+}$; they are a factor two smaller than reported previously. The size of potassium dications approaches the Rayleigh limit nRay for which the fission barrier is calculated to vanish, i.e. their fissilities are close to 1. Cesium dications are even smaller than nRay, implying that their fissilities have been significantly overestimated. Triply charged cesium clusters as small as $Cs_{19}^{3+}$ are observed; they are a factor 2.6 smaller than previously reported. Mechanisms that may be responsible for enhanced formation of clusters with high fissilities are discussed.

  16. Fission of multiply charged alkali clusters in helium droplets - approaching the Rayleigh limit.

    Science.gov (United States)

    Renzler, Michael; Harnisch, Martina; Daxner, Matthias; Kranabetter, Lorenz; Kuhn, Martin; Scheier, Paul; Echt, Olof

    2016-04-21

    Electron ionization of helium droplets doped with sodium, potassium or cesium results in doubly and, for cesium, triply charged cluster ions. The smallest observable doubly charged clusters are Na9(2+), K11(2+), and Cs9(2+); they are a factor two to three smaller than reported previously. The size of sodium and potassium dications approaches the Rayleigh limit nRay for which the fission barrier is calculated to vanish, i.e. their fissilities are close to 1. Cesium dications are even smaller than nRay, implying that their fissilities have been significantly overestimated. Triply charged cesium clusters as small as Cs19(3+) are observed; they are a factor 2.6 smaller than previously reported. Mechanisms that may be responsible for enhanced formation of clusters with high fissilities are discussed.

  17. Helium-Charged Titanium Films Deposited by Pulsed Laser Deposition in an Electron-Cyclotron-Resonance Helium Plasma Environment

    Institute of Scientific and Technical Information of China (English)

    金钦华; 胡佩钢; 凌浩; 吴嘉达; 施立群; 周筑颖

    2003-01-01

    Titanium thin films incorporated with helium are produced by pulsed laser deposition in an electron cyclotron resonance helium plasma environment. Helium is distributed evenly in the film and a relatively high He/Ti atomic ratio (~ 20%) is obtained from the proton backscattering spectroscopy. This high concentration ofhelium leads to a surface blistering which is observed by scanning electron microscopy. Laser repetition rate has little influence on film characters. Substrate bias voltage is also changed for the helium incorporating mechanism study, and this is a helium ion implantation process during the film growth. Choosing suitable substrate bias voltage, one can avoid the damage produced by ion implantation, which is always present in general implantation case.

  18. Laser spectroscopy of antiprotonic helium and stringent constraint on the antiproton charge and mass

    CERN Document Server

    Hayano, R S; Von Egidy, T; Hartmann, F J; Hori, Masaki; Horváth, D; Ishikawa, T; Ketzer, B; Kumakura, M; Maierl, C; Morita, N; Pohl, R; Sugai, I; Torii, H A; Widmann, E; Yamazaki, T

    2000-01-01

    The antiprotonic helium atom-molecule (atomcule in short), pe/sup -/ He/sup 2+/=pHe/sup +/, first discovered at KEK and studied in detail at LEAR, is a unique metastable existence interfacing between matter and antimatter. Our recent high-resolution laser spectroscopy of pHe /sup +/ has reached a precision of 0.5 ppm, and the agreement between our experimental values of transition energies and the calculations has become better than 2 ppm. This agreement in turn sets a severe constraint on the antiproton charge and mass. Future possibilities at the new antiproton decelerator (AD) are also discussed. (12 refs).

  19. Electronic spectroscopy of molecules in superfluid helium nanodroplets: an excellent sensor for intramolecular charge redistribution.

    Science.gov (United States)

    Pentlehner, D; Riechers, R; Vdovin, A; Pötzl, G M; Slenczka, A

    2011-06-30

    Electronic spectra of molecules doped into superfluid (4)He nanodroplets reveal important details of the microsolvation in superfluid helium. The vibrational fine structure in the electronic spectra of phthalocyanine derivatives and pyrromethene dye molecules doped into superfluid helium droplets have been investigated. Together with previous studies on anthracene derivatives [J. Chem. Phys.2010, 133, 114505] and 3-hydroxyflavone [J. Chem. Phys.2009, 131, 194307], the line shapes vary between two limiting cases, namely, sharp Lorentzians and nonresolved vibrational fine structure. All different spectral signatures are initiated by the same effect, namely, the change of the electron density distribution initiated by the electronic excitation. This change can be quantified by the difference of the electrostatic moments of the molecule in the electronic ground state and the corresponding Franck-Condon point in the excited state. According to the experimental data, electronic spectroscopy suffers from drastic line broadening when accompanied by significant changes of the charge distribution, in particular, changes of the dipole moment. Vice versa, the vibrational fine structure in electronic spectra of molecules doped into helium droplets is highly sensitive to changes of the electron density distribution.

  20. Charge dynamic characteristics in corona-charged polytetrafluoroethylene film electrets

    Institute of Scientific and Technical Information of China (English)

    陈钢进; 肖慧明; 朱春凤

    2004-01-01

    In this work, the charge dynamics characteristics of injection, transport and decay in porous and non-porous polytetrafluoroethylene (PTFE) film electrets were investigated by means of corona charging, isothermal and thermal stimulating surface-potential decay measurements. The results showed that the initial surface potential, whether positively or negatively charging, is much higher in non-porous PTFE than in porous PTFE. For porous film the value of initial sur-face potentials increases with increase of film thickness. Higher charging temperature can remarkably improve charge stability. The charge dynamics are correlated to materials microstructure according to their scanning electron micrographs.For non-porous PTFE films, polarizability change of C-F bonds is the main origin of electret charges; but for porous PTFE film a large number of bulk and interface type traps are expected because of the greater area of interface and higher crys-tallinity.

  1. Charge dynamic characteristics in corona-charged polytetrafluoroethylene film electrets

    Institute of Scientific and Technical Information of China (English)

    陈钢进; 肖慧明; 朱春凤

    2004-01-01

    In this work, the charge dynamics characteristics of injection, transport and decay in porous and non-porous polytetrafluoroethylene (PTFE) film electrets were investigated by means of corona charging, isothermal and thermal stimulating surface-potential decay measurements. The results showed that the initial surface potential, whether positively or negatively charging, is much higher in non-porous PTFE than in porous PTFE. For porous film the value of initial surface potentials increases with increase of film thickness. Higher charging temperature can remarkably improve charge stability. The charge dynamics are correlated to materials microstructure according to their scanning electron micrographs.For non-porous PTFE films, polarizability change of C-F bonds is the main origin of electret charges; but for porous PTFE film a large number of bulk and interface type traps are expected because of the greater area of interface and higher crystallinity.

  2. Theoretical study of charge exchange dynamics in He$^+$ + NO collisions

    CERN Document Server

    Bene, E

    2014-01-01

    We investigate the charge transfer mechanism in the collisions of helium ions on nitric oxide using a molecular description framework with consideration of the orientation of the projectile toward the target. The anisotropy of the collision process has been analysed in detail in connection with the non-adiabatic interactions around avoided crossings. Potential energy curves, radial and rotational coupling matrix elements have been determined by means of ab initio quantum chemical methods. The collision dynamics is performed in the [1.-25.] keV collision energy range using a semiclassical approach, and the total electron transfer cross sections are analysed with regard to available experimental data.

  3. Molecular dynamics study on the structure I helium hydrate

    Institute of Scientific and Technical Information of China (English)

    CHENG Wei; WU Hucai; YE Xiaoqin; HOU Hongyu

    2004-01-01

    A 368- water molecule structure I gas hydrate, encased by the number of helium (He) molecules ranging from two to twenty-two, are calculated by molecular dynamical simulations. The potential TIP4P (transferable intermolecular potentical with four sites) is used for water interactions and Lennard-Jones for He-He and He-water interactions. He molecules do not affect the water lattice and can stabilize the hydrate when their concentration is small. A trough signature of He encased is found at 80~90 meV in the phonon density of states. He molecules prefer to be more off-center in 51262 cages. Heavier isotope He are energetically favorable to be filled in cages.

  4. Cluster dynamics modeling of accumulation and diffusion of helium in neutron irradiated tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Li, Y.G.; Zhou, W.H.; Huang, L.F. [Key Laboratory for Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Zeng, Z., E-mail: zzeng@theory.issp.ac.cn [Key Laboratory for Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Ju, X. [Department of Physics, University of Science and Technology Beijing, Beijing 100083 (China)

    2012-12-15

    A cluster dynamics model based on rate theory has been developed to study the accumulation and diffusion processes of helium in tungsten under synergistic effects of helium implantation and neutron irradiation. By including self-interstitial atoms, vacancies and helium atoms as well as their clusters and further using more reliable parameters, the evolution of different types of defects with time and depth is investigated. The calculated results are comparable with experiments. The cases of helium plasma corresponding to the first wall and to the divertor are taken into account. The accumulation and diffusion behaviors of helium in tungsten are illustrated by the time and depth dependence of helium concentration in tungsten with or without the neutron irradiation, the contribution of different types of helium clusters/complexes to helium concentration and the depth profiles of different mobile defects and helium-vacancy complexes. It is concluded that the competition of trapping and diffusion effects dominates the behavior of helium atoms in tungsten for these two typical cases. Understanding these mechanisms is important for estimating damages to the plasma-facing materials.

  5. Charge collection in Si detectors irradiated in situ at superfluid helium temperature

    Science.gov (United States)

    Verbitskaya, Elena; Eremin, Vladimir; Zabrodskii, Andrei; Dehning, Bernd; Kurfürst, Christoph; Sapinski, Mariusz; Bartosik, Marcin R.; Egorov, Nicolai; Härkönen, Jaakko

    2015-10-01

    Silicon and diamond detectors operated in a superfluid helium bath are currently being considered for the upgrade of the LHC beam loss monitoring system. The detectors would be installed in immediate proximity of the superconducting coils of the triplet magnets. We present here the results of the in situ irradiation test for silicon detectors using 23 GeV protons while keeping the detectors at a temperature of 1.9 K. Red laser (630 nm) Transient Current Technique and DC current measurements were used to study the pulse response and collected charge for silicon detectors irradiated to a maximum radiation fluence of 1×1016 p/cm2. The dependence between collected charge and irradiation fluence was parameterized using the Hecht equation and assumption of a uniform electric field distribution. The collected charge was found to degrade with particle fluence for both bias polarities. We observed that the main factor responsible for this degradation was related to trapping of holes on the donor-type radiation-induced defects. In contrast to expectations, along with formation of donors, acceptor-type defects (electron traps) are introduced into the silicon bulk. This suggests that the current models describing charge collection in irradiated silicon detectors require an extension for taking into account trapping at low temperatures with a contribution of shallow levels. New in situ irradiation tests are needed and planned now to extend statistics of the results and gain a deeper insight into the physics of low temperature detector operation in harsh radiation environment.

  6. Dynamics of two-electron excitations in helium

    Energy Technology Data Exchange (ETDEWEB)

    Caldwell, C.D.; Menzel, A.; Frigo, S.P. [Univ. of Central Florida, Orlando, FL (United States)] [and others

    1997-04-01

    Excitation of both electrons in helium offers a unique window for studying electron correlation at the most basic level in an atom in which these two electrons and the nucleus form a three-body system. The authors utilized the first light available at the U-8 undulator-SGM monochromator beamline to investigate the dynamic parameters, partial cross sections, differential cross sections, and photoelectron angular distribution parameters ({beta}), with a high resolving power for the photon beam and at the highly differential level afforded by the use of their electron spectrometer. In parallel, they carried out detailed calculations of the relevant properties by a theoretical approach that is based on the hyperspherical close-coupling method. Partial photoionization cross sections {sigma}{sub n}, and photoelectron angular distributions {beta}{sub n} were measured for all possible final ionic states He{sup +}(n) in the region of the double excitations N(K,T){sup A} up to the N=5 threshold. At a photon energy bandpass of 12 meV below the thresholds N=3, 4, and 5, this level of differentiation offers the most critical assessment of the dynamics of the two-electron excitations to date. The experimental data were seen to be very well described by the most advanced theoretical calculations.

  7. Photodissociation of Cl 2 in helium clusters: an application of hybrid method of quantum wavepacket dynamics and path integral centroid molecular dynamics

    Science.gov (United States)

    Takayanagi, Toshiyuki; Shiga, Motoyuki

    2003-04-01

    The photodissociation dynamics of Cl 2 embedded in helium clusters is studied by numerical simulation with an emphasis on the effect of quantum character of helium motions. The simulation is based on the hybrid model in which Cl-Cl internuclear dynamics is treated in a wavepacket technique, while the helium motions are described by a path integral centroid molecular dynamics approach. It is found that the cage effect largely decreases when the helium motion is treated quantum mechanically. The mechanism is affected not only by the zero-point vibration in the helium solvation structure, but also by the quantum dynamics of helium.

  8. Recombination-cascade X-ray spectra of highly charged helium-like ions

    Science.gov (United States)

    Pradhan, A. K.

    1985-01-01

    It is shown that the relative intensity distribution among the X-ray spectral lines of helium-like ions from the n = 2 states produced through recombination processes such as radiative and charge transfer recombination may be given by considering in detail the radiative cascades following recombination. Model calculations are presented with predicted line ratios for Ar XVII and Fe XXV in recombination-dominated noncoronal plasmas. In particular, compared to coronal intensities, the singlet resonance line (w) should be much weaker relative to the triplet intercombination (x, y) and forbidden (z) lines, yielding large values for the ratio G = (x + y + z)/w. Accurate configuration interaction type wave functions are employed to calculate the eigenenergies, transition probabilities, and cascade coefficients. Certain relevant tokamak and astrophysical observations are discussed.

  9. Charge transfer and penning ionization of dopants in or on helium nanodroplets exposed to EUV radiation.

    Science.gov (United States)

    Buchta, Dominic; Krishnan, Siva R; Brauer, Nils B; Drabbels, Marcel; O'Keeffe, Patrick; Devetta, Michele; Di Fraia, Michele; Callegari, Carlo; Richter, Robert; Coreno, Marcello; Prince, Kevin C; Stienkemeier, Frank; Moshammer, Robert; Mudrich, Marcel

    2013-05-30

    Helium nanodroplets are widely used as a cold, weakly interacting matrix for spectroscopy of embedded species. In this work, we excite or ionize doped He droplets using synchrotron radiation and study the effect onto the dopant atoms depending on their location inside the droplets (rare gases) or outside at the droplet surface (alkali metals). Using photoelectron-photoion coincidence imaging spectroscopy at variable photon energies (20-25 eV), we compare the rates of charge-transfer to Penning ionization of the dopants in the two cases. The surprising finding is that alkali metals, in contrast to the rare gases, are efficiently Penning ionized upon excitation of the (n = 2)-bands of the host droplets. This indicates rapid migration of the excitation to the droplet surface, followed by relaxation, and eventually energy transfer to the alkali dopants.

  10. Fragmentation dynamics of ionized neon clusters (Ne(n), n=3-14) embedded in helium nanodroplets.

    Science.gov (United States)

    Bonhommeau, David; Halberstadt, Nadine; Viel, Alexandra

    2006-01-14

    We report a theoretical study of the nonadiabatic fragmentation dynamics of ionized neon clusters embedded in helium nanodroplets for cluster sizes up to n=14 atoms. The dynamics of the neon atoms is modeled using the molecular dynamics with quantum transitions method of Tully [J. Chem. Phys. 93, 1061 (1990)] with the nuclei treated classically and transitions between electronic states quantum mechanically. The potential-energy surfaces are derived from a diatomics-in-molecules model to which induced dipole-induced dipole interactions are added. The effect of the spin-orbit interaction is also discussed. The helium environment is modeled by a friction force acting on charged atoms whose speed exceeds the critical Landau velocity. The dependence of the fragment size distribution on the friction strength and on the initial nanodroplet size is investigated. By comparing with the available experimental data obtained for Ne3+ and Ne4+, a reasonable value for the friction coefficient, the only parameter of the model, is deduced. This value is then used to predict the effect of the helium environment on the dissociation dynamics of larger neon clusters, n=5-14. The results show stabilization of larger fragments than in the gas phase, but fragmentation is not completely caged. In addition, two types of dynamics are characterized for Ne4+: fast and explosive, therefore leaving no time for friction to cool down the process when dynamics starts on one of the highest electronic states, and slower, therefore leading to some stabilization by helium when it starts on one of the lowest electronic states.

  11. High dynamic range charge measurements

    Energy Technology Data Exchange (ETDEWEB)

    De Geronimo, Gianluigi

    2012-09-04

    A charge amplifier for use in radiation sensing includes an amplifier, at least one switch, and at least one capacitor. The switch selectively couples the input of the switch to one of at least two voltages. The capacitor is electrically coupled in series between the input of the amplifier and the input of the switch. The capacitor is electrically coupled to the input of the amplifier without a switch coupled therebetween. A method of measuring charge in radiation sensing includes selectively diverting charge from an input of an amplifier to an input of at least one capacitor by selectively coupling an output of the at least one capacitor to one of at least two voltages. The input of the at least one capacitor is operatively coupled to the input of the amplifier without a switch coupled therebetween. The method also includes calculating a total charge based on a sum of the amplified charge and the diverted charge.

  12. Stability of helium bubbles in alpha-iron: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Lucas, G. [Ecole Polytechnique Federale de Lausanne (EPFL), Centre de Recherche en Physique des Plasmas, Association Euratom-Confederation Suisse, CH 5332 Villigen PSI (Switzerland)], E-mail: guillaume.lucas@psi.ch; Schaeublin, R. [Ecole Polytechnique Federale de Lausanne (EPFL), Centre de Recherche en Physique des Plasmas, Association Euratom-Confederation Suisse, CH 5332 Villigen PSI (Switzerland)

    2009-04-30

    Molecular dynamics simulations were performed to estimate the dissociation energies of helium interstitials, vacancies and self-interstitial atoms from small helium-vacancy clusters. Several sets of empirical potentials have been tested and compared with available ab initio calculations in order to provide the best combination of potentials to study the stability of small helium bubbles. The behavior of the cluster seems to be better described using Ackland potential for the Fe-Fe interactions and Juslin potential for the Fe-He interactions. From the calculations, it appears that the dissociation energies mainly depend on the helium-to-vacancy ratio rather than the cluster size. The helium/vacancy crossover slightly varies with increasing number of vacancies, but the crossover defining the loop-punching regime decreases strongly with increasing cluster sizes.

  13. Charge transport network dynamics in molecular aggregates

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, Nicholas E. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Chen, Lin X. [Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Science and Engineering Division; Ratner, Mark A. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry

    2016-07-20

    Due to the nonperiodic nature of charge transport in disordered systems, generating insight into static charge transport networks, as well as analyzing the network dynamics, can be challenging. Here, we apply time-dependent network analysis to scrutinize the charge transport networks of two representative molecular semiconductors: a rigid n-type molecule, perylenediimide, and a flexible p-type molecule, bBDT(TDPP)2. Simulations reveal the relevant timescale for local transfer integral decorrelation to be ~100 fs, which is shown to be faster than that of a crystalline morphology of the same molecule. Using a simple graph metric, global network changes are observed over timescales competitive with charge carrier lifetimes. These insights demonstrate that static charge transport networks are qualitatively inadequate, whereas average networks often overestimate network connectivity. Finally, a simple methodology for tracking dynamic charge transport properties is proposed.

  14. Measurement and modeling of electric field and space-charge distributions in obstructed helium discharge

    Energy Technology Data Exchange (ETDEWEB)

    Fendel, Peter [Thorlabs, 56 Sparta Avenue, Newton, New Jersey 07860 (United States); Ganguly, Biswa N.; Bletzinger, Peter [Air Force Research Laboratory, WPAFB, Ohio 45433 (United States)

    2015-08-15

    Axial and radial variations of electric field have been measured in dielectric shielded 0.025 m diameter parallel plate electrode with 0.0065 m gap for 1.6 mA, 2260 V helium dc discharge at 1.75 Torr. The axial and radial electric field profiles have been measured from the Stark splitting of 2{sup 1}S→11 {sup 1}P transition through collision induced fluorescence from 4{sup 3}D→2{sup 3}P. The electric field values showed a strong radial variation peaking to 500 kV/m near the cathode radial boundary, and decreasing to about 100 kV/m near the anode edge, suggesting the formation of an obstructed discharge for this low nd condition, where n is the gas density and d is the gap distance. The off-axis Stark spectra showed that the electric field vector deviates from normal to the cathode surface which permits longer path electron trajectories in the inter-electrode gap. Also, the on-axis electric field gradient was very small and off-axis electric field gradient was large indicating a radially non-uniform current density. In order to obtain information about the space charge distribution in this obstructed discharge, it was modeled using the 2-d axisymmetric Poisson solver with the COMSOL finite element modeling program. The best fit to the measured electric field distribution was obtained with a space charge variation of ρ(r) = ρ{sub 0}(r/r{sub 0}){sup 3}, where ρ(r) is the local space charge density, ρ{sub 0} = 6 × 10{sup −3} Coulomb/m{sup 3}, r is the local radial value, and r{sub 0} is the radius of the electrode.

  15. Systematic effects in the measurement of the negatively charged pion mass using laser spectroscopy of pionic helium atoms

    CERN Document Server

    Obreshkov, Boyan

    2016-01-01

    The collision-induced shift and broadening of selected dipole transition lines of pionic helium in gaseous helium at low temperatures up to $T=12$ K and pressure up to a few bar are calculated within variable phase function approach. We predict blue shift of the resonance frequencies of the $(n,l)=(16,15) \\rightarrow (16,14) $ and $(16,15) \\rightarrow (17,14)$ unfavored transitions and red shift for the favored transition $(17,16) \\rightarrow (16,15)$. The result may be helpful in reducing the systematic error in proposed future experiments for determination of the negatively charged pion mass from laser spectroscopy of metastable pionic helium atoms.

  16. Charge-sensitive deep level transient spectroscopy of helium-ion-irradiated silicon, as-irradiated and after thermal annealing

    Institute of Scientific and Technical Information of China (English)

    Li Bing-Sheng; Zhang Chong-Hong; Yang Yi-Tao; Zhou Li-Hong; Zhang Hong-Hua

    2009-01-01

    Electrically active defects in the phosphor-doped single-crystal silicon, induced by helium-ion irradiation under thermal annealing, have been investigated. Isothermal charge-sensitive deep-level transient spectroscopy was employed to study the activation energy and capture cross-section of helium-induced defects in silicon samples. It was shown that the activation energy levels produced by helium-ion irradiation first increased with increasing annealing temperature, with the maximum value of the activation energy occurring at 873 K, and reduced with further increase of the annealing temperature. The energy levels of defects in the samples annealed at 873 and I073 K are found to be located near the mid-forbidden energy gap level so that they can act as thermally stable carrier recombination centres.

  17. Floating liquid bridge charge dynamics

    Science.gov (United States)

    Teschke, Omar; Soares, David Mendez; Gomes, Whyllerson Evaristo; Valente Filho, Juracyr Ferraz

    2016-01-01

    The interaction of liquid with electric fields is investigated in a configuration where up to 13 kV are applied between electrodes resulting in a 106 V/m electric field in the capillaries and where there is the formation of a free-standing fluid bridge in the interelectrode gap. The Mott-Gurney equation was fitted to the measured ionization current vs applied voltage curve which indicates that the ionization rate at the high-voltage anode electrode dimethylsulfoxide (DMSO) interface and space charging in the interelectrode gap determine the floating liquid bridge current for a given cathode-to-anode voltage. Space charge effects were measured in the cathode becker and also at the liquid bridge since the ionized charges at the anode migrate to the bridge outer surface and decrease the interfacial tension from 43 mJ/m2 to 29 mJ/m2. Two distinct structural regions then form the bridge, a charged plastic (bulk modulus ˜100 MPa) conducting outer layer with a surface conductivity of ˜10-9 Ω-1, which shapes and supports the floating fluid structure, and an inner liquid cylinder, where DMSO molecules flow.

  18. Feasibility of non-thermal helium measurements with charge exchange spectroscopy on ITER

    Science.gov (United States)

    Kappatou, A.; Delabie, E.; Jaspers, R. J. E.; von Hellermann, M. G.

    2012-04-01

    The use of active charge exchange recombination spectroscopy (CXRS) as a diagnostic for fusion-produced alpha particles on ITER is constrained by the signal-to-noise ratio, which is determined by the intensity of the line of interest, the optical throughput of the diagnostic, the neutral beam penetration, and the intensity of bremsstrahlung radiation. The CX spectral line for fast ions has been modelled together with the expected background emission and we present the signal-to-noise ratios calculated as a function of the diagnostic design parameters. Combining the CXRS data from both the heating and the diagnostic neutral beams on ITER, information on fast ions with energies up to 1 MeV can be obtained for the parameters of the ITER core CXRS diagnostic design. To achieve this, energy binning of the signal is used (100 keV bins or larger), in order to improve the signal-to-noise ratio, with a time resolution of 2 s. The time resolution of the measurement can be improved using a higher throughput spectrometer, but this is ultimately limited by the amount of light from the neutral beam that can be collected. Despite the challenges and the fact that the results are not as optimistic as previously assumed, it is concluded that useful information on fast helium density profiles can be obtained using CXRS on ITER.

  19. Diagnostics of a charge breeder electron cyclotron resonance ion source helium plasma with the injection of ^{23}Na^{1+} ions

    Directory of Open Access Journals (Sweden)

    O. Tarvainen

    2016-05-01

    Full Text Available This work describes the utilization of an injected ^{23}Na^{1+} ion beam as a diagnostics of the helium plasma of a charge breeder electron cyclotron resonance ion source. The obtained data allows estimating the upper limit for the ion-ion collision mean-free path of the incident sodium ions, the lower limit of ion-ion collision frequencies for all charge states of the sodium ions and the lower limit of the helium plasma density. The ion-ion collision frequencies of high charge state ions are shown to be at least on the order of 1–10 MHz and the plasma density is estimated to be on the order of 10^{11}  cm^{-3} or higher. The experimental results are compared to simulations of the ^{23}Na^{1+} capture into the helium plasma. The results indicate that the lower breeding efficiency of light ions in comparison to heavier elements is probably due to different capture efficiencies in which the in-flight ionization of the incident 1+ ions plays a vital role.

  20. Scintillation and anisotropic roton generation by charged particles in superfluid helium

    Energy Technology Data Exchange (ETDEWEB)

    Bandler, S.R. [Brown Univ., Providence, RI (United States). Dept. of Physics; Adams, J.S. [Brown Univ., Providence, RI (United States). Dept. of Physics; Brouer, S.M. [Brown Univ., Providence, RI (United States). Dept. of Physics; Enss, C. [Brown Univ., Providence, RI (United States). Dept. of Physics; Lanou, R.E. [Brown Univ., Providence, RI (United States). Dept. of Physics; Maris, H.J. [Brown Univ., Providence, RI (United States). Dept. of Physics; More, T. [Brown Univ., Providence, RI (United States). Dept. of Physics; Porter, F.S. [Brown Univ., Providence, RI (United States). Dept. of Physics; Seidel, G.M. [Brown Univ., Providence, RI (United States). Dept. of Physics

    1996-02-11

    The physical processes of a superfluid helium-based particle detector are outlined. In particular, we discuss the fluorescent production of UV photons and the generation of an anisotropic roton flux by {alpha} particles. These two observed phenomena have potential use in the development of a full-scale helium particle detector. (orig.).

  1. Dynamics of neutral and charged aerosol particles

    Energy Technology Data Exchange (ETDEWEB)

    Leppae, J.

    2012-07-01

    Atmospheric aerosol particles have various climate effects and adverse health effects, which both depend on the size and number concentration of the particles. Freshly-formed particles are not large enough to impact neither health nor climate and they are most susceptible to removal by collisions with larger pre-existing particles. Consequently, the knowledge of both the formation and the growth rate of particles are crucially important when assessing the health and climate effects of atmospheric new particle formation. The purpose of this thesis is to increase our knowledge of the dynamics of neutral and charged aerosol particles with a specific interest towards the particle growth rate and processes affecting the aerosol charging state. A new model, Ion-UHMA, which simulates the dynamics of neutral and charged particles, was developed for this purpose. Simple analytical formulae that can be used to estimate the growth rate due to various processes were derived and used to study the effects of charged particles on the growth rate. It was found that the growth rate of a freshly-formed particle population due to condensation and coagulation could be significantly increased when a considerable fraction of the particles are charged. Finally, recent data-analysis methods that have been applied to the aerosol charging states obtained from the measurements were modified for a charge asymmetric framework. The methods were then tested on data obtained from aerosol dynamics simulations. The methods were found to be able to provide reasonable estimates on the growth rate and proportion of particles formed via ion-induced nucleation, provided that the growth rate is high enough and that the charged particles do not grow much more rapidly than the neutral ones. A simple procedure for estimating whether the methods are suitable for analysing data obtained in specific conditions was provided. In this thesis, the dynamics of neutral and charged aerosol particles were studied in

  2. Torque and power characteristics of a helium charged Stirling engine with a lever controlled displacer driving mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Karabulut, H.; Cinar, C.; Oztuerk, E.; Yuecesu, H.S. [Department of Mechanical Technology, Faculty of Technical Education, Gazi University, 06500 Teknikokullar, Ankara (Turkey)

    2010-01-15

    This study presents test results of a Stirling engine with a lever controlled displacer driving mechanism. Tests were conducted with helium and the working fluid was charged into the engine block. The engine was loaded by means of a prony type micro dynamometer. The heat was supplied by a liquefied petroleum gas (LPG) burner. The engine started to run at 118 C hot end temperature and the systematic tests of the engine were conducted at 180 C, 220 C and 260 C hot end external surface temperatures. During the test, cold end temperature was kept at 27 C by means of water circulation. Variation of the shaft torque and power with respect to the charge pressure and hot end temperature were examined. The maximum torque and power were measured as 3.99 Nm and 183 W at 4 bars charge pressure and 260 C hot end temperature. Maximum power corresponded to 600 rpm speed. (author)

  3. Effective dynamics of a classical point charges

    CERN Document Server

    Polonyi, Janos

    2013-01-01

    The effective Lagrangian of a point charge is derived by eliminating the electromagnetic field within the framework of the classical closed time path formalism. The short distance singularity of the electromagnetic field is regulated by an UV cutoff. The Abraham-Lorentz force is recovered and its similarity to anomalies is underlined. The full cutoff-dependent linearized equation of motion is obtained, no runaway trajectories are found but the effective dynamics shows acausality if the cutoff is beyond the classical charge radius. The strength of the radiation reaction force displays a pole in its cutoff-dependence in a manner reminiscent of the Landau-pole of perturbative QED. Similarity between the dynamical breakdown of the time reversal invariance and dynamical symmetry breaking is pointed out.

  4. Electron induced break-up of helium. Benchmark experiments on a dynamical four-body Coulomb system

    Energy Technology Data Exchange (ETDEWEB)

    Duerr, M.

    2006-07-05

    This work presents an experimental study of fragmentation of helium by electron impact, in which absolute fully differential cross sections for single ionization, ionization-excitation and double ionization were determined. By applying a charged-particle imaging technique, the so-called 'reaction microscope', a large fraction of the final-state momentum space is covered, and the major limitations of previous experimental methods applied in this field could be overcome. Decisive modifications of the previous reaction microscope were undertaken, the most important one being the arrangement of the projectile beam parallel to the imaging-fields. For single ionization on helium an enhanced electron emission outside the projectile scattering plane is observed at both considered impact energies (102 eV and 1 keV), which is similar to the result found for ion-impact (M. Schulz et al., Nature (London) 422, 48 (2003)). The angle resolved cross sections obtained for double ionization at 105 eV impact energy reveal, that the process is dominated by the mutual repulsion of the three final-state continuum electrons. However, signatures of more complex dynamics are also observed. The data provide an ultimate benchmark for recently developed theories treating the dynamical three- and four-body Coulomb problem. (orig.)

  5. Sub-ppm laser spectroscopy of antiprotonic helium and a CPT-violation limit on the antiprotonic charge and mass.

    Science.gov (United States)

    Hori, M; Eades, J; Hayano, R S; Ishikawa, T; Sakaguchi, J; Widmann, E; Yamaguchi, H; Torii, H A; Juhász, B; Horváth, D; Yamazaki, T

    2001-08-27

    Six laser-resonant transitions have been detected in metastable antiprotonic helium atoms produced at the CERN Antiproton Decelerator. They include UV transitions from the last metastable states in the v = n-l-1 = 0 and 1 cascades. Zero-density frequencies were obtained from measured pressure shifts with fractional precisions between 1.3 x 10(-7) and 1.6 x 10(-6). By comparing these with QED calculations and the antiproton cyclotron frequency, we deduce that the antiproton and proton charges and masses agree to within 6 x 10(-8) with a confidence level of 90%.

  6. Equation of state and transport properties of warm dense helium via quantum molecular dynamics simulations

    Science.gov (United States)

    Li, Zhi-Guo; Cheng, Yan; Chen, Qi-Feng; Chen, Xiang-Rong

    2016-05-01

    The equation of state, self-diffusion, and viscosity coefficients of helium have been investigated by quantum molecular dynamics (QMD) simulations in the warm dense matter regime. Our simulations are validated through the comparison with the reliable experimental data. The calculated principal and reshock Hugoniots of liquid helium are in good agreement with the gas-gun data. On this basis, we revisit the issue for helium, i.e., the possibility of the instabilities predicted by chemical models at around 2000 GPa and 10 g/cm3 along the pressure isotherms of 6309, 15 849, and 31 623 K. Our calculations show no indications of instability in this pressure-temperature region, which reconfirm the predictions of previous QMD simulations. The self-diffusion and viscosity coefficients of warm dense helium have been systematically investigated by the QMD simulations. We carefully test the finite-size effects and convergences of statistics, and obtain numerically converged self-diffusion and viscosity coefficients by using the Kubo-Green formulas. The present results have been used to evaluate the existing one component plasma models. Finally, the validation of the Stokes-Einstein relationship for helium in the warm dense regime is discussed.

  7. On the size and structure of helium snowballs formed around charged atoms and clusters of noble gases.

    Science.gov (United States)

    Bartl, Peter; Leidlmair, Christian; Denifl, Stephan; Scheier, Paul; Echt, Olof

    2014-09-18

    Helium nanodroplets doped with argon, krypton, or xenon are ionized by electrons and analyzed in a mass spectrometer. HenNgx(+) ions containing up to seven noble gas (Ng) atoms and dozens of helium atoms are identified; the high resolution of the mass spectrometer combined with advanced data analysis make it possible to unscramble contributions from isotopologues that have the same nominal mass but different numbers of helium or Ng atoms, such as the magic He20(84)Kr2(+) and the isobaric, nonmagic He41(84)Kr(+). Anomalies in these ion abundances reveal particularly stable ions; several intriguing patterns emerge. Perhaps most astounding are the results for HenAr(+), which show evidence for three distinct, solid-like solvation shells containing 12, 20, and 12 helium atoms. This observation runs counter to the common notion that only the first solvation shell is solid-like but agrees with calculations by Galli et al. for HenNa(+) [J. Phys. Chem. A 2011, 115, 7300] that reveal three shells of icosahedral symmetry. HenArx(+) (2 ≤ x ≤ 7) ions appear to be especially stable if they contain a total of n + x = 19 atoms. A sequence of anomalies in the abundance distribution of HenKrx(+) suggests that rings of six helium atoms are inserted into the solvation shell each time a krypton atom is added to the ionic core, from Kr(+) to Kr3(+). Previously reported strong anomalies at He12Kr2(+) and He12Kr3(+) [Kim , J. H.; et al. J. Chem. Phys. 2006, 124, 214301] are attributed to a contamination. Only minor local anomalies appear in the distributions of HenXex(+) (x ≤ 3). The distributions of HenKr(+) and HenXe(+) show strikingly similar, broad features that are absent from the distribution of HenAr(+); differences are tentatively ascribed to the very different fragmentation dynamics of these ions.

  8. A variational path integral molecular dynamics study of a solid helium-4

    Science.gov (United States)

    Miura, Shinichi

    2011-01-01

    In the present study, a variational path integral molecular dynamics method developed by the author [Chem. Phys. Lett. 482 (2009) 165] is applied to a solid helium-4 in the ground state. The method is a molecular dynamics algorithm for a variational path integral method which can be used to generate the exact ground state numerically. The solid state is shown to successfully be realized by the method, although a poor trial wavefunction that cannot describe the solid state is used.

  9. Quantum fluid dynamics based current-density functional study of a helium atom in a strong time-dependent magnetic field

    Science.gov (United States)

    Vikas, Hash(0x125f4490)

    2011-02-01

    Evolution of the helium atom in a strong time-dependent (TD) magnetic field ( B) of strength up to 1011 G is investigated through a quantum fluid dynamics (QFD) based current-density functional theory (CDFT). The TD-QFD-CDFT computations are performed through numerical solution of a single generalized nonlinear Schrödinger equation employing vector exchange-correlation potentials and scalar exchange-correlation density functionals that depend both on the electronic charge-density and the current-density. The results are compared with that obtained from a B-TD-QFD-DFT approach (based on conventional TD-DFT) under similar numerical constraints but employing only scalar exchange-correlation potential dependent on electronic charge-density only. The B-TD-QFD-DFT approach, at a particular TD magnetic field-strength, yields electronic charge- and current-densities as well as exchange-correlation potential resembling with that obtained from the time-independent studies involving static (time-independent) magnetic fields. However, TD-QFD-CDFT electronic charge- and current-densities along with the exchange-correlation potential and energy differ significantly from that obtained using B-TD-QFD-DFT approach, particularly at field-strengths >109 G, representing dynamical effects of a TD field. The work concludes that when a helium atom is subjected to a strong TD magnetic field of order >109 G, the conventional TD-DFT based approach differs "dynamically" from the CDFT based approach under similar computational constraints.

  10. Evidence for a dynamic origin of charge

    CERN Document Server

    Hofer, W A

    2000-01-01

    The fundamental equations of particle motion lead to a modified Poisson equation including dynamic charge. This charge derives from density oscillations of a particle; it is not discrete, but continuous. Within the dynamic model of hydrogen it accounts for all features of electron proton interactions, its origin are density oscillations of the proton. We propose a new system of electromagnetic units, based on meter, kilogram, and second, bearing on these findings. The system has none of the disadvantages of traditional three-unit systems. On the basis of our theoretical model we can genuinely derive the scaling factor between electromagnetic and mechanic variables, which is equal, within a few percent, to Planck's constant h. The implications of the results in view of unifying gravity and quantum theory are discussed. It seems that the hypothetical solar gravity field, in the very low frequency range of the electromagnetic spectrum, is open to experimental detection.

  11. Dynamics of liquid helium boil-off experiments with a step change in pressure

    Science.gov (United States)

    Cha, Y. S.; Niemann, R. C.; Hull, J. R.

    The results of dynamic analysis of the effect of pressure variations during helium boil-off experiments are presented. A general solution of the diffusion equation with a time-dependent boundary condition is employed to describe the dynamic response of the liquid helium system under variable pressure conditions, and a solution is obtained for the special case when the system is subjected to a step change in pressure. The calculated temperature response of the liquid indicates that most of the experiments were not likely to have reached equilibrium as a result of the low thermal diffusivity of liquid helium. The initial rate of evaporation or condensation is large, and the rate decreases sharply with time. A method is proposed to account for the transient effect that is observed during calculation of the heat loss rate from a helium boil-off experiment. By assuming that there is no mixing at all, the present analysis provides an estimate of the upper (condensation) or lower (evaporation) bound of the heat loss rate as a result of a pressure increase or decrease in the system. A previously reported equilibrium analysis is expected to apply to situations where complete mixing occurred in the bulk liquid and provides the opposite limits.

  12. Evolution of dopant-induced helium nanoplasmas

    CERN Document Server

    Krishnan, S R; Fechner, L; Sharma, V; Kremer, M; Fischer, B; Camus, N; Pfeifer, T; Jha, J; Krishnamurthy, M; Schroeter, C -D; Ullrich, J; Stienkemeier, F; Moshammer, R; Fennel, Th; Mudrich, M

    2012-01-01

    Two-component nanoplasmas generated by strong-field ionization of doped helium nanodroplets are studied in a pump-probe experiment using few-cycle laser pulses in combination with molecular dynamics simulations. High yields of helium ions and a pronounced, droplet size-dependent resonance structure in the pump-probe transients reveal the evolution of the dopant-induced helium nanoplasma. The pump-probe dynamics is interpreted in terms of strong inner ionization by the pump pulse and resonant heating by the probe pulse which controls the final charge states detected via the frustration of electron-ion recombination.

  13. Influence of voltage magnitude on the dynamic behavior of a stable helium atmospheric pressure plasma jet

    Science.gov (United States)

    Ning, Wenjun; Wang, Lijun; Wu, Chen; Jia, Shenli

    2014-08-01

    Effects of voltage magnitude on the development of a stable helium atmospheric pressure plasma jet are investigated by current measurements and high temporal-resolution streak images. Generated by a coaxial dielectric barrier discharge structure, the entire discharge can be classified into three regions: discharges in the tube gap, downstream jet, and up-streamer. The discharge morphologies of each region are analyzed. In the positive discharge phase, there are two discharges in the tube gap between the electrodes; the first one is ignited as corona and then developed into streamer corona, and the second one is similar with positive glow. The downstream jet is ignited independently from the discharge in the tube gap. Referred as "plasma bullet," the dynamic behavior of the jet can be well described as a positive streamer. Under specific applied voltage, the jet is found to be composed by double bullets in which case the jet length decreases since that less charge is carried by the first bullet. The up-streamer can be captured as long as the discharge in the tube gap is activated. Propagating with velocity of ˜4 km/s, the up-streamer can be regarded as the extension of the first discharge in the tube gap. In the negative discharge phase, the discharge is confined in the tube gap with nearly symmetrical morphology with the positive one. Besides, with the rising of voltage, the negative discharge is initially intensified and then turns weaker after surpassing certain voltage, which may provide suitable condition for the occurrence of double-bullet phenomenon.

  14. A molecular dynamics simulation study of temperature and depth effect on helium bubble releasing from Ti surface

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Li; Ma, Mingwang; Xiang, Wei; Wang, Yuan; Cheng, Yanlin; Tan, Xiaohua, E-mail: caepiee@163.com

    2015-10-05

    Highlights: • Features of helium bubble at varied depths in Ti are researched by MD simulation. • Effect of Temperature on helium bubble in Ti is researched by MD simulation. • The mechanism of helium bubble releasing from metal is clarified. - Abstract: Using molecular dynamics simulation, the effect of environment temperature and depth of helium bubble on its volume, pressure and releasing process in metal Ti is researched. First, through studying the statuses of helium bubble at different depths at 300 K, the regularity of helium bubble shape, volume and pressure is acquired. The results show that with depth augmenting, the pressure increases gradually, while the volume decreases, but these two parameters keep around some level when depth is greater than 2.6 nm. Then, the evolution of model system with helium bubble at various temperatures is simulated. On the whole, the critical releasing temperature increases with depth. Finally, the mechanism of helium bubble releasing from Ti surface is explained. It is found that the bubble would tear the Ti film above it when its pressure is greater than the tensile strength of metal film, and then helium atoms will release from the metal.

  15. Compression behavior and structure of dense helium at high temperatures by molecular dynamics simulation

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    In this work,the isotherm and energy distribution at T=304 K of dense helium are studied by molecular dynamic (MD) simulations with exp-6 potential r*=2.9673 ? (the position of the well minimum) and ε/kB=10.8 K (ε is the well-depth and kB is the Boltzmann constant) given by Peter et al.,and different values of stiffness parameter α.The optimized value of α=12.7 is deduced that can describe the atomic interactions for dense helium satisfactorily.This optimized α in exp-6 potential is used to conduct MD simulations of two isotherms of dense helium at T=300 K and T=298K.The calculations are in good agreement with the experimental.We further employed this method to investigate the equation-of-state and structure of dense helium at higher temperatures and found that when the density remained 1.6 g/cm3,the second peak of the radial distribution function would disappear in the temperature range from 2000 to 3040 K,demonstrating that a solid-liquid transition or decrystallization had occurred.

  16. Compression behavior and structure of dense helium at high temperatures by molecular dynamics simulation

    Institute of Scientific and Technical Information of China (English)

    蔡灵仓; 陈其峰; 经福谦; 陈栋泉

    2000-01-01

    In this work, the isotherm and energy distribution at 7= 304 K of dense helium are studied by molecular dynamic (MD) simulations with exp-6 potential r* = 2.967 3 ε(the position of the well minimum) and ε/kb = 10.8 K (e is the well-depth and kB is the Boltzmann constant) given by Peter et al., and different values of stiffness parameter a. The optimized value of a = 12.7 is deduced that can de-scribe the atomic interactions for dense helium satisfactorily. This optimized a in exp-6 potential is used to conduct MD simulations of two isotherms of dense helium at T= 300 K and T= 298 K. The calcula-tions are in good agreement with the experimental. We further employed this method to investigate the equation-of-state and structure of dense helium at higher temperatures and found that when the density remained l .6 g/cm3, the second peak of the radial distribution function would disappear in the tempera-ture range from 2 000 to 3 040 K, demonstrating that a solid-liquid transition or decrystallization had o

  17. Numerical and experimental study on the dynamics of a μs helium plasma gun with various amounts of O2 admixture

    Science.gov (United States)

    Viegas, Pedro; Damany, Xavier; Iseni, Sylvain; Pouvesle, Jean-Michel; Robert, Eric; Bourdon, Anne

    2016-09-01

    The use of admixtures (mostly O2 and N2) to a helium buffer has been studied recently to tailor the generation of reactive species in plasma jets for biomedical applications. So far, most experiments have been dedicated to the study of the plasma plume. For endoscopic treatments, it is also important to better understand and optimize the propagation of discharges in long dielectric tubes as catheters. In this work, we present an experimental and numerical study on the dynamics of a μs helium plasma discharge with O2 admixture in a long dielectric tube. In simulations, a 2D fluid model is used. For comparison purposes, the geometries of the set-ups used for simulations and experiments are as close as possible. We compare experiments and simulations for different amounts of O2 admixture added to the buffer gas and present results on the velocity of the discharge front for the various amounts of O2 and different applied voltages. In order to study the influence of different amounts of O2 admixture on the helium discharge dynamics, detailed kinetic schemes have been used. The influence of Penning and charge exchange reactions on the discharge structure and dynamics are studied, as well as the role of negative ions. P.V. is supported by an EDOM fellowship, and X.D. by an INEL/Region Centre-Val de Loire fellowship.

  18. Terahertz transport dynamics of graphene charge carriers

    DEFF Research Database (Denmark)

    Buron, Jonas Christian Due

    The electronic transport dynamics of graphene charge carriers at femtosecond (10-15 s) to picosecond (10-12 s) time scales are investigated using terahertz (1012 Hz) time-domain spectroscopy (THz-TDS). The technique uses sub-picosecond pulses of electromagnetic radiation to gauge the electrodynamic...... response of thin conducting films at up to multi-terahertz frequencies. In this thesis THz-TDS is applied towards two main goals; (1) investigation of the fundamental carrier transport dynamics in graphene at femtosecond to picosecond timescales and (2) application of terahertz time-domain spectroscopy...... to rapid and non-contact electrical characterization of large-area graphene, relevant for industrial integration. We show that THz-TDS is an accurate and reliable probe of graphene sheet conductance, and that the technique provides insight into fundamental aspects of the nanoscopic nature of conduction...

  19. Double ionization of helium by highly-charged-ion impact analyzed within the frozen-correlation approximation

    Energy Technology Data Exchange (ETDEWEB)

    Ciappina, M. F.; Kirchner, T.; Schulz, M. [ICFO-Institut de Ciences Fotoniques, 08860 Castelldefels (Barcelona) (Spain); Department of Physics and Astronomy, York University, 4700 Keele Street, Toronto, Ontario, M3J 1P3 (Canada); Department of Physics and LAMOR, Missouri University of Science and Technology, Rolla, MO 65409 (United States)

    2011-09-15

    We apply the frozen-correlation approximation (FCA) to analyze double ionization of helium by energetic highly charged ions. In this model the double ionization amplitude is represented in terms of single ionization amplitudes, which we evaluate within the continuum distorted wave-eikonal initial state (CDW-EIS) approach. Correlation effects are incorporated in the initial and final states, but are neglected during the time the collision process takes place. We implement the FCA using the Monte Carlo event generator technique, which allows us to generate theoretical event files and to compare theory and experiment using the same analysis tools. The comparison with previous theoretical results and with experimental data demonstrates, on the one hand, the validity of our earlier simple models to account for higher-order mechanisms, and, on the other hand, the robustness of the FCA.

  20. Continuous Compressed Sensing for Surface Dynamical Processes with Helium Atom Scattering

    Science.gov (United States)

    Jones, Alex; Tamtögl, Anton; Calvo-Almazán, Irene; Hansen, Anders

    2016-06-01

    Compressed Sensing (CS) techniques are used to measure and reconstruct surface dynamical processes with a helium spin-echo spectrometer for the first time. Helium atom scattering is a well established method for examining the surface structure and dynamics of materials at atomic sized resolution and the spin-echo technique opens up the possibility of compressing the data acquisition process. CS methods demonstrating the compressibility of spin-echo spectra are presented for several measurements. Recent developments on structured multilevel sampling that are empirically and theoretically shown to substantially improve upon the state of the art CS techniques are implemented. In addition, wavelet based CS approximations, founded on a new continuous CS approach, are used to construct continuous spectra. In order to measure both surface diffusion and surface phonons, which appear usually on different energy scales, standard CS techniques are not sufficient. However, the new continuous CS wavelet approach allows simultaneous analysis of surface phonons and molecular diffusion while reducing acquisition times substantially. The developed methodology is not exclusive to Helium atom scattering and can also be applied to other scattering frameworks such as neutron spin-echo and Raman spectroscopy.

  1. Desorption Dynamics of Heavy Alkali Metal Atoms (Rb, Cs) off the Surface of Helium Nanodroplets

    CERN Document Server

    von Vangerow, J; Stienkemeier, F; Mudrich, M; Leal, A; Mateo, D; Hernando, A; Barranco, M; Pi, M

    2014-01-01

    We present a combined ion imaging and density functional theory study of the dynamics of the desorption process of rubidium and cesium atoms off the surface of helium nanodroplets upon excitation of the perturbed $6s$ and $7s$ states, respectively. Both experimental and theoretical results are well represented by the pseudodiatomic model for effective masses of the helium droplet in the desorption reaction of m_eff/m_He~10 (Rb) and 13 (Cs). Deviations from this model are found for Rb excited to the 6p state. Photoelectron spectra indicate that the dopant-droplet interaction induces relaxation into low-lying electronic states of the desorbed atoms in the course of the ejection process.

  2. Fragmentation dynamics of ionized neon trimer inside helium nanodroplets: a theoretical study.

    Science.gov (United States)

    Bonhommeau, David; Viel, Alexandra; Halberstadt, Nadine

    2004-06-22

    We report a theoretical study of the fragmentation dynamics of Ne(3) (+) inside helium nanodroplets, following vertical ionization of the neutral neon trimer. The motion of the neon atoms is treated classically, while transitions between the electronic states of the ionic cluster are treated quantum mechanically. A diatomics-in-molecules description of the potential energy surfaces is used, in a minimal basis set consisting of three effective p orbitals on each neon atom for the missing electron. The helium environment is modeled by a friction force acting on the neon atoms when their speed exceeds the Landau velocity. A reasonable range of values for the corresponding friction coefficient is obtained by comparison with existing experimental measurements.

  3. Desorption dynamics of heavy alkali metal atoms (Rb, Cs) off the surface of helium nanodroplets.

    Science.gov (United States)

    von Vangerow, J; Sieg, A; Stienkemeier, F; Mudrich, M; Leal, A; Mateo, D; Hernando, A; Barranco, M; Pi, M

    2014-08-21

    We present a combined ion imaging and density functional theory study of the dynamics of the desorption process of rubidium and cesium atoms off the surface of helium nanodroplets upon excitation of the perturbed 6s and 7s states, respectively. Both experimental and theoretical results are well represented by the pseudodiatomic model for effective masses of the helium droplet in the desorption reaction of meff/mHe ≈ 10 (Rb) and 13 (Cs). Deviations from this model are found for Rb excited to the 6p state. Photoelectron spectra indicate that the dopant-droplet interaction induces relaxation into low-lying electronic states of the desorbed atoms in the course of the ejection process.

  4. Simulations of the dissociation of small helium clusters with ab initio molecular dynamics in electronically excited states.

    Science.gov (United States)

    Closser, Kristina D; Gessner, Oliver; Head-Gordon, Martin

    2014-04-07

    The dynamics resulting from electronic excitations of helium clusters were explored using ab initio molecular dynamics. The simulations were performed with configuration interaction singles and adiabatic classical dynamics coupled to a state-following algorithm. 100 different configurations of He7 were excited into the 2s and 2p manifold for a total of 2800 trajectories. While the most common outcome (90%) was complete fragmentation to 6 ground state atoms and 1 excited state atom, 3% of trajectories yielded bound, He2(*), and <0.5% yielded an excited helium trimer. The nature of the dynamics, kinetic energy release, and connections to experiments are discussed.

  5. Wide-field, dynamic, slit-based spectroscopy of neutral helium in coronal rain

    Science.gov (United States)

    Schad, T. A.

    2016-12-01

    Building upon the Massively Multiplexed Spectrograph (mxSPEC) instrument concept [Lin, H. SPIE Vol. 9147 (2014)], we report dynamical observations of off-limb coronal rain in the neutral orthohelium lines at 1083 nm using an experiment that combines a narrowband imaging channel with a co-spatial, 17 parallel-long-slit, grating-based, spectrograph on a single HgCdTe detector. Over a 170'' x 120'' field of view, a temporal cadence of 8.5 seconds is achieved between successive maps that critically sample the diffraction limit of the Dunn Solar Telescope (1.22λ/D = 0.36'') while providing a spectral resolution (R = λ/δλ) of 40000 and a bandwidth of 1 nm (i.e. 275 km/sec Doppler coverage). The strict simultaneity of the narrowband channel relative to the each spectra (acquired at a rate of 10 Hz) allows a robust assessment (and/or compensation) of the atmospheric seeing. Due to the relatively high helium abundance, the magnetic sensitivity of the helium triplet, and the expected important role of neutral helium atoms in partially ionized environments, the He I triplet is an important diagnostic of coronal rain that will be made available by the Daniel K Inouye Solar Telescope (DKIST), currently under construction on Haleakala, Maui, Hawaii. This report will introduce the modified mxSPEC observing technique, discuss the dynamics observed in the He I spectra, and compare these dynamics with coordinated slit-jaw measurements at 1400 and 2796 Angstrom from the Interface Region Imaging Spectrograph (IRIS).

  6. Cluster dynamics modeling of the effect of high dose irradiation and helium on the microstructure of austenitic stainless steels

    Science.gov (United States)

    Brimbal, Daniel; Fournier, Lionel; Barbu, Alain

    2016-01-01

    A mean field cluster dynamics model has been developed in order to study the effect of high dose irradiation and helium on the microstructural evolution of metals. In this model, self-interstitial clusters, stacking-fault tetrahedra and helium-vacancy clusters are taken into account, in a configuration well adapted to austenitic stainless steels. For small helium-vacancy cluster sizes, the densities of each small cluster are calculated. However, for large sizes, only the mean number of helium atoms per cluster size is calculated. This aspect allows us to calculate the evolution of the microstructural features up to high irradiation doses in a few minutes. It is shown that the presence of stacking-fault tetrahedra notably reduces cavity sizes below 400 °C, but they have little influence on the microstructure above this temperature. The binding energies of vacancies to cavities are calculated using a new method essentially based on ab initio data. It is shown that helium has little effect on the cavity microstructure at 300 °C. However, at higher temperatures, even small helium production rates such as those typical of sodium-fast-reactors induce a notable increase in cavity density compared to an irradiation without helium.

  7. Dynamical Fluctuating Charge Force Fields Application to Liquid Water

    CERN Document Server

    Rick, S W; Berne, B J; Rick, Steven W.; Stuart, Steven J.

    1994-01-01

    A new molecular dynamics model in which the point charges on atomic sites are allowed to fluctuate in response to the environment is developed and applied to water. The idea for treating charges as variables is based on the concept of electronegativity equalization according to which: (a) The electronegativity of an atomic site is dependent on the atom's type and charge and is perturbed by the electrostatic potential it experiences from its neighbors and (b) Charge is transferred between atomic sites in such a way that electronegativities are equalized. The charges are treated as dynamical variables using an extended Lagrangian method in which the charges are given a fictitious mass, velocities and kinetic energy and then propagated according to Newtonian mechanics along with the atomic degrees of freedom. Models for water with fluctuating charges are developed using the geometries of two common fixed-charge water potentials: the simple point charge (SPC) and the 4-point transferable intermolecular potential ...

  8. Molecular dynamics simulations of microscopic structure of ultra strong shock waves in dense helium

    Science.gov (United States)

    Liu, Hao; Kang, Wei; Zhang, Qi; Zhang, Yin; Duan, Huilin; He, X. T.

    2016-12-01

    Hydrodynamic properties and structure of strong shock waves in classical dense helium are simulated using non-equilibrium molecular dynamics methods. The shock speed in the simulation reaches 100 km/s and the Mach number is over 250, which are close to the parameters of shock waves in the implosion process of inertial confinement fusion. The simulations show that the high-Mach-number shock waves in dense media have notable differences from weak shock waves or those in dilute gases. These results will provide useful information on the implosion process, especially the structure of strong shock wave front, which remains an open question in hydrodynamic simulations.

  9. Dynamic correlation in the electron angular distribution in ionization of helium by ion impact

    Energy Technology Data Exchange (ETDEWEB)

    Monti, J M; Fojon, O A; Rivarola, R D [Instituto de Fisica Rosario (CONICET-UNR) and Facultad de Ciencias Exactas, IngenierIa y Agrimensura, Universidad Nacional de Rosario, Avenida Pellegrini 250, 2000 Rosario (Argentina); Hanssen, J, E-mail: rivarola@fceia.unr.edu.ar [Institut de Chimie, Physique et Materiaux, Laboratoire de Physique Moleculaire et des Collisions, Universite Paul Verlaine - Metz, 1 Bv. Arago, 57078 Metz Cedex 3 (France)

    2011-04-01

    Single ionization of helium by proton impact is investigated in terms of a four-body distorted wave model. In this approximation both electrons are considered as active, being one of them ionized whereas the other remains in a residual target bound state. The influence of dynamic correlation between electrons is investigated by comparison with a four-body uncorrelated distorted wave model. Double differential cross sections as a function of the emission angle for fixed electron energies and different collision energies are presented.

  10. Quantum fluid dynamics based current-density functional study of a helium atom in a strong time-dependent magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Vikas [Quantum Chemistry Group, Department of Chemistry and Centre of Advanced Studies in Chemistry, Panjab University, 160014 Chandigrah (India)

    2011-02-15

    Evolution of the helium atom in a strong time-dependent (TD) magnetic field (B) of strength up to 10{sup 11} G is investigated through a quantum fluid dynamics (QFD) based current-density functional theory (CDFT). The TD-QFD-CDFT computations are performed through numerical solution of a single generalized nonlinear Schroedinger equation employing vector exchange-correlation potentials and scalar exchange-correlation density functionals that depend both on the electronic charge-density and the current-density. The results are compared with that obtained from a B-TD-QFD-DFT approach (based on conventional TD-DFT) under similar numerical constraints but employing only scalar exchange-correlation potential dependent on electronic charge-density only. The B-TD-QFD-DFT approach, at a particular TD magnetic field-strength, yields electronic charge- and current-densities as well as exchange-correlation potential resembling with that obtained from the time-independent studies involving static (time-independent) magnetic fields. However, TD-QFD-CDFT electronic charge- and current-densities along with the exchange-correlation potential and energy differ significantly from that obtained using B-TD-QFD-DFT approach, particularly at field-strengths >10{sup 9} G, representing dynamical effects of a TD field. The work concludes that when a helium atom is subjected to a strong TD magnetic field of order >10{sup 9} G, the conventional TD-DFT based approach differs 'dynamically' from the CDFT based approach under similar computational constraints. (author)

  11. Evidence for Landau's critical velocity in superfluid helium nanodroplets from wave packet dynamics of attached potassium dimers

    CERN Document Server

    Schlesinger, Martin; Stienkemeier, Frank; Strunz, Walter T

    2009-01-01

    Femtosecond pump-probe spectroscopy has been used to study vibrational dynamics of potassium dimers attached to superfluid helium nanodroplets. Comparing the measured data with theoretical results based on dissipative quantum dynamics we propose that the most important effect of the helium environment is a general damping of the vibrational dynamics as a result of the interaction between dimer and collective degrees of freedom of the helium droplet. The calculations allow us to explain crucial experimental findings that are unobserved in gas-phase measurements. Remarkably, best agreement with experiment is found for a model where we neglect damping once a wave packet moves below a critical velocity. In this way the results provide first direct evidence for the Landau critical velocity in superfluid nanodroplets.

  12. Coupled spin, elastic and charge dynamics in magnetic nanostructures

    NARCIS (Netherlands)

    Kamra, A.

    2015-01-01

    In this Thesis, I address the interaction of magnetic degrees of freedom with charge current and elastic dynamics in hybrid systems composed of magnetic and non-magnetic materials. The objective, invariably, is to control and study spin dynamics using charge and elastic degrees of freedom. In certai

  13. The effect of dynamical screening on helium (e, 2e) fully differential cross-sections

    Institute of Scientific and Technical Information of China (English)

    Sun Shi-Yan; Jia Xiang-Fu; Miao Xiang-Yang; Zhang Jun-Feng; Xie Yi; Li Xiong-Wei; Shi Wen-Qiang

    2009-01-01

    This paper presents the fully differential cross sections (FDCS) for 102eV electron impact single ionization of helium for both the coplanar and perpendicular plane asymmetric geometries within the framework of dynamically screened three-Coulomb-wave theory. Comparisons are made with the experimental data and those of the three-Coulomb wave function model and second-order distorted-wave Born method. The angular distribution and relative heights of the present FDCS is found to be in very good agreement with the experimental data in the perpendicular plane geometry.It is shown that dynamical screening effects are significant in this geometry. Three-body coupling is expected to be weak in the coplanar geometry, although the precise absolute value of the cross section is still sensitive to the interaction details.

  14. Detailed study of dissipative quantum dynamics of K-2 attached to helium nanodroplets

    CERN Document Server

    Schlesinger, Martin

    2011-01-01

    We thoroughly investigate vibrational quantum dynamics of dimers attached to He droplets motivated by recent measurements with K-2 [1]. For those femtosecond pump-probe experiments, crucial observed features are not reproduced by gas phase calculations but agreement is found using a description based on dissipative quantum dynamics, as briefly shown in [2]. Here we present a detailed study of the influence of possible effects induced by the droplet. The helium droplet causes electronic decoherence, shifts of potential surfaces, and relaxation of wave packets in attached dimers. Moreover, a realistic description of (stochastic) desorption of dimers off the droplet needs to be taken into account. Step by step we include and study the importance of these effects in our full quantum calculation. This allows us to reproduce and explain all major experimental findings. We find that desorption is fast and occurs already within 2-10 ps after electronic excitation. A further finding is that slow vibrational motion in ...

  15. Desorption Dynamics of Rb_2 Molecules off the Surface of Helium Nanodroplets

    CERN Document Server

    Sieg, A; Stienkemeier, F; Dulieu, O; Mudrich, M

    2016-01-01

    The desorption dynamics of rubidium dimers (Rb_2) off the surface of helium nanodroplets induced by laser excitation is studied employing both nanosecond and femtosecond ion imaging spectroscopy. Similarly to alkali metal atoms, we find that the Rb_2 desorption process resembles the dissociation of a diatomic molecule. However, both angular and energy distributions of detected Rb_2^+ ions appear to be most crucially determined by the Rb_2 intramolecular degrees of freedom rather than by those of the Rb_2He_N complex. The pump-probe dynamics of Rb_2^+ is found to be slower than that of Rb^+ pointing at a weaker effective guest-host repulsion for excited molecules than for single atoms.

  16. Ionization and single electron capture in collision of highly charged Ar16+ ions with helium

    Institute of Scientific and Technical Information of China (English)

    Wang Fei; Gou Bing-Cong

    2008-01-01

    This paper uses the two-centre atomic orbital close-coupling method to study the ionization and the single electron capture in collision of highly charged Ar16+ ions with He atoms in the velocity range of 1.2-1.9 a.u.. The relative importance of single ionization (SI) to single capture (SC) is explored. The comparison between the calculation and experimental data shows that the SI/SC cross section ratios from this work are in good agreement with experimental data. The total single electron ionization cross sections and the total single electron capture cross sections are also given for this collision. The investigation of the partial electron capture cross section shows a general tendency of capture to larger n and l with increasing velocity from 1.2 to 1.9 a.u..

  17. The interplay between resonant enhancement and quantum path dynamics in harmonic generation in helium

    CERN Document Server

    Camp, Seth; Gaarde, Mette B

    2015-01-01

    We present a theoretical study of the influence of resonant enhancement on quantum path dynamics in the generation of harmonics above and below the ionization threshold in helium. By varying the wavelength and intensity of the driving field from 425 nm to 500 nm and from 30 TW/cm${^2}$ to 140 TW/cm${^2}$, respectively, we identify enhancements of harmonics 7, 9, and 11 that correspond to multiphoton resonances between the ground state and the Stark shifted $1s2p$, $1s3p$, and $1s4p$ excited states. A time-frequency analysis of the emission shows that both the short and long quantum path contributions to the harmonic yield are enhanced through these bound state resonances. We analyze the sub-cycle time structure of the 9th harmonic yield in the vicinity of the resonances and find that on resonance the long trajectory contribution is phase shifted by approximately $\\pi/4$. Finally, we compare the single atom and the macroscopic response of a helium gas and find that while the sub-cycle time profiles are slightl...

  18. Ultrafast probing of ejection dynamics of Rydberg atoms and molecular fragments from electronically excited helium nanodroplets.

    Science.gov (United States)

    Bünermann, Oliver; Kornilov, Oleg; Haxton, Daniel J; Leone, Stephen R; Neumark, Daniel M; Gessner, Oliver

    2012-12-07

    The ejection dynamics of Rydberg atoms and molecular fragments from electronically excited helium nanodroplets are studied with time-resolved extreme ultraviolet ion imaging spectroscopy. At excitation energies of 23.6 ± 0.2 eV, Rydberg atoms in n = 3 and n = 4 states are ejected on different time scales and with significantly different kinetic energy distributions. Specifically, n = 3 Rydberg atoms are ejected with kinetic energies as high as 0.85 eV, but their appearance is delayed by approximately 200 fs. In contrast, n = 4 Rydberg atoms appear within the time resolution of the experiment with considerably lower kinetic energies. Major features in the Rydberg atom kinetic energy distributions for both principal quantum numbers can be described within a simple elastic scattering model of localized perturbed atomic Rydberg atoms that are expelled from the droplet due to their repulsive interaction with the surrounding helium bath. Time-dependent kinetic energy distributions of He(2) (+) and He(3) (+) ions are presented that support the formation of molecular ions in an indirect droplet ionization process and the ejection of neutral Rydberg dimers on a similar time scale as the n = 3 Rydberg atoms.

  19. Frequency metrology of helium around 1083 nm and determination of the nuclear charge radius

    CERN Document Server

    Pastor, P Cancio; Giusfredi, G; De Natale, P; Inguscio, M; Yerokhin, V A; Pachucki, K

    2012-01-01

    We measure the absolute frequency of seven out of the nine allowed transitions between the 2^3S and 2^3P hyperfine manifolds in a metastable ^3He beam by using an optical frequency comb synthesizer-assisted spectrometer. The relative uncertainty of our measurements ranges from 1x10^{-11} to 5x10^{-12}, which is, to our knowledge,the most precise result for any optical ^3He transition to date. The resulting 2^3P-2^3S centroid frequency is 276702827203.1 (2.3) kHz. Comparing this value with the known result for the ^4He centroid and performing {\\em ab initio} QED calculations of the ^4He-^3He isotope shift, we extract the difference of the squared nuclear charge radii \\delta r^2 of ^3He and ^4He. Our result for \\delta r^2=1.075 (3) fm^2 disagrees by about 4 sigma with the recent determination [R. van Rooij {\\em et al.}, Science {\\bf 333}, 196 (2011)].

  20. Electric Vehicle (EV) Charging Management with Dynamic Distribution System Tariff

    DEFF Research Database (Denmark)

    O'Connell, Niamh; Wu, Qiuwei; Østergaard, Jacob

    2011-01-01

    congestions in local distribution systems from the day-ahead planning perspective. Locational marginal pricing method was used to determine the dynamic distribution system tariff based on predicted day-ahead spot prices and predicted charging behaviors. Distribution grids of the Bornholm power system were......An electric vehicle (EV) charging schedule algorithm was proposed in this paper in order to charge EVs to meet EV users’ driving needs with the minimum EV charging cost and respect the local distribution system constraints. A day-ahead dynamic distribution system tariff scheme was proposed to avoid...

  1. Space-charge dynamics of polymethylmethacrylate under electron beam irradiation

    CERN Document Server

    Gong, H; Ong, C K

    1997-01-01

    Space-charge dynamics of polymethylmethacrylate (PMMA) under electron beam irradiation has been investigated employing a scanning electron microscope. Assuming a Gaussian space-charge distribution, the distribution range (sigma) has been determined using a time-resolved current method in conjunction with a mirror image method. sigma is found to increase with irradiation time and eventually attain a stationary value. These observations have been discussed by taking into account radiation-induced conductivity and charge mobility. (author)

  2. Brownian dynamics determine universality of charge transport in ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Sangoro, Joshua R [ORNL; Iacob, Ciprian [University of Leipzig; Mierzwa, Michal [University of Silesia, Uniwersytecka, Katowice, Poland; Paluch, Marian [University of Silesia, Uniwersytecka, Katowice, Poland; Kremer, Friedrich [University of Leipzig

    2012-01-01

    Broadband dielectric spectroscopy is employed to investigate charge transport in a variety of glass-forming ionic liquids over wide frequency, temperature and pressure ranges. Using a combination of Einstein, Einstein-Smoluchowski, and Langevin relations, the observed universal scaling of charge transport in ionic liquids is traced back to the dominant role of Brownian dynamics.

  3. Ohm's law in the fast lane: general relatiivistic charge dynamics

    Science.gov (United States)

    Meier, D.

    2004-01-01

    Fully relativistic and causal equations for the flow of charge in curved spacetime are derived. It is believed that this is the first set of equations to be published that correctly describes the flow of charge, as well as the evolution of the electromagnetic field, in highly dynamical relativistic environments on timescales much shorter than the collapse time (GM/c3).

  4. Thermodynamical and dynamical properties of charged BTZ black holes

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Zi-Yu; Wang, Bin [Shanghai Jiao Tong University, Department of Physics and Astronomy, Center for Astronomy and Astrophysics, Shanghai (China); Zhang, Cheng-Yong [Peking University, Center for High-Energy Physics, Beijing (China); Kord Zangeneh, Mahdi [Shanghai Jiao Tong University, Department of Physics and Astronomy, Center for Astronomy and Astrophysics, Shanghai (China); Shahid Chamran University of Ahvaz, Physics Department, Faculty of Science, Ahvaz (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM)-Maragha, P. O. Box: 55134-441, Maragha (Iran, Islamic Republic of); Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of); Saavedra, Joel [Pontificia Universidad Catolica de Valparaiso, Instituto de Fisica, Valparaiso (Chile)

    2017-06-15

    We investigate the spacetime properties of BTZ black holes in the presence of the Maxwell field and Born-Infeld field and find rich properties in the spacetime structures when the model parameters are varied. Employing Landau-Lifshitz theory, we examine the thermodynamical phase transition in the charged BTZ black holes. We further study the dynamical perturbation in the background of the charged BTZ black holes and find different properties in the dynamics when the thermodynamical phase transition occurs. (orig.)

  5. Statics and dynamics of strongly charged soft matter

    Energy Technology Data Exchange (ETDEWEB)

    Boroudjerdi, H. [Physics Department, TU Munich, 85748 Garching (Germany); Kim, Y.-W. [Physics Department, TU Munich, 85748 Garching (Germany); Naji, A. [Physics Department, TU Munich, 85748 Garching (Germany); Netz, R.R. [Physics Department, TU Munich, 85748 Garching (Germany)]. E-mail: netz@ph.tum.de; Schlagberger, X. [Physics Department, TU Munich, 85748 Garching (Germany); Serr, A. [Physics Department, TU Munich, 85748 Garching (Germany)

    2005-09-01

    Soft matter materials, such as polymers, membranes, proteins, are often electrically charged. This makes them water soluble, which is of great importance in technological application and a prerequisite for biological function. We discuss a few static and dynamic systems that are dominated by charge effects. One class comprises complexation between oppositely charged objects, for example the adsorption of charged ions or charged polymers on oppositely charged substrates of different geometry. Here the main questions are whether adsorption occurs and what the effective charge of the resulting complex is. We explicitly discuss the adsorption behavior of polyelectrolytes on substrates of planar, cylindrical and spherical geometry with specific reference to DNA adsorption on supported charged lipid layers, DNA adsorption on oppositely charged cylindrical dendro-polymers, and DNA binding on globular histone proteins, respectively. In all these systems salt plays a crucial role, and some of the important features can already be obtained on the linear Debye-Hueckel level. The second class comprises effective interactions between similarly charged objects. Here the main theme is to understand the experimental finding that similarly and highly charged bodies attract each other in the presence of multi-valent counterions. This is demonstrated using field-theoretic arguments as well as Monte-Carlo simulations for the case of two homogeneously charged bodies. Realistic surfaces, on the other hand, are corrugated and also exhibit modulated charge distributions, which is important for static properties such as the counterion-density distribution, but has even more pronounced consequences for dynamic properties such as the counterion mobility. More pronounced dynamic effects are obtained with highly condensed charged systems in strong electric fields. Likewise, an electrostatically collapsed highly charged polymer is unfolded and oriented in strong electric fields. All charged

  6. Charge Carrier Dynamics at Silver Nanocluster-Molecular Acceptor Interfaces

    KAUST Repository

    Almansaf, Abdulkhaleq

    2017-07-01

    A fundamental understanding of interfacial charge transfer at donor-acceptor interfaces is very crucial as it is considered among the most important dynamical processes for optimizing performance in many light harvesting systems, including photovoltaics and photo-catalysis. In general, the photo-generated singlet excitons in photoactive materials exhibit very short lifetimes because of their dipole-allowed spin radiative decay and short diffusion lengths. In contrast, the radiative decay of triplet excitons is dipole forbidden; therefore, their lifetimes are considerably longer. The discussion in this thesis primarily focuses on the relevant parameters that are involved in charge separation (CS), charge transfer (CT), intersystem crossing (ISC) rate, triplet state lifetime, and carrier recombination (CR) at silver nanocluster (NCs) molecular-acceptors interfaces. A combination of steady-state and femto- and nanosecond broadband transient absorption spectroscopies were used to investigate the charge carrier dynamics in various donor-acceptor systems. Additionally, this thesis was prolonged to investigate some important factors that influence the charge carrier dynamics in Ag29 silver NCs donor-acceptor systems, such as the metal doping and chemical structure of the nanocluster and molecular acceptors. Interestingly, clear correlations between the steady-state measurements and timeresolved spectroscopy results are found. In the first study, we have investigated the interfacial charge transfer dynamics in positively charged meso units of 5, 10, 15, 20-tetra (1- methyl-4-pyridino)-porphyrin tetra (p-toluene sulfonate) (TMPyP) and neutral charged 5, 10, 15, 20-tetra (4-pyridyl)-porphyrin (TPyP), with negatively charged undoped and gold (Au)- doped silver Ag29 NCs. Moreover, this study showed the impact of Au doping on the charge carrier dynamics of the system. In the second study, we have investigated the interfacial charge transfer dynamics in [Pt2 Ag23 Cl7 (PPh3

  7. Long term charge retention dynamics of SONOS cells

    Science.gov (United States)

    Arreghini, A.; Akil, N.; Driussi, F.; Esseni, D.; Selmi, L.; van Duuren, M. J.

    2008-09-01

    We present a model for charge retention dynamics in SONOS non volatile memory cells which accounts for the space and energy distributions of the trapped charge in the silicon nitride, self consistently with the potential. Long term retention measurements (beyond 106 s) versus temperature allowed us to decouple two charge loss mechanisms, to calibrate the model parameters and then to reproduce a large set of measurements on devices featuring different gate stacks, initial threshold voltages (including negative ones) and operation temperatures. A detailed analysis has been also carried out to compare the retention dynamics of cells featuring thin or thick tunnel oxide barriers.

  8. Modeling the dynamic response of pressures in a distributed helium refrigeration system

    Energy Technology Data Exchange (ETDEWEB)

    Brubaker, John Carl [Illinois Inst. of Technology, Chicago, IL (United States)

    1997-12-01

    A mathematical model is created of the dynamic response of pressures caused by flow inputs to an existing distributed helium refrigeration system. The dynamic system studied consists of the suction and discharge pressure headers and compressor portions of the refrigeration system used to cool the superconducting magnets of the Tevatron accelerator at the Fermi National Accelerator Laboratory. The modeling method involves identifying the system from data recorded during a series of controlled tests, with effort made to detect locational differences in pressure response around the four mile accelerator circumference. A review of the fluid mechanics associated with the system indicates linear time invariant models are suitable for the identification, particularly since the governing equations of one dimensional fluid flow are approximated by linear differential equations. An outline of the experimental design and the data acquisition system are given, followed by a detailed description of the modeling, which utilized the Matlab programming language and associated System Identification Toolbox. Two representations of the system are presented. One, a black box model, provides a multi-input, multi-output description assembled from the results of single input step function testing. This description indicates definite variation in pressure response with distance from the flow input location, and also suggests subtle differences in response with the input location itself. A second system representation is proposed which details the relation between continuous flow changes and pressure response, and provides explanation of a previously unappreciated pressure feedback internal to the system.

  9. Thermoelectric studies of charge density wave dynamics.

    Science.gov (United States)

    McDonald, Ross; Harrison, Neil; Singleton, John

    2008-03-01

    The conventional pyroelectric effect is intimately connected to the symmetry, or rather lack of center of symmetry, of the material. Although the experiments we discuss involve studies of low symmetry materials, the pyroelectric currents observed are of an entirely new origin. Systems with broken-translational-symmetry phases that incorporate orbital quantization can exhibit significant departures from thermodynamic equilibrium due to a change in magnetic induction. For charge density wave systems, this metastable state consists of a balance between the density-wave pinning force and the Lorentz force on the extended currents due to the drift of cyclotron orbits. In this way the density wave pinning potential plays a similar role to the edge potential in a two-dimensional electron gas, leading to a large Hall angle and quantization of the Hall resistance. A thermal perturbation that reduces the pinning potential returns the system towards thermal equilibrium, via a phason avalanche orthogonal to the sample surface. The observation of this new form of pyroelectric effect in the high magnetic field phase (B > 30 T) of the organic charge transfer salt α-(BEDT-TTF)2KHg(SCN)4, thus provides a measure of the phason thermopower.

  10. The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation

    Science.gov (United States)

    Gong, Hengfeng; Wang, Chengbin; Zhang, Wei; Xu, Jian; Huai, Ping; Deng, Huiqiu; Hu, Wangyu

    2016-02-01

    Using molecular dynamics simulation, we investigated the energy and stability of helium-related cluster in nickel. All the binding energies of the He-related clusters are demonstrated to be positive and increase with the cluster sizes. Due to the pre-existed self-interstitial nickel atom, the trapping capability of vacancy to defects becomes weak. Besides, the minimum energy configurations of He-related clusters exhibit the very high symmetry in the local atomistic environment. And for the HeN and HeNV1SIA1 clusters, the average length of He-He bonds shortens, but it elongates for the HeNV1 clusters with helium cluster sizes. The helium-to-vacancy ratio plays a decisive role on the binding energies of HeNVM cluster. These results can provide some excellent clues to insight the initial stage of helium bubbles nucleation and growth in the Ni-based alloys for the Generation-IV Molten Salt Reactor.

  11. Quantum dynamics of charge state in silicon field evaporation

    Directory of Open Access Journals (Sweden)

    Elena P. Silaeva

    2016-08-01

    Full Text Available The charge state of an ion field-evaporating from a silicon-atom cluster is analyzed using time-dependent density functional theory coupled to molecular dynamics. The final charge state of the ion is shown to increase gradually with increasing external electrostatic field in agreement with the average charge state of silicon ions detected experimentally. When field evaporation is triggered by laser-induced electronic excitations the charge state also increases with increasing intensity of the laser pulse. At the evaporation threshold, the charge state of the evaporating ion does not depend on the electrostatic field due to the strong contribution of laser excitations to the ionization process both at low and high laser energies. A neutral silicon atom escaping the cluster due to its high initial kinetic energy is shown to be eventually ionized by external electrostatic field.

  12. Circuit Modeling of a MEMS Varactor Including Dielectric Charging Dynamics

    Science.gov (United States)

    Giounanlis, P.; Andrade-Miceli, D.; Gorreta, S.; Pons-Nin, J.; Dominguez-Pumar, M.; Blokhina, E.

    2016-10-01

    Electrical models for MEMS varactors including the effect of dielectric charging dynamics are not available in commercial circuit simulators. In this paper a circuit model using lumped ideal elements available in the Cadence libraries and a basic Verilog-A model, has been implemented. The model has been used to simulate the dielectric charging in function of time and its effects over the MEMS capacitance value.

  13. Electric Vehicle Smart Charging using Dynamic Price Signal

    DEFF Research Database (Denmark)

    Martinenas, Sergejus; Pedersen, Anders Bro; Marinelli, Mattia

    2014-01-01

    With yearly increases in Electric Vehicle (EV) sales, the future for electric mobility continues to brighten, and with more vehicles hitting the roads every day, the energy requirements on the grid will increase, potentially causing low-voltage distribution grid congestion. This problem can...... proposed in this paper, involves a real-time control strategy for charging the EV using a dynamic price tariff, with the objective of minimizing the charging cost. Two different charging scenario are investigated, and the results are verified by experiments on a real Electric Vehicle. Finally, the costs...

  14. Path integral Monte Carlo and density functional molecular dynamics simulations of hot, dense helium

    Science.gov (United States)

    Militzer, B.

    2009-04-01

    Two first-principles simulation techniques, path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD), are applied to study hot, dense helium in the density-temperature range of 0.387-5.35gcm-3 and 500K-1.28×108K . One coherent equation of state is derived by combining DFT-MD data at lower temperatures with PIMC results at higher temperatures. Good agreement between both techniques is found in an intermediate-temperature range. For the highest temperatures, the PIMC results converge to the Debye-Hückel limiting law. In order to derive the entropy, a thermodynamically consistent free-energy fit is used that reproduces the internal energies and pressure derived from the first-principles simulations. The equation of state is presented in the form of a table as well as a fit and is compared with different free-energy models. Pair-correlation functions and the electronic density of states are discussed. Shock Hugoniot curves are compared with recent laser shock-wave experiments.

  15. Array of surface-confined glow discharges in atmospheric pressure helium: Modes and dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Li, D.; Liu, D. X., E-mail: liudingxin@gmail.com, E-mail: mglin5g@gmail.com [Center for Plasma Biomedicine, State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Shaanxi (China); Nie, Q. Y.; Li, H. P. [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Chen, H. L. [Frank Reidy Center for Bioelectrics, Old Dominion University, Norfolk, Virginia 23508 (United States); Kong, M. G., E-mail: liudingxin@gmail.com, E-mail: mglin5g@gmail.com [Center for Plasma Biomedicine, State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Shaanxi (China); Frank Reidy Center for Bioelectrics, Old Dominion University, Norfolk, Virginia 23508 (United States); Department of Electrical and Computer Engineering, Old Dominion University, Norfolk, Virginia 23529 (United States)

    2014-05-19

    Array of atmospheric pressure surface discharges confined by a two-dimensional hexagon electrode mesh is studied for its discharge modes and temporal evolution so as to a theoretical underpinning to their growing applications in medicine, aerodynamic control, and environmental remediation. Helium plasma surface-confined by one hexagon-shaped rim electrode is shown to evolve from a Townsend mode to a normal and abnormal glow mode, and its evolution develops from the rim electrodes as six individual microdischarges merging in the middle of the hexagon mesh element. Within one hexagon element, microdischarges remain largely static with the mesh electrode being the instantaneous cathode, but move towards the hexagon center when the electrode is the instantaneous anode. On the entire array electrode surface, plasma ignition is found to beat an unspecific hexagon element and then spreads to ignite surrounding hexagon elements. The spreading of microdischarges is in the form of an expanding circle at a speed of about 3 × 10{sup 4} m/s, and their quenching starts in the location of the initial plasma ignition. Plasma modes influence how input electrical power is used to generate and accelerate electrons and as such the reaction chemistry, whereas plasma dynamics are central to understand and control plasma instabilities. The present study provides an important aspect of plasma physics of the atmospheric surface-confined discharge array and a theoretical underpinning to its future technological innovation.

  16. Particle dynamics in wall-bounded thermal counterflow of superfluid helium

    Science.gov (United States)

    La Mantia, M.

    2017-06-01

    The motions of relatively small particles in wall-bounded thermal counterflow of superfluid helium are experimentally investigated, above 1 K, by using the particle tracking velocimetry technique. The effect of a solid boundary on this quantum flow has received little attention to date, and the focus here is on the corresponding flow-induced particle dynamics. The velocity and velocity difference statistical distributions of the particles are computed at length scales straddling two orders of magnitude across the mean distance between quantized vortices, the quantum length scale of the flow. The imposed counterflow velocity ranges between about 2 and 7 mm/s, resulting in suitably defined Reynolds numbers up to 20 000. The distributions are found to be wider in the bulk than close to the solid boundary, at small enough scales, and this suggests that the mean distance between the vortices increases with the distance from the wall. The outcome reinforces the view, supported to date solely by numerical simulations, that in thermal counterflow quantized vortices are not homogenously distributed in the channel and that they preferentially concentrate close to its walls. Boundary layers might therefore also exist in quantum flows, although some of their features appear to be significantly different from those attributed to wall-bounded flows of viscous fluids, due to the presence of quantized vortices.

  17. Dynamic electrophoresis of charged colloids in an oscillating electric field.

    Science.gov (United States)

    Shih, Chunyu; Yamamoto, Ryoichi

    2014-06-01

    The dynamics of charged colloids in an electrolyte solution is studied using direct numerical simulations via the smoothed profile method. We calculated the complex electrophoretic mobility μ(ω) of the charged colloids under an oscillating electric field of frequency ω. We show the existence of three dynamically distinct regimes, determined by the momentum diffusion and ionic diffusion time scales. The present results agree well with approximate theories based on the cell model in dilute suspensions; however, systematic deviations between the simulation results and theoretical predictions are observed as the volume fraction of colloids is increased, similar to the case of constant electric fields.

  18. Dynamics of transportan in bicelles is surface charge dependent

    Energy Technology Data Exchange (ETDEWEB)

    Barany-Wallje, Elsa; Andersson, August; Graeslund, Astrid; Maeler, Lena [Stockholm University, Department of Biochemistry and Biophysics, Arrhenius Laboratories (Sweden)], E-mail: lena.maler@dbb.su.se

    2006-06-15

    In this study we investigated the dynamic behavior of the chimeric cell-penetrating peptide transportan in membrane-like environments using NMR. Backbone amide {sup 15}N spin relaxation was used to investigate the dynamics in two bicelles: neutral DMPC bicelles and partly negatively charged DMPG-containing bicelles. The structure of the peptide as judged from CD and chemical shifts is similar in the two cases. Both the overall motion as well as the local dynamics is, however, different in the two types of bicelles. The overall dynamics of the peptide is significantly slower in the partly negatively charged bicelle environment, as evidenced by longer global correlation times for all measured sites. The local motion, as judged from generalized order parameters, is for all sites in the peptide more restricted when bound to negatively charged bicelles than when bound to neutral bicelles (increase in S{sup 2} is on average 0.11 {+-} 0.07). The slower dynamics of transportan in charged membrane model systems cause significant line broadening in the proton NMR spectrum, which in certain cases limits the observation of {sup 1}H signals for transportan when bound to the membrane. The effect of transportan on DMPC and DHPC motion in zwitterionic bicelles was also investigated, and the motion of both components in the bicelle was found to be affected.

  19. Space charges can significantly affect the dynamics of accelerator maps

    Science.gov (United States)

    Bountis, Tassos; Skokos, Charalampos

    2006-10-01

    Space charge effects can be very important for the dynamics of intense particle beams, as they repeatedly pass through nonlinear focusing elements, aiming to maximize the beam's luminosity properties in the storage rings of a high energy accelerator. In the case of hadron beams, whose charge distribution can be considered as “frozen” within a cylindrical core of small radius compared to the beam's dynamical aperture, analytical formulas have been recently derived [C. Benedetti, G. Turchetti, Phys. Lett. A 340 (2005) 461] for the contribution of space charges within first order Hamiltonian perturbation theory. These formulas involve distribution functions which, in general, do not lead to expressions that can be evaluated in closed form. In this Letter, we apply this theory to an example of a charge distribution, whose effect on the dynamics can be derived explicitly and in closed form, both in the case of 2-dimensional as well as 4-dimensional mapping models of hadron beams. We find that, even for very small values of the “perveance” (strength of the space charge effect) the long term stability of the dynamics changes considerably. In the flat beam case, the outer invariant “tori” surrounding the origin disappear, decreasing the size of the beam's dynamical aperture, while beyond a certain threshold the beam is almost entirely lost. Analogous results in mapping models of beams with 2-dimensional cross section demonstrate that in that case also, even for weak tune depressions, orbital diffusion is enhanced and many particles whose motion was bounded now escape to infinity, indicating that space charges can impose significant limitations on the beam's luminosity.

  20. Space charges can significantly affect the dynamics of accelerator maps

    Energy Technology Data Exchange (ETDEWEB)

    Bountis, Tassos [Department of Mathematics, University of Patras, GR-26500 Patras (Greece) and Center for Research and Applications of Nonlinear Systems (CRANS), University of Patras, GR-26500 Patras (Greece)]. E-mail: tassos50@otenet.gr; Skokos, Charalampos [Center for Research and Applications of Nonlinear Systems (CRANS), University of Patras, GR-26500 Patras (Greece)

    2006-10-09

    Space charge effects can be very important for the dynamics of intense particle beams, as they repeatedly pass through nonlinear focusing elements, aiming to maximize the beam's luminosity properties in the storage rings of a high energy accelerator. In the case of hadron beams, whose charge distribution can be considered as 'frozen' within a cylindrical core of small radius compared to the beam's dynamical aperture, analytical formulas have been recently derived [C. Benedetti, G. Turchetti, Phys. Lett. A 340 (2005) 461] for the contribution of space charges within first order Hamiltonian perturbation theory. These formulas involve distribution functions which, in general, do not lead to expressions that can be evaluated in closed form. In this Letter, we apply this theory to an example of a charge distribution, whose effect on the dynamics can be derived explicitly and in closed form, both in the case of 2-dimensional as well as 4-dimensional mapping models of hadron beams. We find that, even for very small values of the 'perveance' (strength of the space charge effect) the long term stability of the dynamics changes considerably. In the flat beam case, the outer invariant 'tori' surrounding the origin disappear, decreasing the size of the beam's dynamical aperture, while beyond a certain threshold the beam is almost entirely lost. Analogous results in mapping models of beams with 2-dimensional cross section demonstrate that in that case also, even for weak tune depressions, orbital diffusion is enhanced and many particles whose motion was bounded now escape to infinity, indicating that space charges can impose significant limitations on the beam's luminosity.

  1. Coarse-grained molecular dynamics simulation of binary charged lipid membranes: Phase separation and morphological dynamics

    CERN Document Server

    Ito, Hiroaki; Shimokawa, Naofumi

    2016-01-01

    Biomembranes, which are mainly composed of neutral and charged lipids, exhibit a large variety of functional structures and dynamics. Here, we report a coarse-grained molecular dynamics (MD) simulation of the phase separation and morphological dynamics in charged lipid bilayer vesicles. The screened long-range electrostatic repulsion among charged head groups delays or inhibits the lateral phase separation in charged vesicles compared with neutral vesicles, suggesting the transition of the phase-separation mechanism from spinodal decomposition to nucleation or homogeneous dispersion. Moreover, the electrostatic repulsion causes morphological changes, such as pore formation, and further transformations into disk, string, and bicelle structures, which are spatiotemporally coupled to the lateral segregation of charged lipids. Based on our coarse-grained MD simulation, we propose a plausible mechanism of pore formation at the molecular level. The pore formation in a charged-lipid-rich domain is initiated by the p...

  2. Plasma Instabilities in the Context of Current Helium Sedimentation Models: Dynamical Implications for the ICM in Galaxy Clusters

    CERN Document Server

    Berlok, Thomas

    2015-01-01

    Understanding whether Helium can sediment to the core of galaxy clusters is important for a number of problems in cosmology and astrophysics. All current models addressing this question are one-dimensional and do not account for the fact that magnetic fields can effectively channel ions and electrons, leading to anisotropic transport of momentum, heat, and particle diffusion in the weakly collisional intracluster medium (ICM). This anisotropy can lead to a wide variety of instabilities, which could be relevant for understanding the dynamics of heterogeneous media. In this paper, we consider the radial temperature and composition profiles as obtained from a state-of-the-art Helium sedimentation model and analyze its stability properties. We find that the associated radial profiles are unstable, to different kinds of instabilities depending on the magnetic field orientation, at all radii. The fastest growing modes are usually related to generalizations of the Magnetothermal Instability (MTI) and the Heat-flux-d...

  3. Dynamics of charged gibbsite platelets in the isotropic phase

    NARCIS (Netherlands)

    Kleshchanok, D.; Heinen, M.; Nägele, G.; Holmqvist, P.

    2012-01-01

    We report on depolarized and non-depolarized dynamic light scattering , static light scattering , and steady shear viscosity measurements on interacting charge-stabilized gibbsite platelets suspended in dimethyl sulfoxide (DMSO). The average collective and (long-time) translational self-diffusion co

  4. Sodium dopants in helium clusters: Structure, equilibrium and submersion kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Calvo, F. [Laboratoire Interdisciplinaire de Physique, Rue de La Piscine, Campus Saint Martin d’Hères, 38000 Grenoble (France)

    2015-12-31

    Alkali impurities bind to helium nanodroplets very differently depending on their size and charge state, large neutral or charged dopants being wetted by the droplet whereas small neutral impurities prefer to reside aside. Using various computational modeling tools such as quantum Monte Carlo and path-integral molecular dynamics simulations, we have revisited some aspects of the physical chemistry of helium droplets interacting with sodium impurities, including the onset of snowball formation in presence of many-body polarization forces, the transition from non-wetted to wetted behavior in larger sodium clusters, and the kinetics of submersion of small dopants after sudden ionization.

  5. Dynamics of Charged Particulate Systems Modeling, Theory and Computation

    CERN Document Server

    Zohdi, Tarek I

    2012-01-01

    The objective of this monograph is to provide a concise introduction to the dynamics of systems comprised of charged small-scale particles. Flowing, small-scale, particles ("particulates'') are ubiquitous in industrial processes and in the natural sciences. Applications include electrostatic copiers, inkjet printers, powder coating machines, etc., and a variety of manufacturing processes. Due to their small-scale size, external electromagnetic fields can be utilized to manipulate and control charged particulates in industrial processes in order to achieve results that are not possible by purely mechanical means alone. A unique feature of small-scale particulate flows is that they exhibit a strong sensitivity to interparticle near-field forces, leading to nonstandard particulate dynamics, agglomeration and cluster formation, which can strongly affect manufactured product quality. This monograph also provides an introduction to the mathematically-related topic of the dynamics of swarms of interacting objects, ...

  6. Brownian Dynamics of charged particles in a constant magnetic field

    CERN Document Server

    Hou, L J; Piel, A; Shukla, P K

    2009-01-01

    Numerical algorithms are proposed for simulating the Brownian dynamics of charged particles in an external magnetic field, taking into account the Brownian motion of charged particles, damping effect and the effect of magnetic field self-consistently. Performance of these algorithms is tested in terms of their accuracy and long-time stability by using a three-dimensional Brownian oscillator model with constant magnetic field. Step-by-step recipes for implementing these algorithms are given in detail. It is expected that these algorithms can be directly used to study particle dynamics in various dispersed systems in the presence of a magnetic field, including polymer solutions, colloidal suspensions and, particularly complex (dusty) plasmas. The proposed algorithms can also be used as thermostat in the usual molecular dynamics simulation in the presence of magnetic field.

  7. Nucleon axial and tensor charges with dynamical overlap quarks

    CERN Document Server

    Yamanaka, N; Hashimoto, S; Kaneko, T

    2015-01-01

    We report on our calculation of the nucleon axial and tensor charges in 2+1-flavor QCD with dynamical overlap quarks. Gauge ensembles are generated at a single lattice spacing 0.12 fm and at a strange quark mass close to its physical value. We employ the all-mode-averaging technique to calculate the relevant nucleon correlation functions, and the disconnected quark loop is efficiently calculated by using the all-to-all quark propagator. We present our preliminary results for the isoscalar and isovector charges obtained at pion masses $m_\\pi$ = 450 and 540 MeV.

  8. Charge carrier dynamics in thin film solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Strothkaemper, Christian

    2013-06-24

    This work investigates the charge carrier dynamics in three different technological approaches within the class of thin film solar cells: radial heterojunctions, the dye solar cell, and microcrystalline CuInSe{sub 2}, focusing on charge transport and separation at the electrode, and the relaxation of photogenerated charge carriers due to recombination and energy dissipation to the phonon system. This work relies mostly on optical-pump terahertz-probe (OPTP) spectroscopy, followed by transient absorption (TA) and two-photon photoemission (2PPE). The charge separation in ZnO-electrode/In{sub 2}S{sub 3}-absorber core/shell nanorods, which represent a model system of a radial heterojunction, is analyzed by OPTP. It is concluded, that the dynamics in the absorber are determined by multiple trapping, which leads to a dispersive charge transport to the electrode that lasts over hundreds of picoseconds. The high trap density on the order of 10{sup 19}/cm{sup 3} is detrimental for the injection yield, which exhibits a decrease with increasing shell thickness. The heterogeneous electron transfer from a series of model dyes into ZnO proceeds on a time-scale of 200 fs. However, the photoconductivity builds up just on a 2-10 ps timescale, and 2PPE reveals that injected electrons are meanwhile localized spatially and energetically at the interface. It is concluded that the injection proceeds through adsorbate induced interface states. This is an important result because the back reaction from long lived interface states can be expected to be much faster than from bulk states. While the charge transport in stoichiometric CuInSe{sub 2} thin films is indicative of free charge carriers, CuInSe{sub 2} with a solar cell grade composition (Cu-poor) exhibits signs of carrier localization. This detrimental effect is attributed to a high density of charged defects and a high degree of compensation, which together create a spatially fluctuating potential that inhibits charge transport. On

  9. State-Selective and Total Single-Capture Cross Sections for Fast Collisions of Multiply Charged Ions with Helium Atoms

    Science.gov (United States)

    Mančev, Ivan; Milojević, Nenad; Belkić, Dževad

    2013-11-01

    The four-body boundary corrected first Born approximation (CB1-4B) is used to calculate the single electron capture cross sections for collisions between fully stripped ions (He2+, Be4+, B5+ and C6+) and helium target at intermediate and high impact energies. The main goal of this study is to assess the usefulness of the CB1-4B method at intermediate and high impact energies for these collisions. Detailed comparisons with the measurements are carried out and the obtained theoretical cross sections are in reasonable agreement with the available experimental data.

  10. Interactions in charged colloidal suspensions: A molecular dynamics simulation study

    Science.gov (United States)

    Padidela, Uday Kumar; Behera, Raghu Nath

    2017-07-01

    Colloidal suspensions are extensively used in everyday life and find several applications in the pharmaceutical, chemical, food industries, etc. We present the classical molecular dynamics simulation results of the structural and transport properties of charged colloidal suspensions as a function of its size, charge and concentration. The system is viewed as a two-component (colloids and counterions) primitive model consisting of spherical colloid particle (macroion) and the counterions (micro-particles), which are treated explicitly. The solvent is treated as dielectric continuum. A systematic trend in the radial distribution functions g(r), potential of mean force W(r), different thermodynamic properties and diffusion coefficients is obtained as a function of colloid charge, size and concentration. An attractive minimum in W(r) is obtained at short interparticle distance.

  11. Material Discovery and Design with Dynamic Charge Reactive Potentials

    Science.gov (United States)

    Sinnott, Susan

    2015-03-01

    Atomic scale computational simulations of multi-phase systems is increasingly important as our ability to simulate nanometer-sized systems becomes routine. The recently developed charge optimized many body potential (COMB) potentials have significantly enhanced our ability to carry out atomic-scale simulations of heterogeneous material systems. The formalism of this potential combines variable charge electrostatic interactions with a classical analytical bond-order potential. It therefore has the capacity to adaptively model metallic, covalent, ionic, and van der Waals bonding within the same simulation cell and dynamically determine the charges on individual atoms according to the local environment. The utility of the COMB potentials is illustrated for materials design and discovery by exploring the structure, stability, mechanical properties, and thermal properties of intermetallic systems and oxide-metal interfaces. They are also used to address key questions associated with corrosion, thin film growth, and heterogeneous catalysis.

  12. Dynamics in the Charged Time Conformal Schwarzschild Black Hole

    CERN Document Server

    Jawad, Abdul; Shahzad, M Umair; Abbas, G

    2016-01-01

    In this work, we present the new technique for discussing the dynamical motion of neutral as well as charged particles in the absence/presence of magnetic field around the time conformal Schwarzschild black hole. Initially, we find the numerical solutions of geodesics of Schwarzschild black hole and the time conformal Schwarzschild black hole. We observe that the Schwarzschild spacetime admits the time conformal factor $e^{\\epsilon f(t)}$, where $f(t)$ is an arbitrary function and $\\epsilon$ is very small which causes the perturbation in the spacetimes. This technique also re-scale the energy content of spacetime. We also investigate the thermal stability, horizons and energy conditions corresponding time conformal Schwarzschild spacetime. Also, we examine the dynamics of neutral and charged particle around time conformal Schwarzschild black hole. We investigate the circumstances under which the particle can escape from vicinity of black hole after collision with another particle. We analyze the effective pot...

  13. Charge Transport and Glassy Dynamics in Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Sangoro, Joshua R [ORNL; Kremer, Friedrich [University of Leipzig

    2012-01-01

    Ionic liquids (ILs) exhibit unique features such as low melting points, low vapor pressures, wide liquidus temperature ranges, high thermal stability, high ionic conductivity, and wide electrochemical windows. As a result, they show promise for use in variety of applications: as reaction media, in batteries and supercapacitors, in solar and fuel cells, for electrochemical deposition of metals and semiconductors, for protein extraction and crystallization, and many others. Because of the ease with which they can be supercooled, ionic liquids offer new opportunities to investigate long-standing questions regarding the nature of the dynamic glass transition and its possible link to charge transport. Despite the significant steps achieved from experimental and theoretical studies, no generally accepted quantitative theory of dynamic glass transition to date has been capable of reproducing all the experimentally observed features. In this Account, we discuss recent studies of the interplay between charge transport and glassy dynamics in ionic liquids as investigated by a combination of several experimental techniques including broadband dielectric spectroscopy, pulsed field gradient nuclear magnetic resonance, dynamic mechanical spectroscopy, and differential scanning calorimetry. Based on EinsteinSmoluchowski relations, we use dielectric spectra of ionic liquids to determine diffusion coefficients in quantitative agreement with independent pulsed field gradient nuclear magnetic resonance measurements, but spanning a broader range of more than 10 orders of magnitude. This approach provides a novel opportunity to determine the electrical mobility and effective number density of charge carriers as well as their types of thermal activation from the measured dc conductivity separately. We also unravel the origin of the remarkable universality of charge transport in different classes of glass-forming ionic liquids.

  14. Pulse Designed Coherent Dynamics of a Quantum Dot Charge Qubit

    Institute of Scientific and Technical Information of China (English)

    CAO Gang; WANG Li; TU Tao; LI Hai-Ou; XIAO Ming; GUO Guo-Ping

    2012-01-01

    We propose an effective method to design the working parameters of a pulse-driven charge qubit implemented with double quantum dot.It is shown that intrinsic qubit population leakage to undesired states in the control and measurement process can be determined by the simulation of coherent dynamics of the qubit and minimized by choosing proper working parameters such as pulse shape.The result demonstrated here bodes well for future quantum gate operations and quantum computing applications.

  15. Formation and properties of metal clusters isolated in helium droplets.

    Science.gov (United States)

    Tiggesbäumker, Josef; Stienkemeier, Frank

    2007-09-14

    The unique conditions forming atomic and molecular complexes and clusters using superfluid helium nanodroplets have opened up an innovative route for studying the physical and chemical properties of matter on the nanoscale. This review summarizes the specific characteristics of the formation of atomic clusters partly generated far from equilibrium in the helium environment. Special emphasis is on the optical response, electronic properties as well as dynamical processes which are mostly affected by the surrounding quantum matrix. Experiments include the optical induced response of isolated cluster systems in helium under quite different excitation conditions ranging from the linear regime up to the violent interaction with a strong laser field leading to Coulomb explosion and the generation of highly charged atomic fragments. The variety of results on the outstanding properties in the quantum size regime highlights the peculiar capabilities of helium nanodroplet isolation spectroscopy.

  16. Charge and Energy Transfer Dynamics in Molecular Systems

    CERN Document Server

    May, Volkhard

    2004-01-01

    This second edition is based on the successful concept of the first edition in presenting a unified perspective on molecular charge and energy transfer processes. The authors bridge the regimes of coherent and dissipative dynamics, thus establishing the connection between classic rate theories and modern treatments of ultrafast phenomena. The book serves as an introduction for graduate students and researchers. Among the new topics of this second edition are. - semiclassical and quantum-classical hybrid formulations of molecular dynamics. - the basics of femtosecond nonlinear spectroscopy. - e

  17. Path-integral molecular dynamics simulations of BeO embedded in helium clusters: Formation of the stable HeBeO complex

    Science.gov (United States)

    Motegi, Haruki; Kakizaki, Akira; Takayanagi, Toshiyuki; Taketsugu, Yuriko; Taketsugu, Tetsuya; Shiga, Motoyuki

    2008-12-01

    Path-integral molecular dynamics simulations have been performed to understand the quantum helium solvation structures in the He nBeO cluster up to n = 100. Our simulations show that one helium atom is strongly bound to BeO to form HeBeO and that the first solvation shell around the HeBeO complex includes roughly 12-14 helium atoms. The second solvation structure was also observed for n > 20. Both the first and second solvation shells show an anisotropic behavior but the anisotropy for the second solvation shell was found to be much weaker than that for the first solvation shell, as expected. The present simulations suggest that the HeBeO complex may be formed in large helium clusters.

  18. Path-integral molecular dynamics simulations of BeO embedded in helium clusters: Formation of the stable HeBeO complex

    Energy Technology Data Exchange (ETDEWEB)

    Motegi, Haruki; Kakizaki, Akira [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan); Takayanagi, Toshiyuki [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan)], E-mail: tako@mail.saitama-u.ac.jp; Taketsugu, Yuriko; Taketsugu, Tetsuya [Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810 (Japan); Shiga, Motoyuki [Center for Computational Science and E-systems, Japan Atomic Energy Agency, Higashi-Ueno 6-9-3, Taito-ku, Tokyo 110-0015 (Japan)

    2008-12-10

    Path-integral molecular dynamics simulations have been performed to understand the quantum helium solvation structures in the He{sub n}BeO cluster up to n = 100. Our simulations show that one helium atom is strongly bound to BeO to form HeBeO and that the first solvation shell around the HeBeO complex includes roughly 12-14 helium atoms. The second solvation structure was also observed for n > 20. Both the first and second solvation shells show an anisotropic behavior but the anisotropy for the second solvation shell was found to be much weaker than that for the first solvation shell, as expected. The present simulations suggest that the HeBeO complex may be formed in large helium clusters.

  19. Dynamic Properties of Helium Atmospheric Dielectric-Barrier-Discharge Plasma Jet.

    Science.gov (United States)

    Uchida, Giichiro; Takenaka, Kosuke; Miyazaki, Atsushi; Kawabata, Kazufumi; Setsuhara, Yuichi

    2015-03-01

    We present here experiments on helium atmospheric dielectric-barrier discharge jet in open air. A long stable plasma plume is realized at high applied voltage and high gas flow rate. Optical emission measurements show that the plasma plume consists of two part: a plume head with high energy electrons and a tail part with low energy electrons. The plasma plume propagates away from the quartz-tube outlet with about 30-80 km/sec along the helium gas flow channel. The propagation velocity of plasma plume is in the time scale of electron drift velocity, and the electric field plays an important role as a driving force of the plasma plume propagation.

  20. Oscillatory dynamics of a charged microbubble under ultrasound

    Indian Academy of Sciences (India)

    Thotreithem Hongray; B Ashok; J Balakrishnan

    2015-04-01

    Nonlinear oscillations of a bubble carrying a constant charge and suspended in a fluid, undergoing periodic forcing due to incident ultrasound are studied. The system exhibits period-doubling route to chaos and the presence of charge has the effect of advancing these bifurcations. The minimum magnitude of the charge min above which the bubble’s radial oscillations can occur above a certain velocity 1 is found to be related by a simple power law to the driving frequency of the acoustic wave. We find the existence of a critical frequency $_{H}$ above which uncharged bubbles necessarily have to oscillate at velocities below $c_{1}$. We further find that this critical frequency crucially depends upon the amplitude $P_{s}$ of the driving acoustic pressure wave. The temperature of the gas within the bubble is calculated. A critical value tr of $P_{s}$ equal to the upper transient threshold pressure demarcates two distinct regions of dependence of the maximal radial bubble velocity max and maximal internal temperature max. Above this pressure, max and max decrease with increasing , while below tr, they increase with . The dynamical effects of the charge, the driving pressure and frequency of ultrasound on the bubble are discussed.

  1. Charge carrier recombination dynamics in perovskite and polymer solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Paulke, Andreas; Kniepert, Juliane; Kurpiers, Jona; Wolff, Christian M.; Schön, Natalie; Brenner, Thomas J. K.; Neher, Dieter [Institute of Physics and Astronomy, University of Potsdam, Karl-Liebknecht-Str. 24–25, 14476, Potsdam (Germany); Stranks, Samuel D. [Clarendon Laboratory, Department of Physics, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States); Cavendish Laboratory, JJ Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Snaith, Henry J. [Clarendon Laboratory, Department of Physics, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom)

    2016-03-14

    Time-delayed collection field experiments are applied to planar organometal halide perovskite (CH{sub 3}NH{sub 3}PbI{sub 3}) based solar cells to investigate charge carrier recombination in a fully working solar cell at the nanosecond to microsecond time scale. Recombination of mobile (extractable) charges is shown to follow second-order recombination dynamics for all fluences and time scales tested. Most importantly, the bimolecular recombination coefficient is found to be time-dependent, with an initial value of ca. 10{sup −9} cm{sup 3}/s and a progressive reduction within the first tens of nanoseconds. Comparison to the prototypical organic bulk heterojunction device PTB7:PC{sub 71}BM yields important differences with regard to the mechanism and time scale of free carrier recombination.

  2. Andreas Acrivos Dissertation Prize Lecture: Quantum Mechanics meets Fluid Dynamics: Visualization of Vortex Reconnection in Superfluid Helium

    Science.gov (United States)

    Paoletti, Matthew

    2010-11-01

    Long-range quantum order underlies a number of related physical phenomena including superfluidity, superconductivity and Bose-Einstein condensation. While superfluidity in helium-4 was one of the earliest discovered, it is not the best understood, owing to the strong interactions present (making theoretical progress difficult) and the lack of local experimental probes. Quantum fluids, such as superfluid helium-4, are typically described as a mixture of two interpenetrating fluids with distinct velocity fields: a viscous normal fluid akin to water and an inviscid superfluid exhibiting long-range quantum order. In this "two-fluid model," there is no conventional viscous dissipation in the superfluid component and vorticity is confined to atomically-thin vortices with quantized circulation. Turbulence may occur in either fluid component with turbulence in the superfluid exhibiting a complex tangle of quantized vortices, as first envisioned by Feynman. Approximately five years ago, our group discovered that micron-sized hydrogen particles may be used for flow visualization in superfluid helium-4. The particles can trace the motions of the normal fluid or be trapped by the quantized vortices, which enables one to characterize the dynamics of both the normal fluid and superfluid components for the first time. By directly observing and tracking these particles, we have directly confirmed the two-fluid model, observed vortex rings and quantized vortex reconnection, characterized thermal counterflows, and observed the very peculiar nature of quantum turbulence. One of many surprising observations is the existence of power-law tails in the probability distribution of velocities in quantum turbulence, which are in stark contrast to the Gaussian distributions typical of classical fluid turbulence.

  3. Arbitrary amplitude electrostatic wave propagation in a magnetized dense plasma containing helium ions and degenerate electrons

    Science.gov (United States)

    Mahmood, S.; Sadiq, Safeer; Haque, Q.; Ali, Munazza Z.

    2016-06-01

    The obliquely propagating arbitrary amplitude electrostatic wave is studied in a dense magnetized plasma having singly and doubly charged helium ions with nonrelativistic and ultrarelativistic degenerate electrons pressures. The Fermi temperature for ultrarelativistic degenerate electrons described by N. M. Vernet [(Cambridge University Press, Cambridge, 2007), p. 57] is used to define ion acoustic speed in ultra-dense plasmas. The pseudo-potential approach is used to solve the fully nonlinear set of dynamic equations for obliquely propagating electrostatic waves in a dense magnetized plasma containing helium ions. The upper and lower Mach number ranges for the existence of electrostatic solitons are found which depends on the obliqueness of the wave propagation with respect to applied magnetic field and charge number of the helium ions. It is found that only compressive (hump) soliton structures are formed in all the cases and only subsonic solitons are formed for a singly charged helium ions plasma case with nonrelativistic degenerate electrons. Both subsonic and supersonic soliton hump structures are formed for doubly charged helium ions with nonrelativistic degenerate electrons and ultrarelativistic degenerate electrons plasma case containing singly as well as doubly charged helium ions. The effect of propagation direction on the soliton amplitude and width of the electrostatic waves is also presented. The numerical plots are also shown for illustration using dense plasma parameters of a compact star (white dwarf) from literature.

  4. Broken symmetry makes helium

    CERN Multimedia

    Gray, P L

    2003-01-01

    "The subatomic pion particle breaks the charge symmetry rule that governs both fusion and decay. In experiments performed at the Indiana University Cyclotron Laboratory, physicists forced heavy hydrogen (1 proton + 1 neutron) to fuse into helium in a controlled, measurable environment" (1 paragraph).

  5. Study of longitudinal dynamics in space-charge dominated beams

    Science.gov (United States)

    Tian, Kai

    Modern accelerator applications, such as heavy ion fusion drivers, pulsed neutron sources, electron injectors for high-energy linear colliders, and X-ray Free Electron Lasers, demand beams with high intensity, low emittance and small energy spread. At low (non-relativistic) energies, the "electrostatic", collective interactions from space-charge forces existing in such intense beams play the dominant role; we characterize these beams as space-charge dominated beams. This dissertation presents numerous new findings on the longitudinal dynamics of a space-charge dominated beam, particularly on the propagation of density perturbations. In order to fully understand the complex physics of longitudinal space-charge waves, we combine the results of theory, computer simulation, and experiment. In the Long Solenoid Experimental system (LSE), with numerous diagnostic tools and techniques, we have, for the first time, experimentally measured the detailed energy profiles of longitudinal space-charge waves at different locations, both near the beam source and at the end of the transport system. Along with the current profiles, we have a complete set of experimental data for the propagation of space-charge waves. We compare these measured results to a 1-D theory and find better agreement for beams with perturbations in the linear regime, where the perturbation strength is less than 10%, than those with nonlinear perturbations. Using fast imaging techniques that we newly developed, we have, for the first time, obtained the progressive time-resolved images of longitudinal slices of a space-charge dominated beam. These images not only provide us time-resolved transverse density distribution of the beam, but also enable us to take time-resolved transverse phase space measurement using computerized tomography. By combining this information with the longitudinal energy measurement, we have, for the first time, experimentally constructed the full 6-D phase space. Part of the results

  6. Explicit K-symplectic algorithms for charged particle dynamics

    Science.gov (United States)

    He, Yang; Zhou, Zhaoqi; Sun, Yajuan; Liu, Jian; Qin, Hong

    2017-02-01

    We study the Lorentz force equation of charged particle dynamics by considering its K-symplectic structure. As the Hamiltonian of the system can be decomposed as four parts, we are able to construct the numerical methods that preserve the K-symplectic structure based on Hamiltonian splitting technique. The newly derived numerical methods are explicit, and are shown in numerical experiments to be stable over long-term simulation. The error convergency as well as the long term energy conservation of the numerical solutions is also analyzed by means of the Darboux transformation.

  7. Dynamical image-charge effect in molecular tunnel junctions

    DEFF Research Database (Denmark)

    Jin, Chengjun; Thygesen, Kristian Sommer

    2014-01-01

    When an electron tunnels between two metal contacts it temporarily induces an image charge (IC) in the electrodes which acts back on the tunneling electron. It is usually assumed that the IC forms instantaneously such that a static model for the image potential applies. Here we investigate how th...... that the dynamical corrections can reduce the conductance by more than a factor of two when compared to static GW or density functional theory where the molecular energy levels have been shifted to match the exact quasiparticle levels....

  8. Low-temperature dynamic nuclear polarization with helium-cooled samples and nitrogen-driven magic-angle spinning.

    Science.gov (United States)

    Thurber, Kent; Tycko, Robert

    2016-03-01

    We describe novel instrumentation for low-temperature solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS), focusing on aspects of this instrumentation that have not been described in detail in previous publications. We characterize the performance of an extended interaction oscillator (EIO) microwave source, operating near 264 GHz with 1.5 W output power, which we use in conjunction with a quasi-optical microwave polarizing system and a MAS NMR probe that employs liquid helium for sample cooling and nitrogen gas for sample spinning. Enhancement factors for cross-polarized (13)C NMR signals in the 100-200 range are demonstrated with DNP at 25K. The dependences of signal amplitudes on sample temperature, as well as microwave power, polarization, and frequency, are presented. We show that sample temperatures below 30K can be achieved with helium consumption rates below 1.3 l/h. To illustrate potential applications of this instrumentation in structural studies of biochemical systems, we compare results from low-temperature DNP experiments on a calmodulin-binding peptide in its free and bound states.

  9. Low-temperature dynamic nuclear polarization with helium-cooled samples and nitrogen-driven magic-angle spinning

    Science.gov (United States)

    Thurber, Kent; Tycko, Robert

    2016-03-01

    We describe novel instrumentation for low-temperature solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS), focusing on aspects of this instrumentation that have not been described in detail in previous publications. We characterize the performance of an extended interaction oscillator (EIO) microwave source, operating near 264 GHz with 1.5 W output power, which we use in conjunction with a quasi-optical microwave polarizing system and a MAS NMR probe that employs liquid helium for sample cooling and nitrogen gas for sample spinning. Enhancement factors for cross-polarized 13C NMR signals in the 100-200 range are demonstrated with DNP at 25 K. The dependences of signal amplitudes on sample temperature, as well as microwave power, polarization, and frequency, are presented. We show that sample temperatures below 30 K can be achieved with helium consumption rates below 1.3 l/h. To illustrate potential applications of this instrumentation in structural studies of biochemical systems, we compare results from low-temperature DNP experiments on a calmodulin-binding peptide in its free and bound states.

  10. Deciphering the "chemical" nature of the exotic isotopes of hydrogen by the MC-QTAIM analysis: the positively charged muon and the muonic helium as new members of the periodic table.

    Science.gov (United States)

    Goli, Mohammad; Shahbazian, Shant

    2014-04-14

    This report is a primarily survey on the chemical nature of some exotic species containing the positively charged muon and the muonic helium, i.e., the negatively charged muon plus helium nucleus, as exotic isotopes of hydrogen, using the newly developed multi-component quantum theory of atoms in molecules (MC-QTAIM) analysis, employing ab initio non-Born-Oppenhiemer wavefunctions. Accordingly, the "atoms in molecules" analysis performed on various asymmetric exotic isotopomers of the hydrogen molecule, recently detected experimentally [Science, 2011, 331, 448], demonstrates that both the exotic isotopes are capable of forming atoms in molecules and retaining the identity of hydrogen atoms. Various derived properties of atomic basins containing the muonic helium cast no doubt that apart from its short life time, it is a heavier isotope of hydrogen while the properties of basins containing the positively charged muon are more remote from those of the orthodox hydrogen basins, capable of appreciable donation of electrons as well as large charge polarization. However, with some tolerance, they may also be categorized as hydrogen basins though with a smaller electronegativity. All in all, the present study also clearly demonstrates that the MC-QTAIM analysis is an efficient approach to decipher the chemical nature of species containing exotic constituents, which are difficult to elucidate by experimental and/or alternative theoretical schemes.

  11. Effect of helium on tensile properties of vanadium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Billone, M.C.; Smith, D.L. [Argonne National Lab., IL (United States)

    1997-08-01

    Tensile properties of V-4Cr-4Ti (Heat BL-47), 3Ti-1Si (BL-45), and V-5Ti (BL-46) alloys after irradiation in a conventional irradiation experiment and in the Dynamic Helium Charging Experiment (DHCE) were reported previously. This paper presents revised tensile properties of these alloys, with a focus on the effects of dynamically generated helium of ductility and work-hardening capability at <500{degrees}C. After conventional irradiation (negligible helium generation) at {approx}427{degrees}C, a 30-kg heat of V-4Cr-4Ti (BL-47) exhibited very low uniform elongation, manifesting a strong susceptibility to loss of work-hardening capability. In contrast, a 15-kg heat of V-3Ti-1Si (BL -45) exhibited relatively high uniform elongation ({approx}4%) during conventional irradiation at {approx}427{degrees}C, showing that the heat is resistant to loss of work-hardening capability.

  12. Atomically resolved phase transition of fullerene cations solvated in helium droplets

    Science.gov (United States)

    Kuhn, M.; Renzler, M.; Postler, J.; Ralser, S.; Spieler, S.; Simpson, M.; Linnartz, H.; Tielens, A. G. G. M.; Cami, J.; Mauracher, A.; Wang, Y.; Alcamí, M.; Martín, F.; Beyer, M. K.; Wester, R.; Lindinger, A.; Scheier, P.

    2016-11-01

    Helium has a unique phase diagram and below 25 bar it does not form a solid even at the lowest temperatures. Electrostriction leads to the formation of a solid layer of helium around charged impurities at much lower pressures in liquid and superfluid helium. These so-called `Atkins snowballs' have been investigated for several simple ions. Here we form HenC60+ complexes with n exceeding 100 via electron ionization of helium nanodroplets doped with C60. Photofragmentation of these complexes is measured by merging a tunable narrow-bandwidth laser beam with the ions. A switch from red- to blueshift of the absorption frequency of HenC60+ on addition of He atoms at n=32 is associated with a phase transition in the attached helium layer from solid to partly liquid (melting of the Atkins snowball). Elaborate molecular dynamics simulations using a realistic force field and including quantum effects support this interpretation.

  13. Liquid helium

    CERN Document Server

    Atkins, K R

    1959-01-01

    Originally published in 1959 as part of the Cambridge Monographs on Physics series, this book addresses liquid helium from the dual perspectives of statistical mechanics and hydrodynamics. Atkins looks at both Helium Three and Helium Four, as well as the properties of a combination of the two isotopes. This book will be of value to anyone with an interest in the history of science and the study of one of the universe's most fundamental elements.

  14. Effects of autoionization in electron loss from helium-like highly charged ions in collisions with photons and fast atomic particles

    CERN Document Server

    Lyashchenko, K N; Voitkiv, A B

    2016-01-01

    We study theoretically single electron loss from helium-like highly charged ions involving excitation and decay of autoionizing states of the ion. Electron loss is caused by either photo absorption or the interaction with a fast atomic particle (a bare nucleus, a neutral atom, an electron). The interactions with the photon field and the fast particles are taken into account in the first order of perturbation theory. Two initial states of the ion are considered: $1s^2$ and $(1s2s)_{J=0}$. We analyze in detail how the shape of the emission pattern depends on the atomic number $Z_{I}$ of the ion discussing, in particular, the inter-relation between electron loss via photo absorption and due to the impact of atomic particles in collisions at modest relativistic and extreme relativistic energies. According to our results, in electron loss from the $1s^2$ state autoionization may substantially influence the shape of the emission spectra only up to $Z_{I} \\approx 35-40$. A much more prominent role is played by autoi...

  15. Fractional dynamics of charged particles in magnetic fields

    Science.gov (United States)

    Coronel-Escamilla, A.; Gómez-Aguilar, J. F.; Alvarado-Méndez, E.; Guerrero-Ramírez, G. V.; Escobar-Jiménez, R. F.

    2016-02-01

    In many physical applications the electrons play a relevant role. For example, when a beam of electrons accelerated to relativistic velocities is used as an active medium to generate Free Electron Lasers (FEL), the electrons are bound to atoms, but move freely in a magnetic field. The relaxation time, longitudinal effects and transverse variations of the optical field are parameters that play an important role in the efficiency of this laser. The electron dynamics in a magnetic field is a means of radiation source for coupling to the electric field. The transverse motion of the electrons leads to either gain or loss energy from or to the field, depending on the position of the particle regarding the phase of the external radiation field. Due to the importance to know with great certainty the displacement of charged particles in a magnetic field, in this work we study the fractional dynamics of charged particles in magnetic fields. Newton’s second law is considered and the order of the fractional differential equation is (0;1]. Based on the Grünwald-Letnikov (GL) definition, the discretization of fractional differential equations is reported to get numerical simulations. Comparison between the numerical solutions obtained on Euler’s numerical method for the classical case and the GL definition in the fractional approach proves the good performance of the numerical scheme applied. Three application examples are shown: constant magnetic field, ramp magnetic field and harmonic magnetic field. In the first example the results obtained show bistability. Dissipative effects are observed in the system and the standard dynamic is recovered when the order of the fractional derivative is 1.

  16. Path integral molecular dynamics combined with discrete-variable-representation approach: the effect of solvation structures on vibrational spectra of Cl 2 in helium clusters

    Science.gov (United States)

    Takayanagi, Toshiyuki; Shiga, Motoyuki

    2002-08-01

    The structures and vibrational frequencies of Cl 2-helium clusters have been studied using the path integral molecular dynamics method combined with the discrete-variable-representation approach. It is found that the Cl 2-helium clusters form clear shell structures comprised of rings around the Cl 2 bond. The vibrational frequencies calculated show a monotonically increasing red shift with an increase in cluster size. It can be concluded that the first solvation shell and its density around T-shaped configurations play the most important role in the observed frequency shifts.

  17. Origin of the counterintuitive dynamic charge in the transition metal dichalcogenides

    Science.gov (United States)

    Pike, Nicholas A.; Van Troeye, Benoit; Dewandre, Antoine; Petretto, Guido; Gonze, Xavier; Rignanese, Gian-Marco; Verstraete, Matthieu J.

    2017-05-01

    Despite numerous studies of transition metal dichalcogenides, the diversity of their chemical bonding characteristics and charge transfer is not well understood. Based on density functional theory we investigate their static and dynamic charges. The dynamic charge of the transition metal dichalcogenides with trigonal symmetry are anomalously large, while in their hexagonally symmetric counterparts, we even observe a counterintuitive sign, i.e., the transition metal takes a negative charge, opposite to its static charge. This phenomenon, so far never remarked on or analyzed, is understood by investigating the perturbative response of the system and by investigating the hybridization of the molecular orbitals near the Fermi level. Furthermore, a link is established between the sign of the Born effective charge and the process of π backbonding from organic chemistry. Experiments are proposed to verify the calculated sign of the dynamical charge in these materials. Employing a high-throughput search we also identify other materials that present counterintuitive dynamic charges.

  18. Dynamics of a liquid helium I SRF cryostat at the Canadian Light Source

    Science.gov (United States)

    Regier, Chris

    2012-06-01

    The Canadian Light Source (CLS) is a third-generation synchrotron located inSaskatoon, Canada. A superconducting radio frequency (SRF) cavity contained in a 4.43 Kliquid helium I cryostat is used at the CLS to replenish energy loss in the electron beam. Adynamic simulation of this cryostat has been generated to examine pressure and levelfluctuations due to variations in heat loading or other system parameters. This simulatorhas led to some interesting observations in system behavior, which have been shown tooccur in the actual system as well. For example, mass rates of vaporization appear to dropas heat loading increases under certain conditions. Also, the relationship between pressureand SRF tuning characteristics is examined, and the abilities and limitations of thesimulator are presented.

  19. Helium metastable dynamics in sheath or bulk dominated rf micro-plasma jets

    CERN Document Server

    Niermann, B; Wollny, A; Böke, M; Brinkmann, R P; Mussenbrock, T; Winter, J

    2011-01-01

    Space resolved concentrations of helium He metastable atoms in an atmospheric pressure radio-frequency micro-plasma jet were measured using tunable diode laser absorption spectroscopy. The spatial profile of metastable atoms in the volume between the electrodes was deduced for various electrode gap distances. Density profiles reveal the sheath structure and reflect the plasma excitation distribution, as well as the dominance of the alpha-mode discharge. Gap width variations show the transition from a normal glow plasma to a pure sheath discharge. In order to analyze and verify the experimentally observed profiles of the metastable atoms a 2-dimensional simulation model was set up. Applying an appropriate He/N2/O2 chemistry model the correlation between the metastable profiles and the underlying excitation mechanisms was obtained.

  20. Helium cryogenics

    CERN Document Server

    Van Sciver, Steven W

    2012-01-01

    Twenty five years have elapsed since the original publication of Helium Cryogenics. During this time, a considerable amount of research and development involving helium fluids has been carried out culminating in several large-scale projects. Furthermore, the field has matured through these efforts so that there is now a broad engineering base to assist the development of future projects. Helium Cryogenics, 2nd edition brings these advances in helium cryogenics together in an updated form. As in the original edition, the author's approach is to survey the field of cryogenics with emphasis on helium fluids. This approach is more specialized and fundamental than that contained in other cryogenics books, which treat the associated range of cryogenic fluids. As a result, the level of treatment is more advanced and assumes a certain knowledge of fundamental engineering and physics principles, including some quantum mechanics. The goal throughout the work is to bridge the gap between the physics and engineering aspe...

  1. Dynamically controlled charge sensing of a few-electron silicon quantum dot

    Directory of Open Access Journals (Sweden)

    C. H. Yang

    2011-12-01

    Full Text Available We report charge sensing measurements of a silicon metal-oxide-semiconductor quantum dot using a single-electron transistor as a charge sensor with dynamic feedback control. Using digitally-controlled feedback, the sensor exhibits sensitive and robust detection of the charge state of the quantum dot, even in the presence of charge drifts and random charge upset events. The sensor enables the occupancy of the quantum dot to be probed down to the single electron level.

  2. Moderately nonlinear diffuse-charge dynamics under an ac voltage

    Science.gov (United States)

    Stout, Robert F.; Khair, Aditya S.

    2015-09-01

    The response of a symmetric binary electrolyte between two parallel, blocking electrodes to a moderate amplitude ac voltage is quantified. The diffuse charge dynamics are modeled via the Poisson-Nernst-Planck equations for a dilute solution of point-like ions. The solution to these equations is expressed as a Fourier series with a voltage perturbation expansion for arbitrary Debye layer thickness and ac frequency. Here, the perturbation expansion in voltage proceeds in powers of Vo/(kBT /e ) , where Vo is the amplitude of the driving voltage and kBT /e is the thermal voltage with kB as Boltzmann's constant, T as the temperature, and e as the fundamental charge. We show that the response of the electrolyte remains essentially linear in voltage amplitude at frequencies greater than the RC frequency of Debye layer charging, D /λDL , where D is the ion diffusivity, λD is the Debye layer thickness, and L is half the cell width. In contrast, nonlinear response is predicted at frequencies below the RC frequency. We find that the ion densities exhibit symmetric deviations from the (uniform) equilibrium density at even orders of the voltage amplitude. This leads to the voltage dependence of the current in the external circuit arising from the odd orders of voltage. For instance, the first nonlinear contribution to the current is O (Vo3) which contains the expected third harmonic but also a component oscillating at the applied frequency. We use this to compute a generalized impedance for moderate voltages, the first nonlinear contribution to which is quadratic in Vo. This contribution predicts a decrease in the imaginary part of the impedance at low frequency, which is due to the increase in Debye layer capacitance with increasing Vo. In contrast, the real part of the impedance increases at low frequency, due to adsorption of neutral salt from the bulk to the Debye layer.

  3. Modeling of mesoscopic electrokinetic phenomena using charged dissipative particle dynamics

    Science.gov (United States)

    Deng, Mingge; Li, Zhen; Karniadakis, George

    2015-11-01

    In this work, we propose a charged dissipative particle dynamics (cDPD) model for investigation of mesoscopic electrokinetic phenomena. In particular, this particle-based method was designed to simulate micro- or nano- flows which governing by Poisson-Nernst-Planck (PNP) equation coupled with Navier-Stokes (NS) equation. For cDPD simulations of wall-bounded fluid systems, a methodology for imposing correct Dirichlet and Neumann boundary conditions for both PNP and NS equations is developed. To validate the present cDPD model and the corresponding boundary method, we perform cDPD simulations of electrostatic double layer (EDL) in the vicinity of a charged wall, and the results show good agreement with the mean-field theoretical solutions. The capacity density of a parallel plate capacitor in salt solution is also investigated with different salt concentration. Moreover, we utilize the proposed methodology to study the electroosmotic and electroosmotic/pressure-driven flow in a micro-channel. In the last, we simulate the dilute polyelectrolyte solution both in bulk and micro-channel, which show the flexibility and capability of this method in studying complex fluids. This work was sponsored by the Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4) supported by DOE.

  4. The causal structure of dynamical charged black holes

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Sungwook E; Hwang, Dong-il; Stewart, Ewan D; Yeom, Dong-han, E-mail: eostm@muon.kaist.ac.k, E-mail: enotsae@gmail.co, E-mail: innocent@muon.kaist.ac.k [Department of Physics, KAIST, Daejeon 305-701 (Korea, Republic of)

    2010-02-21

    We study the causal structure of dynamical charged black holes, with a sufficient number of massless fields, using numerical simulations. Neglecting Hawking radiation, the inner horizon is a null Cauchy horizon and a curvature singularity due to mass inflation. When we include Hawking radiation, the inner horizon becomes space-like and is separated from the Cauchy horizon, which is parallel to the out-going null direction. Since a charged black hole must eventually transit to a neutral black hole, we studied the neutralization of the black hole and observed that the inner horizon evolves into a space-like singularity, generating a Cauchy horizon which is parallel to the in-going null direction. Since the mass function is finite around the inner horizon, the inner horizon is regular and penetrable in a general relativistic sense. However, since the curvature functions become trans-Planckian, we cannot say more about the region beyond the inner horizon, and it is natural to say that there is a 'physical' space-like singularity. However, if we assume an exponentially large number of massless scalar fields, our results can be extended beyond the inner horizon. In this case, strong cosmic censorship and black hole complementarity can be violated.

  5. Mixed quantum-classical dynamics for charge transport in organics.

    Science.gov (United States)

    Wang, Linjun; Prezhdo, Oleg V; Beljonne, David

    2015-05-21

    Charge transport plays a crucial role in the working principle of most opto-electronic and energy devices. This is especially true for organic materials where the first theoretical models date back to the 1950s and have continuously evolved ever since. Most of these descriptions rely on perturbation theory to treat small interactions in the Hamiltonian. In particular, applying a perturbative treatment to the electron-phonon and electron-electron coupling results in the band and hopping models, respectively, the signature of which is conveyed by a characteristic temperature dependence of mobility. This perspective describes recent progress of studying charge transport in organics using mixed quantum-classical dynamics techniques, including mean field and surface hopping theories. The studies go beyond the perturbation treatments and represent the processes explicitly in the time-domain, as they occur in real life. The challenges, advantages, and disadvantages of both approaches are systematically discussed. Special focus is dedicated to the temperature dependence of mobility, the role of local and nonlocal electron-phonon couplings, as well as the interplay between electronic and electron-phonon interactions.

  6. Molecular Dynamics Simulations of Nanoparticles Coated with Charged Polymers

    Science.gov (United States)

    Wen, Chengyuan; Cheng, Shengfeng

    Polymer coating is frequently used to stabilize colloidal and nano-sized particles. We employ molecular dynamics simulations to study nanoparticles coated with polymer chains that contain ionizable groups. In a polar solvent, the chains become charged with counterions dissociated. In the computational model, we treat the solvent as a uniform dielectric background and use the bead-spring model for the polymer chains. Counterions are explicitly included as mobile beads. The nanoparticle is modeled as a layer of sites uniformly distributed on a spherical surface with a certain fraction of sites serving as the tether points of the grafted polymer brush. We vary the grafting density and calculate the distribution of polymer beads and counterions around the nanoparticle. Our results indicate that charged chains adopt extended conformations because of their mutual repulsions. We further study the interactions between two polymer-coated nanoparticles and obtain the potential of mean force. We also find an interesting transition of a confined single layer of such polymer-coated nanoparticles into two layers when the confinement is removed. Results show that the brush-brush contact has a nonuniform distribution and the nanoparticles tend to form dipole-like structures.

  7. Optimal Charging of Electric Drive Vehicles: A Dynamic Programming Approach

    DEFF Research Database (Denmark)

    Delikaraoglou, Stefanos; Capion, Karsten Emil; Juul, Nina

    2013-01-01

    of electric vehicles in a market environment. From the perspective of vehicle operators participating in the electricity spot market, the problem is to optimally charge and discharge the vehicles in response to spot market prices. We consider the case of a vehicle owner who is a price......With the integration of fluctuating renewable production into the electricity system, electric-drive vehicles may contribute to the resulting need for flexibility, given that the market conditions provide sufficient economic incentive. To investigate this, we consider the short-term management......-taker and that of a fleet operator who can influence prices. In both cases, we show how the problem is amenable to dynamic programming with respectively linear and quadratic costs. With discretization of the state space, however, the problem of fleet operation is prone to suffer from the curse of dimensionality and...

  8. Lorentz Covariant Canonical Symplectic Algorithms for Dynamics of Charged Particles

    CERN Document Server

    Wang, Yulei; Qin, Hong

    2016-01-01

    In this paper, the Lorentz covariance of algorithms is introduced. Under Lorentz transformation, both the form and performance of a Lorentz covariant algorithm are invariant. To acquire the advantages of symplectic algorithms and Lorentz covariance, a general procedure for constructing Lorentz covariant canonical symplectic algorithms (LCCSA) is provided, based on which an explicit LCCSA for dynamics of relativistic charged particles is built. LCCSA possesses Lorentz invariance as well as long-term numerical accuracy and stability, due to the preservation of discrete symplectic structure and Lorentz symmetry of the system. For situations with time-dependent electromagnetic fields, which is difficult to handle in traditional construction procedures of symplectic algorithms, LCCSA provides a perfect explicit canonical symplectic solution by implementing the discretization in 4-spacetime. We also show that LCCSA has built-in energy-based adaptive time steps, which can optimize the computation performance when th...

  9. Nonequilibrium charge susceptibility and dynamical conductance: identification of scattering processes in quantum transport.

    Science.gov (United States)

    Ness, H; Dash, L K

    2012-03-23

    We calculate the nonequilibrium charge transport properties of nanoscale junctions in the steady state and extend the concept of charge susceptibility to the nonequilibrium conditions. We show that the nonequilibrium charge susceptibility is related to the nonlinear dynamical conductance. In spectroscopic terms, both contain the same features versus applied bias when charge fluctuation occurs in the corresponding electronic resonances. However, we show that, while the conductance exhibits features at biases corresponding to inelastic scattering with no charge fluctuations, the nonequilibrium charge susceptibility does not. We suggest that measuring both the nonequilibrium conductance and charge susceptibility in the same experiment will permit us to differentiate between different scattering processes in quantum transport.

  10. Helium release during shale deformation: Experimental validation

    Science.gov (United States)

    Bauer, Stephen J.; Gardner, W. Payton; Heath, Jason E.

    2016-07-01

    This work describes initial experimental results of helium tracer release monitoring during deformation of shale. Naturally occurring radiogenic 4He is present in high concentration in most shales. During rock deformation, accumulated helium could be released as fractures are created and new transport pathways are created. We present the results of an experimental study in which confined reservoir shale samples, cored parallel and perpendicular to bedding, which were initially saturated with helium to simulate reservoir conditions, are subjected to triaxial compressive deformation. During the deformation experiment, differential stress, axial, and radial strains are systematically tracked. Release of helium is dynamically measured using a helium mass spectrometer leak detector. Helium released during deformation is observable at the laboratory scale and the release is tightly coupled to the shale deformation. These first measurements of dynamic helium release from rocks undergoing deformation show that helium provides information on the evolution of microstructure as a function of changes in stress and strain.

  11. Antiprotonic helium

    CERN Multimedia

    Eades, John

    2005-01-01

    An exotic atom in w hich an electron and an antiproton orbit a helium nucleus could reveal if there are any differences between matter and antimatter. The author describes this unusual mirror on the antiworld (5 pages)

  12. Charge dynamics of the antiferromagnetically ordered Mott insulator

    Science.gov (United States)

    Han, Xing-Jie; Liu, Yu; Liu, Zhi-Yuan; Li, Xin; Chen, Jing; Liao, Hai-Jun; Xie, Zhi-Yuan; Normand, B.; Xiang, Tao

    2016-10-01

    We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon-doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Néel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon-doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott-Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of the

  13. Beyond Millikan: The Dynamics of Charging Events on Individual Colloidal Particles

    Science.gov (United States)

    Beunis, Filip; Strubbe, Filip; Neyts, Kristiaan; Petrov, Dmitri

    2012-01-01

    By measuring the stable charge on oil drops in air, Millikan demonstrated the discrete nature of electric charge. We extend his approach to the charge on solid-liquid interfaces, and focus on the dynamics of the discrete fluctuations. Our measurements are accurate and fast enough to observe changes of one elementary charge. Experiments over thousands of seconds yield information about the fast dynamics of electrochemical reactions, relevant for physicochemical and biological systems. As an example, we study (dis)charging processes on colloidal particles in a nonpolar liquid.

  14. Field Driven Charging Dynamics of a Fluidized Granular Bed

    CERN Document Server

    Yoshimatsu, R; Shinbrot, T; Herrmann, H J

    2016-01-01

    A simplified model has previously described the inductive charging of colliding identical grains in the presence of an external electric field. Here we extend that model by including heterogeneous surface charge distributions, grain rotations and electrostatic interactions between grains. We find from this more realistic model that strong heterogeneities in charging can occur in agitated granular beds, and we predict that shielding due to these heterogeneities can dramatically alter the charging rate in such beds.

  15. Cost-Effectiveness Comparison of Coupler Designs of Wireless Power Transfer for Electric Vehicle Dynamic Charging

    Directory of Open Access Journals (Sweden)

    Weitong Chen

    2016-11-01

    Full Text Available This paper presents a cost-effectiveness comparison of coupler designs for wireless power transfer (WPT, meant for electric vehicle (EV dynamic charging. The design comparison of three common types of couplers is first based on the raw material cost, output power, transfer efficiency, tolerance of horizontal offset, and flux density. Then, the optimal cost-effectiveness combination is selected for EV dynamic charging. The corresponding performances of the proposed charging system are compared and analyzed by both simulation and experimentation. The results verify the validity of the proposed dynamic charging system for EVs.

  16. Charge to digital converter with constant resolution over the dynamic range

    Energy Technology Data Exchange (ETDEWEB)

    Nascetti, A. [Department of Aerospace and Astronautics Engineering, Sapienza University of Rome, via Eudossiana 16, 00184, Rome (Italy)

    2009-12-15

    A novel pixel-level charge to digital converter circuit suitable for multi-channel charge sensitive amplifiers or pixelated readout ICs for hybrid detectors is presented. The proposed circuit features large dynamic range operation with constant relative resolution over the whole dynamic range. These characteristics have been obtained by introducing the fractional charge packet counting concept. In particular, a solution has been proposed to obtain the analog-to-digital conversion with constant number of significant bits.

  17. Effect of grain size on the behavior of hydrogen/helium retention in tungsten: a cluster dynamics modeling

    Science.gov (United States)

    Zhao, Zhe; Li, Yonggang; Zhang, Chuanguo; Pan, Guyue; Tang, Panfei; Zeng, Zhi

    2017-08-01

    Reducing ion retention in materials is a key factor in the management of tritium inventory, the selection of compatible plasma-facing materials (PFMs), and thus the future development of fusion reactors. In this work, by introducing the cellular sink strength of grain boundaries (GBs) into the cluster dynamics model, the behavior of hydrogen (H) and helium (He) retention in W with different grain sizes is studied under various irradiation conditions systematically. It is found that the H/He retention increases dramatically with decreasing grain size at typical service temperatures, due to the enhancement of H/He capture ratio by GBs. Generally, He retention exists in three forms: He in GBs, in dislocations and in clusters (He m V n , He n and He n I). Our further study shows that, under the irradiation of low energy and low fluence ions, the contribution of He in clusters is negligible. The total He retention is thus dominated by the competing absorption of GBs and dislocations, that is, changing from the dislocation-based to grain boundary-based retention with decreasing grain size. H retention also presents the same behavior. In view of these grain size-related behaviors of H/He retention in W, it is suggested that coarse-grained crystals should be selected for W-based PFMs in practice.

  18. Dynamic characteristics of helium adsorbents. Influence of the heat removal conditions

    Science.gov (United States)

    Shcherbachenko, R. I.; Grigor'ev, V. N.

    2008-06-01

    The static and dynamic characteristics of the adsorbent SKN-1K at 4.2K are investigated under conditions corresponding to the working conditions of adsorption pumps in dilution refrigerators. It is shown that gluing this adsorbent to the cooled surface leads to a substantial lowering of the pressure in the pump in the dynamic regime. On the basis of experimental data for the glued and free adsorbent an estimate is made of the hydrodynamic contribution to the pressure due to the resistance of the pores of the adsorbent. This estimate falls within the error of measurement.

  19. Topics in the Dynamics of Charge-Density

    Science.gov (United States)

    Ramakrishna, Sathyanarayan (Satish).

    This dissertation is an investigation into some interesting transport properties of charge-density-waves (CDWs). The field of CDW dynamics is an arena for the battle between mathematical analysis and random disorder. It is a very difficult physical situation to analyze. The theoretical study of CDW dynamics dates to the prescient suggestion of John Bardeen (in the 70s) that the nonlinear I-V characteristic of the quasi one-dimensional material TTF-TCNQ was a consequence of collective transport of condensate resulting from a Peierls instability. This instability, described first by Peierls, is studied in Chapter 1. Once the underlying physics of the instability was understood, the effects of coupling the CDW to impurities and to electric and magnetic fields were studied. The most striking effect of impurities is to produce CDW pinning, so that collective-mode transport ceases to occur if the applied electric field is smaller than a threshold field. Intensive research led to the Fukuyama-Lee-Rice model of CDW pinning. Experiments in the field are complicated by the difficulty in preparing well characterized samples of the relevant materials, among which are the trichalco-genides NbSe_3, TaS_3, the dichalcogenides (TaSe_4)_2I, TaS_2, NbSe_2 and blue bronze K_{0.3}MoO _3. Over the last decade, growth techniques have been perfected and intensive comparison between the various theoretical models and experiment is feasible. An outline of the dissertation is as follows. First, we review the theoretical ideas that underlie the subject. Then we discuss each new piece of work separately. First, this thesis presents one important theoretical approach to the study of CDW dynamics. The approach builds upon previous work on the microscopic theory of superconductors and results in a new formulation of the problem that seems likely to lend itself to non-perturbative approaches. The perturbative approach cannot provide answers to the question of what happens near the depinning

  20. Observation of dynamic atom-atom correlation in liquid helium in real space.

    Science.gov (United States)

    Dmowski, W; Diallo, S O; Lokshin, K; Ehlers, G; Ferré, G; Boronat, J; Egami, T

    2017-05-04

    Liquid (4)He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that (4)He atoms in the Bose-Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDF peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom-atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.

  1. Dynamic space charge behaviour in polymeric DC cables

    DEFF Research Database (Denmark)

    Rasmussen, Claus Nygaard; Holbøll, Joachim; Henriksen, Mogens

    2002-01-01

    The use of extruded insulation for DC cables involves a risk of local electric field enhancement, caused by a space charge build-up within the dielectric. In this work, the theory of charge generation and transport in polymers is applied in a numerical computer model in order to predict the forma......The use of extruded insulation for DC cables involves a risk of local electric field enhancement, caused by a space charge build-up within the dielectric. In this work, the theory of charge generation and transport in polymers is applied in a numerical computer model in order to predict...

  2. Transport coefficients of normal liquid helium-4 calculated by path integral centroid molecular dynamics simulation

    Science.gov (United States)

    Imaoka, Haruna; Kinugawa, Kenichi

    2017-03-01

    Thermal conductivity, shear viscosity, and bulk viscosity of normal liquid 4He at 1.7-4.0 K are calculated using path integral centroid molecular dynamics (CMD) simulations. The calculated thermal conductivity and shear viscosity above lambda transition temperature are on the same order of magnitude as experimental values, while the agreement of shear viscosity is better. Above 2.3 K the CMD well reproduces the temperature dependences of isochoric shear viscosity and of the time integral of the energy current and off-diagonal stress tensor correlation functions. The calculated bulk viscosity, not known in experiments, is several times larger than shear viscosity.

  3. A new battery-charging method suggested by molecular dynamics simulations

    CERN Document Server

    Hamad, Ibrahim Abou; Wipf, D; Rikvold, P A; 10.1039/b920970k

    2010-01-01

    Based on large-scale molecular dynamics simulations, we propose a new charging method that should be capable of charging a Lithium-ion battery in a fraction of the time needed when using traditional methods. This charging method uses an additional applied oscillatory electric field. Our simulation results show that this charging method offers a great reduction in the average intercalation time for Li+ ions, which dominates the charging time. The oscillating field not only increases the diffusion rate of Li+ ions in the electrolyte but, more importantly, also enhances intercalation by lowering the corresponding overall energy barrier.

  4. Charge-dependent conformations and dynamics of pamam dendrimers revealed by neutron scattering and molecular dynamics

    Science.gov (United States)

    Wu, Bin

    Neutron scattering and fully atomistic molecular dynamics (MD) are employed to investigate the structural and dynamical properties of polyamidoamine (PAMAM) dendrimers with ethylenediamine (EDA) core under various charge conditions. Regarding to the conformational characteristics, we focus on scrutinizing density profile evolution of PAMAM dendrimers as the molecular charge of dendrimer increases from neutral state to highly charged condition. It should be noted that within the context of small angle neutron scattering (SANS), the dendrimers are composed of hydrocarbon component (dry part) and the penetrating water molecules. Though there have been SANS experiments that studied the charge-dependent structural change of PAMAM dendrimers, their results were limited to the collective behavior of the aforementioned two parts. This study is devoted to deepen the understanding towards the structural responsiveness of intra-molecular polymeric and hydration parts separately through advanced contrast variation SANS data analysis scheme available recently and unravel the governing principles through coupling with MD simulations. Two kinds of acids, namely hydrochloric and sulfuric acids, are utilized to tune the pH condition and hence the molecular charge. As far as the dynamical properties, we target at understanding the underlying mechanism that leads to segmental dynamic enhancement observed from quasielstic neutron scattering (QENS) experiment previously. PAMAM dendrimers have a wealth of potential applications, such as drug delivery agency, energy harvesting medium, and light emitting diodes. More importantly, it is regarded as an ideal system to test many theoretical predictions since dendrimers conjugate both colloid-like globular shape and polymer-like flexible chains. This Ph.D. research addresses two main challenges in studying PAMAM dendrimers. Even though neutron scattering is an ideal tool to study this PAMAM dendrimer solution due to its matching temporal and

  5. Charged Q-balls and boson stars and dynamics of charged test particles

    CERN Document Server

    Brihaye, Yves; Hartmann, Betti

    2014-01-01

    We construct electrically charged Q-balls and boson stars in a model with a scalar self-interaction potential resulting from gauge mediated supersymmetry breaking. We discuss the properties of these solutions in detail and emphasize the differences to the uncharged case. We observe that $Q$-balls can only be constructed up to a maximal value of the charge of the scalar field, while for boson stars the interplay between the attractive gravitational force and the repulsive electromagnetic force determines their behaviour. We also study the motion of charged, massive test particles in the space-time of boson stars. We find that in contrast to charged black holes the motion of charged test particles in charged boson star space-times is planar, but that the presence of the scalar field plays a crucial r\\^ole for the qualitative features of the trajectories. Applications of this test particle motion can be made in the study of extreme-mass ratio inspirals (EMRIs) as well as astrophysical plasmas relevant e.g. in th...

  6. Role of electron-nuclear coupled dynamics on charge migration induced by attosecond pulses in glycine

    Science.gov (United States)

    Lara-Astiaso, Manuel; Palacios, Alicia; Decleva, Piero; Tavernelli, Ivano; Martín, Fernando

    2017-09-01

    We present a theoretical study of charge dynamics initiated by an attosecond XUV pulse in the glycine molecule, which consists in delocalized charge fluctuations all over the molecular skeleton. For this, we have explicitly used the actual electron wave packet created by such a broadband pulse. We show that, for the chosen pulse, charge dynamics in glycine is barely affected by nuclear motion or non adiabatic effects during the first 8 fs, and that the initial electronic coherences do not dissipate during the first 20 fs. In contrast, small variations in the initial nuclear positions, compatible with the geometries expected in the Franck-Condon region, lead to noticeable changes in this dynamics.

  7. Diffusion behavior of helium in titanium and the effect of grain boundaries revealed by molecular dynamics simulation

    Science.gov (United States)

    Gui-Jun, Cheng; Bao-Qin, Fu; Qing, Hou; Xiao-Song, Zhou; Jun, Wang

    2016-07-01

    The microstructures of titanium (Ti), an attractive tritium (T) storage material, will affect the evolution process of the retained helium (He). Understanding the diffusion behavior of He at the atomic scale is crucial for the mechanism of material degradation. The novel diffusion behavior of He has been reported by molecular dynamics (MD) simulation for the bulk hcp-Ti system and the system with grain boundary (GB). It is observed that the diffusion of He in the bulk hcp-Ti is significantly anisotropic (the diffusion coefficient of the [0001] direction is higher than that of the basal plane), as represented by the different migration energies. Different from convention, the GB accelerates the diffusion of He in one direction but not in the other. It is observed that a twin boundary (TB) can serve as an effective trapped region for He. The TB accelerates diffusion of He in the direction perpendicular to the twinning direction (TD), while it decelerates the diffusion in the TD. This finding is attributable to the change of diffusion path caused by the distortion of the local favorable site for He and the change of its number in the TB region. Project supported by the National Natural Science Foundation of China (Grant No. 51501119), the Scientific Research Starting Foundation for Younger Teachers of Sichuan University, China (Grant No. 2015SCU11058), the National Magnetic Confinement Fusion Science Program of China (Grant No. 2013GB109002), and the Cooperative Research Project “Research of Diffusion Behaviour of He in Grain Boundary of HCP-Titanium”, China.

  8. Investigations of surface structural, dynamical, and magnetic properties of systems exhibiting multiferroicity, and topological phases by helium scattering spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    El-Batanouny, Maged

    2015-08-03

    We propose to investigate the surface structural, dynamics and magnetic properties of the novel class of topological insulator crystals, as well as crystals that exhibit multiferroicity, magnetoelectricity and thermoelectricity. Topological insulators (TIs) are a new class of insulators in which a bulk gap for electronic excitations is generated because of the strong spin-orbit coupling inherent to these systems. These materials are distinguished from ordinary insulators by the presence of gapless metallic surface states, resembling chiral edge modes in quantum Hall systems, but with unconventional spin textures. These exotic metallic states are formed by topological conditions that also render the electrons travelling on such surfaces insensitive to scattering by impurities. The electronic quasi-particles populating the topological surface state are Dirac fermions; they have a linear dispersion and thus are massless just like photons. We propose to investigate the interaction of these massless Dirac fermions with the massive lattice in the newly discovered crystals, Bi2Se3, Bi2Te3 and Sb2Te3. We shall use inelastic helium beam scattering from surfaces to search for related signatures in surface phonon dispersions mappings that cover the entire surface Brillouin zone of these materials. Our recent investigations of the (001) surface of the multiferroic crystals (Li/Na)Cu2O2 revealed an anomalous surface structural behavior where surface Cu$^{2+}$ row rise above the surface plane as the crystal was cooled. Subsequent worming revealed the onset of a thermally activated incommensurate surface phase, driven by the elevated rows. We are currently investigating the structure of the magnetic phases in these quasi-one-dimensional magnetic rows. Multiferroics are excellent candidates for large magnetoelectric response. We propose to extend this investigation to the class of delafossites which are also multiferroics and have been investigated as good candidates for

  9. Dynamic outgassing of deuterium, helium and nitrogen from plasma-facing materials under DEMO relevant conditions

    Science.gov (United States)

    Möller, S.; Matveev, D.; Martynova, Y.; Unterberg, B.; Rasinski, M.; Wegener, T.; Kreter, A.; Linsmeier, Ch.

    2017-01-01

    In confined plasma magnetic fusion devices significant amounts of the hydrogen isotopes used for the fusion reaction can be stored in the plasma-facing materials by implantation. The desorption of this retained hydrogen was seen to follow a t α law with α  ≈  -0.7 in tokamaks. For a pulsed fusion reactor this outgassing can define the inter-pulse waiting time. This work presents new experimental data on the dynamic outgassing in ITER grade tungsten exposed under the well-defined conditions of PSI-2 to pure and mixed D2 plasmas. A peak ion flux of 1022 D+ m-2 s is applied for up to 6 h at sample temperatures of up to 900 K. Pure D2 and mixed D2  +  He, D2  +  N2 and D2  +  He  +  N2 plasmas are applied to the sample at 68 V bias. The D2, He, N outgassing at 293 K and 580 k are observed via in-vacuo quadrupole mass spectrometry covering the range of 40 s-200 000 s after exposure. The outgassing decay follows a single power law with exponents α  =  -0.7  to  -1.1 at 293 K, but at 580 K a drop from α  =  -0.25 to  -2.35 is found. For DEMO a pump-down time to 0.5 mPa in the order of 1-5 h can be expected. The outgassing is in all cases dominated by D2.

  10. Modelling the Effects of Parking Charge and Supply Policy Using System Dynamics Method

    National Research Council Canada - National Science Library

    Zhenyu Mei; Qifeng Lou; Wei Zhang; Lihui Zhang; Fei Shi

    2017-01-01

    .... This paper develops an evaluation model for parking policies using system dynamics. A quantitative study is conducted to examine the effects of parking charge and supply policy on traffic speed...

  11. Charge Transfer Dynamics from Photoexcited Semiconductor Quantum Dots

    Science.gov (United States)

    Zhu, Haiming; Yang, Ye; Wu, Kaifeng; Lian, Tianquan

    2016-05-01

    Understanding photoinduced charge transfer from nanomaterials is essential to the many applications of these materials. This review summarizes recent progress in understanding charge transfer from quantum dots (QDs), an ideal model system for investigating fundamental charge transfer properties of low-dimensional quantum-confined nanomaterials. We first discuss charge transfer from QDs to weakly coupled acceptors within the framework of Marcus nonadiabatic electron transfer (ET) theory, focusing on the dependence of ET rates on reorganization energy, electronic coupling, and driving force. Because of the strong electron-hole interaction, we show that ET from QDs should be described by the Auger-assisted ET model, which is significantly different from ET between molecules or from bulk semiconductor electrodes. For strongly quantum-confined QDs on semiconductor surfaces, the coupling can fall within the strong coupling limit, in which case the donor-acceptor interaction and ET properties can be described by the Newns-Anderson model of chemisorption. We also briefly discuss recent progress in controlling charge transfer properties in quantum-confined nanoheterostructures through wavefunction engineering and multiple exciton dissociation. Finally, we identify a few key areas for further research.

  12. Mobile charge generation dynamics in P3HT: PCBM observed by time-resolved terahertz spectroscopy

    DEFF Research Database (Denmark)

    Cooke, D. G.; Krebs, Frederik C; Jepsen, Peter Uhd

    2012-01-01

    Ultra-broadband time-resolved terahertz spectroscopy is used to examine the sub-ps conductivity dynamics of a conjugated polymer bulk heterojunction film P3HT:PCBM. We directly observe mobile charge generation dynamics on a sub-100 fs time scale.......Ultra-broadband time-resolved terahertz spectroscopy is used to examine the sub-ps conductivity dynamics of a conjugated polymer bulk heterojunction film P3HT:PCBM. We directly observe mobile charge generation dynamics on a sub-100 fs time scale....

  13. Dynamics of Charge Transfer in Ordered and Chaotic Nucleotide Sequences

    CERN Document Server

    Fialko, N S

    2013-01-01

    Charge transfer is considered in systems composed of a donor, an acceptor and bridge sites of (AT) nucleotide pairs. For a bridge consisting of 180 (AT) pairs, three cases are dealt with: a uniform case, when all the nucleotides in each strand are identical; an ordered case, when nucleotides in each DNA strand are arranged in an orderly fashion; a chaotic case, when (AT) and (TA) pairs are arranged randomly. It is shown that in all the cases a charge transfer from a donor to an acceptor can take place. All other factors being equal, the transfer is the most efficient in the uniform case, the ordered and chaotic cases are less and the least efficient, accordingly. The results obtained are in agreement with experimental data on long-range charge transfer in DNA.

  14. Multiple charge beam dynamics in alternate phase focusing structure

    Directory of Open Access Journals (Sweden)

    S. Dechoudhury

    2014-07-01

    Full Text Available Asymmetrical alternate phase (A-APF focusing realized in a sequence of 36 superconducting quarter wave resonators (QWRs has been shown to accelerate almost 81% of input uranium beam before foil stripper to an energy of 6.2  MeV/u from 1.3  MeV/u. Ten charge states from 34+ to 43+ could be simultaneously accelerated with the phase of resonators tuned for 34+. The A-APF structure showed the unique nature of a large potential bucket for charge states higher than that of the tuned one. Steering inherent to QWRs can be mitigated by selecting appropriate phase variation of the APF periods and optimization of solenoid field strengths placed in each of the periods. This mitigation facilitates the multiple charge state acceleration scheme.

  15. Dynamics of Ion Beam Charge Neutralization by Ferroelectric Plasma Sources

    Science.gov (United States)

    Stepanov, Anton D.; Gilson, Erik P.; Grisham, Larry R.; Kaganovich, Igor D.; Davidson, Ronald C.; Ji, Qing; Persaud, Arun; Seidl, Peter A.; Schenkel, Thomas

    2016-10-01

    Ferroelectric Plasma Sources (FEPSs) can generate plasma that provides effective space-charge neutralization of intense high-perveance ion beams. Here we present experimental results on charge neutralization of a high-perveance 38 keV Ar+ beam by a FEPS plasma. By comparing the measured beam radius with the envelope model for space-charge expansion, it is shown that a charge neutralization fraction of 98% is attainable. The transverse electrostatic potential of the ion beam is reduced from 15 V before neutralization to 0.3 V, implying that the energy of the neutralizing electrons is below 0.3 eV. Near-complete charge neutralization is established 5 μs after the driving pulse is applied to the FEPS, and can last for 35 μs. It is argued that the duration of neutralization is much longer than a reasonable lifetime of the plasma produced in the sub- μs surface discharge. Measurements of current flow in the driving circuit of the FEPS suggest that plasma can be generated for tens of μs after the high voltage pulse is applied. This is confirmed by fast photography of the plasma in the 1-meter long FEPS on NDCX-II, where effective charge neutralization of the beam was achieved with the optimized FEPS timing. This work was supported by the Office of Science of the US Department of Energy under contracts DE-AC0209CH11466 (PPPL) and DE-AC0205CH11231 (LBNL).

  16. Molecular dynamics study on the phase transition of high density helium%高密度氦相变的分子动力学研究∗

    Institute of Scientific and Technical Information of China (English)

    张宝玲; 宋小勇; 侯氢; 汪俊

    2015-01-01

    The melting curve of helium has been calculated over the temperature range of 0—1000 K using molecular dynamics method. Comparisons of the calculated melting curve and the experimental data show that the consistence between the melting curve and the experimental data may reach 500 K. When the temperature is above 600 K, no reliable experimental data have been found for comparison. In addition, the pressures inside the helium bubbles of various sizes existing in metal titanium are calculated and have a comparison with the melting curve. Results show that, at low temperatures, the helium bubbles may be in solid state as the temperature decreases. When the temperature is above 300 K, no solid helium bubble may exist.%采用分子动力学方法结合对关联函数分析计算了0—1000 K范围内氦的固—液相变曲线,与实验数据的对比显示,在0—500 K之间与实验数据符合很好,500 K以上还没有相应的实验数据。另外,计算了钛金属中不同尺寸氦泡的压强,并与高密度氦的固—液相变曲线进行了对比。结果显示,在低温条件下,随着温度的降低,钛晶体中可能会出现固态氦泡;在300 K以上不会存在固态氦泡。

  17. Diagnostics of many-particle electronic states: non-stationary currents and residual charge dynamics

    Science.gov (United States)

    Maslova, N. S.; Mantsevich, V. N.; Arseyev, P. I.

    2017-01-01

    We propose the method for identifying many particle electronic states in the system of coupled quantum dots (impurities) with Coulomb correlations. We demonstrate that different electronic states can be distinguished by the complex analysis of localized charge dynamics and non-stationary characteristics. We show that localized charge time evolution strongly depends on the properties of initial state and analyze different time scales in charge kinetics for initially prepared singlet and triplet states. We reveal the conditions for existence of charge trapping effects governed by the selection rules for electron transitions between the states with different occupation numbers.

  18. Molecular Dynamics Simulation on Charge Transfer Relaxation between Myoglobin and Water

    Institute of Scientific and Technical Information of China (English)

    CHENG Wei; ZHANG Feng-Shou; ZHANG Bo-Yang; ZHOU Hong-Yu

    2007-01-01

    Dynamical processes of myoglobin after photon-excited charge transfer between Fe ion and surrounding water anion ale simulated by a molecular dynamics model.The roles of Coulomb interaction effect and water effect in the relaxation process are discussed.It is found that the relaxations before and after charge transfer are similar.Strong Coulomb interactions and less water mobility decrease Coulomb energy fluctuations.An extra transferred charge of Fe ion has impact on water packing with a distance up to 0.86nm.

  19. Electron dynamics at surfaces induced by highly charged ions

    NARCIS (Netherlands)

    Morgenstern, R

    1998-01-01

    Energy spectra of electrons resulting from hydrogen-like multiply charged N6+ and Q(7+) ions on various surfaces are presented and discussed. Por metal target surfaces thr formation and decay of hollow atoms during the approach towards the surface is rather well understood in terms of the classical

  20. Effective dynamics of an electrically charged string with a current

    Science.gov (United States)

    Kazinski, P. O.

    2005-08-01

    Equations of motion for an electrically charged string with a current in an external electromagnetic field with regard to the first correction due to the self-action are derived. It is shown that the reparametrization invariance of the free action of the string imposes constraints on the possible form of the current. The effective equations of motion are obtained for an absolutely elastic charged string in the form of a ring (circle). Equations for the external electromagnetic fields that admit stationary states of such a ring are revealed. Solutions to the effective equations of motion of an absolutely elastic charged ring in the absence of external fields as well as in an external uniform magnetic field are obtained. In the latter case, the frequency at which one can observe radiation emitted by the ring is evaluated. A model of an absolutely nonstretchable charged string with a current is proposed. The effective equations of motion are derived within this model, and a class of solutions to these equations is found.

  1. Effective dynamics of an electrically charged string with a current

    CERN Document Server

    Kazinski, P O

    2005-01-01

    Equations of motion for an electrically charged string with a current in an external electromagnetic field with regard to the first correction due to the self-action are derived. It is shown that the reparametrization invariance of the free action of the string imposes constraints on the possible form of the current. The effective equations of motion are obtained for an absolutely elastic charged string in the form of a ring (circle). Equations for the external electromagnetic fields that admit stationary states of such a ring are revealed. Solutions to the effective equations of motion of an absolutely elastic charged ring in the absence of external fields as well as in an external uniform magnetic field are obtained. In the latter case, the frequency at which one can observe radiation emitted by the ring is evaluated. A model of an absolutely nonstretchable charged string with a current is proposed. The effective equations of motion are derived within this model, and a class of solutions to these equations ...

  2. Electron dynamics at surfaces induced by highly charged ions

    NARCIS (Netherlands)

    Morgenstern, R

    Energy spectra of electrons resulting from hydrogen-like multiply charged N6+ and Q(7+) ions on various surfaces are presented and discussed. Por metal target surfaces thr formation and decay of hollow atoms during the approach towards the surface is rather well understood in terms of the classical

  3. Initial Energy Logistics Cost Analysis for Stationary, Quasi-Dynamic, and Dynamic Wireless Charging Public Transportation Systems

    Directory of Open Access Journals (Sweden)

    Young Jae Jang

    2016-06-01

    Full Text Available This paper presents an initial investment cost analysis of public transportation systems operating with wireless charging electric vehicles (EVs. There are three different types of wireless charging systems, namely, stationary wireless charging (SWC, in which charging happens only when the vehicle is parked or idle, quasi-dynamic wireless charging (QWC, in which power is transferred when a vehicle is moving slowly or in stop-and-go mode, and dynamic wireless charging (DWC, in which power can be supplied even when the vehicle is in motion. This analysis compares the initial investment costs for these three types of charging systems for a wireless charging-based public transportation system. In particular, this analysis is focused on the energy logistics cost in transportation, which is defined as the cost of transferring and storing the energy needed to operate the transportation system. Performing this initial investment analysis is complicated, because it involves considerable tradeoffs between the costs of batteries in the EV fleet and different kinds of battery-charging infrastructure. Mathematical optimization models for each type of EV and infrastructure system are used to analyze the initial costs. The optimization methods evaluate the minimum initial investment needed to deploy the public transportation system for each type of EV charging solution. To deal with the variable cost estimates for batteries and infrastructure equipment in the current market, a cost-sensitivity analysis is performed. The goal of this analysis is to identify the market cost conditions that are most favorable for each type of wireless charging solution. Furthermore, the cost analysis quantitatively verifies the qualitative comparison of the three different wireless charging types conducted in the previous research.

  4. Direct observation of dynamic charge stripes in La2-xSrxNiO4

    Science.gov (United States)

    Anissimova, S.; Parshall, D.; Gu, G. D.; Marty, K.; Lumsden, M. D.; Chi, Songxue; Fernandez-Baca, J. A.; Abernathy, D. L.; Lamago, D.; Tranquada, J. M.; Reznik, D.

    2014-03-01

    The insulator-to-metal transition continues to be a challenging subject, especially when electronic correlations are strong. In layered compounds, such as La2-xSrxNiO4 and La2-xBaxCuO4, the doped charge carriers can segregate into periodically spaced charge stripes separating narrow domains of antiferromagnetic order. Although there have been theoretical proposals of dynamically fluctuating stripes, direct spectroscopic evidence of charge-stripe fluctuations has been lacking. Here we report the detection of critical lattice fluctuations, driven by charge-stripe correlations, in La2-xSrxNiO4 using inelastic neutron scattering. This scattering is detected at large momentum transfers where the magnetic form factor suppresses the spin fluctuation signal. The lattice fluctuations associated with the dynamic charge stripes are narrow in q and broad in energy. They are strongest near the charge-stripe melting temperature. Our results open the way towards the quantitative theory of dynamic stripes and for directly detecting dynamical charge stripes in other strongly correlated systems, including high-temperature superconductors such as La2-xSrxCuO4.

  5. Direct observation of dynamic charge stripes in La2 xSrxNiO4

    Energy Technology Data Exchange (ETDEWEB)

    Anissimova, S. [University of Colorado, Boulder; Parshall, D [University of Colorado, Boulder; Gu, Genda [Brookhaven National Laboratory (BNL); Marty, K. [Oak Ridge National Laboratory (ORNL); Lumsden, Mark D [ORNL; Chi, Songxue [ORNL; Fernandez-Baca, Jaime A [ORNL; Abernathy, D. [Oak Ridge National Laboratory (ORNL); Lamago, D. [Laboratoire Leon Brillouin, France; Tranquada, John M. [Brookhaven National Laboratory (BNL); Reznik, Dmitry [University of Colorado, Boulder

    2014-01-01

    The insulator-to-metal transition continues to be a challenging subject, especially when electronic correlations are strong. In layered compounds, such as La2 xSrxNiO4 and La2 xBaxCuO4, the doped charge carriers can segregate into periodically spaced charge stripes separating narrow domains of antiferromagnetic order. Although there have been theoretical proposals of dynamically fluctuating stripes, direct spectroscopic evidence of charge-stripe fluctuations has been lacking. Here we report the detection of critical lattice fluctuations, driven by charge-stripe correlations, in La2 xSrxNiO4 using inelastic neutron scattering. This scattering is detected at large momentum transfers where the magnetic form factor suppresses the spin fluctuation signal. The lattice fluctuations associated with the dynamic charge stripes are narrow in q and broad in energy. They are strongest near the charge-stripe melting temperature. Our results open the way towards the quantitative theory of dynamic stripes and for directly detecting dynamical charge stripes in other strongly correlated systems, including high-temperature superconductors such as La2 xSrxCuO4.

  6. Ionization of helium targets by proton impact: a four-body distorted wave-eikonal initial state model and electron dynamic correlation

    Energy Technology Data Exchange (ETDEWEB)

    Monti, J M; Fojon, O A; Rivarola, R D [Instituto de Fisica Rosario (CONICET-UNR) and Facultad de Ciencias Exactas, IngenierIa y Agrimensura, Universidad Nacional de Rosario, Avenida Pellegrini 250, 2000 Rosario (Argentina); Hanssen, J, E-mail: monti@ifir-conicet.gov.a [Institut de Physique, Laboratoire de Physique Moleculaire et des Collisions, Universite Paul Verlaine - Metz, 1 Bv. Arago, 57078 Metz Cedex 3 (France)

    2009-10-14

    Single ionization of dielectronic atomic targets by the impact of protons is theoretically investigated. To describe this process, a four-body distorted wave model is proposed where both electrons are considered as active ones. In particular, the case corresponding to ionization of one of the electrons while the other one remains in a bound state of the residual target is analysed. The influence of the dynamic correlation between electrons, which is included in the model through the simultaneous time coupling of their evolutions during the collision, is analysed for the proton-helium system under different physical conditions.

  7. Simulation of Space Charge Dynamic in Polyethylene Under DC Continuous Electrical Stress

    Science.gov (United States)

    Boukhari, Hamed; Rogti, Fatiha

    2016-10-01

    The space charge dynamic plays a very important role in the aging and breakdown of polymeric insulation materials under high voltage. This is due to the intensification of the local electric field and the attendant chemical-mechanical effects in the vicinity around the trapped charge. In this paper, we have investigated the space charge dynamic in low-density polyethylene under high direct-current voltage, which is evaluated by experimental conditions. The evaluation is on the basis of simulation using a bipolar charge transport model consisting of charge injection, transports, trapping, detrapping, and recombination phenomena. The theoretical formulation of the physical problem is based on the Poisson, the continuity, and the transport equations. Numerical results provide temporal and local distributions of the electric field, the space charge density for the different kinds of charges (net charge density, mobile and trapped of electron density, mobile hole density), conduction and displacement current densities, and the external current. The result shows the appearance of the negative packet-like space charge with a large amount of the bulk under the dc electric field of 100 kV/mm, and the induced distortion of the electric field is largely near to the anode, about 39% higher than the initial electric field applied.

  8. Structural dynamics of a noncovalent charge transfer complex from femtosecond stimulated Raman spectroscopy.

    Science.gov (United States)

    Fujisawa, Tomotsumi; Creelman, Mark; Mathies, Richard A

    2012-09-06

    Femtosecond stimulated Raman spectroscopy is used to examine the structural dynamics of photoinduced charge transfer within a noncovalent electron acceptor/donor complex of pyromellitic dianhydride (PMDA, electron acceptor) and hexamethylbenzene (HMB, electron donor) in ethylacetate and acetonitrile. The evolution of the vibrational spectrum reveals the ultrafast structural changes that occur during the charge separation (Franck-Condon excited state complex → contact ion pair) and the subsequent charge recombination (contact ion pair → ground state complex). The Franck-Condon excited state is shown to have significant charge-separated character because its vibrational spectrum is similar to that of the ion pair. The charge separation rate (2.5 ps in ethylacetate and ∼0.5 ps in acetonitrile) is comparable to solvation dynamics and is unaffected by the perdeuteration of HMB, supporting the dominant role of solvent rearrangement in charge separation. On the other hand, the charge recombination slows by a factor of ∼1.4 when using perdeuterated HMB, indicating that methyl hydrogen motions of HMB mediate the charge recombination process. Resonance Raman enhancement of the HMB vibrations in the complex reveals that the ring stretches of HMB, and especially the C-CH(3) deformations are the primary acceptor modes promoting charge recombination.

  9. Dynamic Charge Storage in Ionic Liquids-Filled Nanopores: Insight from a Computational Cyclic Voltammetry Study.

    Science.gov (United States)

    He, Yadong; Huang, Jingsong; Sumpter, Bobby G; Kornyshev, Alexei A; Qiao, Rui

    2015-01-02

    Understanding the dynamic charge storage in nanoporous electrodes with room-temperature ionic liquid electrolytes is essential for optimizing them to achieve supercapacitors with high energy and power densities. Herein, we report coarse-grained molecular dynamics simulations of the cyclic voltammetry of supercapacitors featuring subnanometer pores and model ionic liquids. We show that the cyclic charging and discharging of nanopores are governed by the interplay between the external field-driven ion transport and the sloshing dynamics of ions inside of the pore. The ion occupancy along the pore length depends strongly on the scan rate and varies cyclically during charging/discharging. Unlike that at equilibrium conditions or low scan rates, charge storage at high scan rates is dominated by counterions while the contribution by co-ions is marginal or negative. These observations help explain the perm-selective charge storage observed experimentally. We clarify the mechanisms underlying these dynamic phenomena and quantify their effects on the efficiency of the dynamic charge storage in nanopores.

  10. Nonlinear Dynamics of Capacitive Charging and Desalination by Porous Electrodes

    CERN Document Server

    Biesheuvel, P M

    2009-01-01

    The rapid and efficient exchange of ions between porous electrodes and aqueous solutions is important in many applications, such as electrical energy storage by super-capacitors, water desalination and purification by capacitive deionization (or desalination), and capacitive extraction of renewable energy from a salinity difference. Here, we present a unified mean-field theory for capacitive charging and desalination by ideally polarizable porous electrodes (without Faradaic reactions or specific adsorption of ions) in the limit of thin double layers (compared to typical pore dimensions). We illustrate the theory in the case of a dilute, symmetric, binary electrolyte using the Gouy-Chapman-Stern (GCS) model of the double layer, for which simple formulae are available for salt adsorption and capacitive charging of the diffuse part of the double layer. We solve the full GCS mean-field theory numerically for realistic parameters in capacitive deionization, and we derive reduced models for two limiting regimes wi...

  11. Dynamics of charged particles in an adiabatic thermal beam equilibrium

    Directory of Open Access Journals (Sweden)

    Haofei Wei

    2011-02-01

    Full Text Available Charged-particle motion is studied in the self-electric and self-magnetic fields of a well-matched, intense charged-particle beam and an applied periodic solenoidal magnetic focusing field. The beam is assumed to be in a state of adiabatic thermal equilibrium. The phase space is analyzed and compared with that of the well-known Kapchinskij-Vladimirskij (KV-type beam equilibrium. It is found that the widths of nonlinear resonances in the adiabatic thermal beam equilibrium are narrower than those in the KV-type beam equilibrium. Numerical evidence is presented, indicating almost complete elimination of chaotic particle motion in the adiabatic thermal beam equilibrium.

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

    Science.gov (United States)

    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.

  13. Dynamic control of a homogeneous charge compression ignition engine

    Science.gov (United States)

    Duffy, Kevin P.; Mehresh, Parag; Schuh, David; Kieser, Andrew J.; Hergart, Carl-Anders; Hardy, William L.; Rodman, Anthony; Liechty, Michael P.

    2008-06-03

    A homogenous charge compression ignition engine is operated by compressing a charge mixture of air, exhaust and fuel in a combustion chamber to an autoignition condition of the fuel. The engine may facilitate a transition from a first combination of speed and load to a second combination of speed and load by changing the charge mixture and compression ratio. This may be accomplished in a consecutive engine cycle by adjusting both a fuel injector control signal and a variable valve control signal away from a nominal variable valve control signal. Thereafter in one or more subsequent engine cycles, more sluggish adjustments are made to at least one of a geometric compression ratio control signal and an exhaust gas recirculation control signal to allow the variable valve control signal to be readjusted back toward its nominal variable valve control signal setting. By readjusting the variable valve control signal back toward its nominal setting, the engine will be ready for another transition to a new combination of engine speed and load.

  14. Molecular dynamics simulation of water between two charged layers of dipalmitoylphosphatidylserine

    NARCIS (Netherlands)

    Cascales, J.J.L.; Berendsen, H.J.C.; delaTorre, J.G.

    1996-01-01

    A molecular dynamics simulation of water between two charged layers of dipalmitoylphosphatidylserine in its liquid-crystalline state with atomic detail was carried out. From an analysis of a trajectory of 184 ps of length, we obtained information about the dynamics and structure of water between suc

  15. Negative charge and charging dynamics in Al2O3 films on Si characterized by second-harmonic generation

    Science.gov (United States)

    Gielis, J. J. H.; Hoex, B.; van de Sanden, M. C. M.; Kessels, W. M. M.

    2008-10-01

    Thin films of Al2O3 synthesized by atomic layer deposition provide an excellent level of interface passivation of crystalline silicon (c-Si) after a postdeposition anneal. The Al2O3 passivation mechanism has been elucidated by contactless characterization of c-Si/Al2O3 interfaces by optical second-harmonic generation (SHG). SHG has revealed a negative fixed charge density in as-deposited Al2O3 on the order of 1011 cm-2 that increased to 1012-1013 cm-2 upon anneal, causing effective field-effect passivation. In addition, multiple photon induced charge trapping dynamics suggest a reduction in recombination channels after anneal and indicate a c-Si/Al2O3 conduction band offset of 2.02±0.04 eV.

  16. Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene–fullerene heterojunction

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, Keith H., E-mail: keith.hughes@bangor.ac.uk [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Cahier, Benjamin [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Martinazzo, Rocco [Dipartimento di Chimica Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Tamura, Hiroyuki [WPI-Advanced Institute for Material Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Burghardt, Irene [Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main (Germany)

    2014-10-17

    Highlights: • Quantum dynamical study of exciton dissociation at a heterojunction interface. • The non-Markovian quantum dynamics involves a highly structured spectral density. • Spectral density is reconstructed from an effective mode transformation of the Hamiltonian. • The dynamics is studied using the hierarchical equations of motion approach. • It was found that the temperature has little effect on the charge transfer. - Abstract: We extend our recent quantum dynamical study of the exciton dissociation and charge transfer at an oligothiophene–fullerene heterojunction interface (Tamura et al., 2012) [6] by investigating the process using the non-perturbative hierarchical equations of motion (HEOM) approach. Based upon an effective mode reconstruction of the spectral density the effect of temperature on the charge transfer is studied using reduced density matrices. It was found that the temperature had little effect on the charge transfer and a coherent dynamics persists over the first few tens of femtoseconds, indicating that the primary charge transfer step proceeds by an activationless pathway.

  17. Voltage and Pressure Scaling of Streamer Dynamics in a Helium Plasma Jet With N2 CO-Flow (Postprint)

    Science.gov (United States)

    2014-08-14

    increased applied voltage. These observed differences in the 2-D scaling properties of ionization wave sustained cathode directed streamer propagation in...streamer propagation in helium versus air16,17 are responsible for the observed differences in the propagation of ionization wave sustained streamer...increase quadratically with increased applied voltage. These observed differences in the 2-D scaling properties of ionization wave sustained cathode

  18. Global helium particle balance in LHD

    Energy Technology Data Exchange (ETDEWEB)

    Motojima, G., E-mail: motojima.gen@lhd.nifs.ac.jp [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan); Masuzaki, S.; Tokitani, M.; Kasahara, H.; Yoshimura, Y.; Kobayashi, M.; Sakamoto, R.; Morisaki, T.; Miyazawa, J.; Akiyama, T. [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan); Ohno, N. [Graduate School of Engineering, Nagoya University, Nagoya, Aichi 464-8603 (Japan); Mutoh, T.; Yamada, H. [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan)

    2015-08-15

    Global helium particle balance in long-pulse discharges is analyzed for the first time in the Large Helical Device (LHD) with the plasma-facing components of the first wall and the divertor tiles composed of stainless steel and carbon, respectively. During the 2-min discharge sustained by ion cyclotron resonance heating (ICRH) and electron cyclotron heating (ECH), helium is observed to be highly retained in the wall (regarded as both the first wall and the divertor tiles). Almost all (about 96%) puffed helium particles (1.3 × 10{sup 22} He) are absorbed in the wall near the end of the discharge. Even though a dynamic retention is eliminated, 56% is still absorbed. The analysis is also applied to longer pulse discharges over 40 min by ICRH and ECH, indicating that the helium wall retention is dynamically changed in time. At the initial phase of the discharge, a mechanism for adsorbing helium other than dynamical retention is invoked.

  19. A Dynamic Algorithm for Facilitated Charging of Plug-In Electric Vehicles

    CERN Document Server

    Taheri, Nicole; Ye, Yinyu

    2011-01-01

    Plug-in Electric Vehicles (PEVs) are a rapidly developing technology that can reduce greenhouse gas emissions and change the way vehicles obtain power. PEV charging stations will most likely be available at home and at work, and occasionally be publicly available, offering flexible charging options. Ideally, each vehicle will charge during periods when electricity prices are relatively low, to minimize the cost to the consumer and maximize societal benefits. A Demand Response (DR) service for a fleet of PEVs could yield such charging schedules by regulating consumer electricity use during certain time periods, in order to meet an obligation to the market. We construct an automated DR mechanism for a fleet of PEVs that facilitates vehicle charging to ensure the demands of the vehicles and the market are met. Our dynamic algorithm depends only on the knowledge of a few hundred driving behaviors from a previous similar day, and uses a simple adjusted pricing scheme to instantly assign feasible and satisfactory c...

  20. Vortex Dynamics in Selfdual Maxwell-Higgs Systems with Uniform Background Electric Charge Density

    CERN Document Server

    Lee, K M

    1994-01-01

    We introduce selfdual Maxwell-Higgs systems with uniform background electric charge density and show that the selfdual equations satisfied by topological vortices can be reduced to the original Bogomol'nyi equations without any background. These vortices are shown to carry no spin but to feel the Magnus force due to the shielding charge carried by the Higgs field. We also study the dynamics of slowly moving vortices and show that the spin-statistics theorem holds to our vortices.

  1. Charge polarization with large amplitude hydrogen motion of pyrazinyl radical: implication for the diffusion dynamics

    Science.gov (United States)

    Morita, Akihiro; Kato, Shigeki

    2001-11-01

    In this Letter we discuss in the case of pyrazinyl radical the effect of the large amplitude motion on the charge polarization. The extra hydrogen of pyrazinyl radical is nonplanar at the equilibrium geometry, whereas it is delocalized in the vibrational ground state along the wagging direction. The large amplitude motion of the hydrogen triply enhances the effective out-of-plane polarizability of the ground state. This augmented charge polarization could play a considerable role in the diffusion dynamics in solutions.

  2. Accounting, charging and billing for dynamic service composition chains

    NARCIS (Netherlands)

    Rumph, F.J.; Kruithof, G.H.; Huitema, G.B.

    2010-01-01

    Services delivered to an end user can be composed of numerous subservices and form chains of composed services. These service composition chains traditionally consist of a static set of business entities. However, in order to increase business agility, dynamic service composition chains can be used

  3. Chaotic dynamics of strings in charged black hole backgrounds

    CERN Document Server

    Basu, Pallab; Samantray, Prasant

    2016-01-01

    We study the motion of a string in the background of Reissner-Nordstrom black hole, in both AdS as well as asymptotically flat spacetimes. We describe the phase space of this dynamical system through largest Lyapunov exponent, Poincare sections and basins of attractions. We observe that string motion in these settings is particularly chaotic and comment on its characteristics.

  4. Charge dynamics in conducting polyaniline–metal oxalate composites

    Indian Academy of Sciences (India)

    R Murugesan; E Subramanian

    2003-08-01

    Polyaniline (Pani) and its metal oxalate composites (∼ 10 wt.%) of trivalent metal ions of Cr, Fe, Mn, Co and Al were synthesized by chemical oxidative polymerization technique with potassium perdisulphate oxidant in aqueous sulphuric acid medium. These materials were characterized by UV–VIS and EPR spectral techniques. Their d.c. electrical conductivities at room temperature and also as a function of temperature (307–453 K) were measured by four-probe technique. Presence of radical cation/polaron transition was indicated by UV–VIS absorption peak and EPR signals. Further, a close correlation existed between the conductivities and EPR parameters such as line width and peak ratio, which demonstrated that both mobile and fixed spins are involved in these composites. The dependence of conductivity on temperature, when analysed graphically by VRH, GB and TC mechanisms, pointed out that VRH is the predominant charge transport mechanism in these materials.

  5. Comparison of electron and hole charge-discharge dynamics in germanium nanocrystal flash memories

    Science.gov (United States)

    Akca, Imran B.; Dâna, Aykutlu; Aydinli, Atilla; Turan, Rasit

    2008-02-01

    Electron and hole charge and discharge dynamics are studied on plasma enhanced chemical vapor deposition grown metal-oxide-silicon germanium nanocrystal flash memory devices. Electron and hole charge and discharge currents are observed to differ significantly and depend on annealing conditions chosen for the formation of nanocrystals. At low annealing temperatures, holes are seen to charge slower but to escape faster than electrons. They discharge slower than electrons when annealing temperatures are raised. The results suggest that discharge currents are dominated by the interface layer acting as a quantum well for holes and by direct tunneling for elec-trons.

  6. Explicit symplectic algorithms based on generating functions for charged particle dynamics

    CERN Document Server

    Zhang, Ruili; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan

    2016-01-01

    Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is widely accepted that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and that this restriction severely limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second and third order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of $H(\\mathbf{p},\\mathbf{q})=\\mathbf{p}_{i}f(\\mathbf{q})$ or $H(\\mathbf{p},\\mathbf{q})=\\mathbf{q}...

  7. Ultrafast dynamics of solvation and charge transfer in a DNA-based biomaterial.

    Science.gov (United States)

    Choudhury, Susobhan; Batabyal, Subrata; Mondol, Tanumoy; Sao, Dilip; Lemmens, Peter; Pal, Samir Kumar

    2014-05-01

    Charge migration along DNA molecules is a key factor for DNA-based devices in optoelectronics and biotechnology. The association of a significant amount of water molecules in DNA-based materials for the intactness of the DNA structure and their dynamic role in the charge-transfer (CT) dynamics is less documented in contemporary literature. In the present study, we have used a genomic DNA-cetyltrimethyl ammonium chloride (CTMA) complex, a technological important biomaterial, and Hoechest 33258 (H258), a well-known DNA minor groove binder, as fluorogenic probe for the dynamic solvation studies. The CT dynamics of CdSe/ZnS quantum dots (QDs; 5.2 nm) embedded in the as-prepared and swollen biomaterial have also been studied and correlated with that of the timescale of solvation. We have extended our studies on the temperature-dependent CT dynamics of QDs in a nanoenvironment of an anionic, sodium bis(2-ethylhexyl)sulfosuccinate reverse micelle (AOT RMs), whereby the number of water molecules and their dynamics can be tuned in a controlled manner. A direct correlation of the dynamics of solvation and that of the CT in the nanoenvironments clearly suggests that the hydration barrier within the Arrhenius framework essentially dictates the charge-transfer dynamics.

  8. Attosecond Electron Processes in Materials: Excitons, Plasmons, and Charge Dynamics

    Science.gov (United States)

    2015-05-19

    plasmon electric field will introduce several features in both velocity map images ( VMI ) and time-of-flight (TOF) photoelectron velocity traces that...dipole moment of 80 nm silver nanospheres excited by a resonant 5-fs, 376 nm laser pulse using VMI (a) and ToF (b) techniques. (a) Plot of the...dynamical dipole moment amplitude (green, right axis). The analysis showed that conventional VMI analysis by means of Legendre polynomial decomposition is

  9. Charging of Space Debris and Their Dynamical Consequences

    Science.gov (United States)

    2016-01-08

    and  Plasma  Physics  Group,                     Department  of   Astronomy ...senabhijit@gmail.com 1DISTRIBUTION A: Distribution approved for public release. I. INTRODUCTION The near exponential rise of space debris at the...hamr) objects: influence of solar radiation pressure, earths shadow and the visibility in light curves. Celestial Mechanics and Dynamical Astronomy

  10. Chaotic dynamics of strings in charged black hole backgrounds

    Science.gov (United States)

    Basu, Pallab; Chaturvedi, Pankaj; Samantray, Prasant

    2017-03-01

    We study the motion of a string in the background of a Reissner-Nordstrom black hole, in both anti-de Sitter as well as asymptotically flat spacetimes. We describe the phase space of this dynamical system through the largest Lyapunov exponent, Poincaré sections and basins of attraction. We observe that string motion in these settings is particularly chaotic and comment on its characteristics.

  11. Photochemistry inside superfluid helium nano droplets

    Energy Technology Data Exchange (ETDEWEB)

    Slenczka, Alkwin; Vdovin, Alexander; Dick, Bernhard [Inst. fuer Physikalische und Theoretische Chemie, Univ. Regensburg (Germany)

    2007-07-01

    Superfluid helium nano droplets serve as the most gentle cyrogenic matrix for creating isolated and cold molecules. High resolution electronic spectroscopy is sensitive for the investigation of the very weak perturbation of the helium droplet on the embedded molecule. Fluorescence excitation spectra, dispersed emission spectra and pump--probe-spectra show details of the salvation of molecules in helium droplets which were attributed to relaxation processes of the first solvation layer around the dopant. Photochemistry such as ESIPT, tautomerization by proton transfer and charge transfer are highly sensitive on intermolecular perturbations. We have studies such processes in superfluid helium droplets. The comparison with the respective gas phase experiments and quantum chemical calculations reveals further details on the photochemistry as well as on the perturbation by the superfluid helium droplet.

  12. Dynamical charge density waves rule the phase diagram of cuprates

    Science.gov (United States)

    Caprara, S.; Di Castro, C.; Seibold, G.; Grilli, M.

    2017-06-01

    In the last few years, charge density waves (CDWs) have been ubiquitously observed in high-temperature superconducting cuprates and are now the most investigated among the competing orders in the still hot debate on these systems. A wealth of new experimental data raises several fundamental issues that challenge the various theoretical proposals. We here relate our mean-field instability line TCDW0 of a strongly correlated Fermi liquid to the pseudogap T*(p ) line, marking in this way the onset of CDW-fluctuations. These fluctuations reduce strongly the mean-field critical line. Controlling this reduction via an infrared frequency cutoff related to the characteristic time of the probes, we account for the complex experimental temperature versus doping phase diagram. We provide a coherent scenario explaining why different CDW onset curves are observed by different experimental probes and seem to extrapolate at zero temperature into seemingly different quantum critical points (QCPs) in the intermediate and overdoped region. The nearly singular anisotropic scattering mediated by these fluctuations also accounts for the rapid changes of the Hall number seen in experiments and provides the first necessary step for a possible Fermi surface reconstruction fully establishing at lower doping. Finally, we show that phase fluctuations of the CDWs, which are enhanced in the presence of strong correlations near the Mott insulating phase, naturally account for the disappearance of the CDWs at low doping with yet another QCP as seen by the experiments.

  13. Thermophysical properties of helium using molecular dynamics simulations%氦热力学性质的分子动力学研究

    Institute of Scientific and Technical Information of China (English)

    何以广; 王钊; 梁晶; 高爽; 田宝贤; 汤秀章

    2011-01-01

    The equation of state, melting line and metallization of helium have been studied by using quantum and classical molecular dynamics simulations. The melting line has been obtained by analyzing the radial distribution function and the diffusion parameter which is close to the experimental values. Equations of state when the temperature is less than 4. 5 eV and the density is between 0.3 g/cm3 and 5.0 g/cm3 are also studied. Finally, it is found that the temperature can reduce the metallization density and metallization pressure of helium.%摘要:利用经典分子动力学和第一性原理分子动力学,研究了氦在高压下的熔化曲线、状态方程和非金属-金属转变.得到了氦在温度小于4.5 eV、密度0.3~5.0 g/cm3范围内的状态方程,并把氦的熔化曲线的压强范围拓展到了50 GPa.氦的能隙宽度曲线表明,温度大大降低了氦的金属化密度.

  14. A Model of Charge Transfer Excitons: Diffusion, Spin Dynamics, and Magnetic Field Effects

    CERN Document Server

    Lee, Chee Kong; Willard, Adam P

    2016-01-01

    In this letter we explore how the microscopic dynamics of charge transfer (CT) excitons are influenced by the presence of an external magnetic field in disordered molecular semiconductors. This influence is driven by the dynamic interplay between the spin and spatial degrees of freedom of the electron-hole pair. To account for this interplay we have developed a numerical framework that combines a traditional model of quantum spin dynamics with a coarse-grained model of stochastic charge transport. This combination provides a general and efficient methodology for simulating the effects of magnetic field on CT state dynamics, therefore providing a basis for revealing the microscopic origin of experimentally observed magnetic field effects. We demonstrate that simulations carried out on our model are capable of reproducing experimental results as well as generating theoretical predictions related to the efficiency of organic electronic materials.

  15. Tracking excited-state charge and spin dynamics in iron coordination complexes

    DEFF Research Database (Denmark)

    Zhang, Wenkai; Alonso-Mori, Roberto; Bergmann, Uwe

    2014-01-01

    to spin state, can elucidate the spin crossover dynamics of [Fe(2,2'-bipyridine)(3)](2+) on photoinduced metal-to-ligand charge transfer excitation. We are able to track the charge and spin dynamics, and establish the critical role of intermediate spin states in the crossover mechanism. We anticipate......Crucial to many light-driven processes in transition metal complexes is the absorption and dissipation of energy by 3d electrons(1-4). But a detailed understanding of such non-equilibrium excited-state dynamics and their interplay with structural changes is challenging: a multitude of excited...... states and possible transitions result in phenomena too complex to unravel when faced with the indirect sensitivity of optical spectroscopy to spin dynamics(5) and the flux limitations of ultrafast X-ray sources(6,7). Such a situation exists for archetypal poly-pyridyl iron complexes, such as [Fe(2...

  16. Higher-order spin and charge dynamics in a quantum dot-lead hybrid system.

    Science.gov (United States)

    Otsuka, Tomohiro; Nakajima, Takashi; Delbecq, Matthieu R; Amaha, Shinichi; Yoneda, Jun; Takeda, Kenta; Allison, Giles; Stano, Peter; Noiri, Akito; Ito, Takumi; Loss, Daniel; Ludwig, Arne; Wieck, Andreas D; Tarucha, Seigo

    2017-09-22

    Understanding the dynamics of open quantum systems is important and challenging in basic physics and applications for quantum devices and quantum computing. Semiconductor quantum dots offer a good platform to explore the physics of open quantum systems because we can tune parameters including the coupling to the environment or leads. Here, we apply the fast single-shot measurement techniques from spin qubit experiments to explore the spin and charge dynamics due to tunnel coupling to a lead in a quantum dot-lead hybrid system. We experimentally observe both spin and charge time evolution via first- and second-order tunneling processes, and reveal the dynamics of the spin-flip through the intermediate state. These results enable and stimulate the exploration of spin dynamics in dot-lead hybrid systems, and may offer useful resources for spin manipulation and simulation of open quantum systems.

  17. Dynamics of charged bulk viscous collapsing cylindrical source with heat flux

    Energy Technology Data Exchange (ETDEWEB)

    Shah, S.M.; Abbas, G. [The Islamia University of Bahawalpur, Department of Mathematics, Bahawalpur (Pakistan)

    2017-04-15

    In this paper, we have explored the effects of dissipation on the dynamics of charged bulk viscous collapsing cylindrical source which allows the out-flow of heat flux in the form of radiations. The Misner-Sharp formalism has been implemented to drive the dynamical equation in terms of proper time and radial derivatives. We have investigated the effects of charge and bulk viscosity on the dynamics of collapsing cylinder. To determine the effects of radial heat flux, we have formulated the heat transport equations in the context of Mueller-Israel-Stewart theory by assuming that thermodynamics viscous/heat coupling coefficients can be neglected within some approximations. In our discussion, we have introduced the viscosity by the standard (non-causal) thermodynamics approach. The dynamical equations have been coupled with the heat transport equation; the consequences of the resulting coupled heat equation have been analyzed in detail. (orig.)

  18. Charge-Neutral Constant pH Molecular Dynamics Simulations Using a Parsimonious Proton Buffer.

    Science.gov (United States)

    Donnini, Serena; Ullmann, R Thomas; Groenhof, Gerrit; Grubmüller, Helmut

    2016-03-08

    In constant pH molecular dynamics simulations, the protonation states of titratable sites can respond to changes of the pH and of their electrostatic environment. Consequently, the number of protons bound to the biomolecule, and therefore the overall charge of the system, fluctuates during the simulation. To avoid artifacts associated with a non-neutral simulation system, we introduce an approach to maintain neutrality of the simulation box in constant pH molecular dynamics simulations, while maintaining an accurate description of all protonation fluctuations. Specifically, we introduce a proton buffer that, like a buffer in experiment, can exchange protons with the biomolecule enabling its charge to fluctuate. To keep the total charge of the system constant, the uptake and release of protons by the buffer are coupled to the titration of the biomolecule with a constraint. We find that, because the fluctuation of the total charge (number of protons) of a typical biomolecule is much smaller than the number of titratable sites of the biomolecule, the number of buffer sites required to maintain overall charge neutrality without compromising the charge fluctuations of the biomolecule, is typically much smaller than the number of titratable sites, implying markedly enhanced simulation and sampling efficiency.

  19. Prediction of coking dynamics for wet coal charge

    Directory of Open Access Journals (Sweden)

    Kardaś Dariusz

    2015-09-01

    Full Text Available A one-dimensional transient mathematical model describing thermal and flow phenomena during coal coking in an oven chamber was studied in the paper. It also accounts for heat conduction in the ceramic oven wall when assuming a constant temperature at the heating channel side. The model was solved numerically using partly implicit methods for gas flow and heat transfer problems. The histories of temperature, gas evolution and internal pressure were presented and analysed. The theoretical predictions of temperature change in the centre plane of the coke oven were compared with industrialscale measurements. Both, the experimental data and obtained numerical results show that moisture content determines the coking process dynamics, lagging the temperature increase above the water steam evaporation temperature and in consequence the total coking time. The phenomenon of internal pressure generation in the context of overlapping effects of simultaneously occurring coal transitions - devolatilisation and coal permeability decrease under plastic stage - was also discussed.

  20. Near-infrared induced charge dynamics of the nitrogen vacancy center in diamond

    Science.gov (United States)

    Hopper, David A.; Grote, Richard R.; Exarhos, Annemarie L.; Bassett, Lee C.

    The nitrogen-vacancy (NV) center in diamond is a key functional element in emerging quantum technologies such as nodes in quantum information processing and nanoscale sensors for condensed matter physics and biology. Recent efforts to optimize the NV's functionality lead to the discovery of photoinduced charge-state switching between the negative (NV-) and neutral (NV0) states which holds great potential to enhance the fidelity of spin readout. While the charge state dynamics under visible illumination have been studied, the effect of infrared light remains unexplored. Here, we use a tunable, pulsed infrared source to illuminate NV centers under various spin and optical states. Precise time-domain control of visible, microwave, and infrared pulses together with single-shot charge readout allows for the direct probing of spin and charge dynamics induced by the infrared light. This new understanding is relevant for the development of advanced protocols to leverage the NV's complete spin, charge, and optical dynamics for quantum control and sensing applications.

  1. The stereo-dynamics of collisional autoionization of ammonia by helium and neon metastable excited atoms through molecular beam experiments

    Energy Technology Data Exchange (ETDEWEB)

    Falcinelli, Stefano, E-mail: stefano.falcinelli@unipg.it; Vecchiocattivi, Franco [Department of Civil and Environmental Engineering, University of Perugia, Via G. Duranti 93, 06125 Perugia (Italy); Bartocci, Alessio; Cavalli, Simonetta; Pirani, Fernando [Department of Chemistry, Biology, and Biotechnology, University of Perugia, Via Elce di sotto 8, 06123 Perugia (Italy)

    2015-10-28

    A combined analysis of both new (energy spectra of emitted electrons) and previously published (ionization cross sections) experimental data, measured under the same conditions and concerning electronically excited lighter noble gas –NH{sub 3} collisional autoionization processes, is carried out. Such an analysis, performed by exploiting a formulation of the full potential energy surface both in the real and imaginary parts, provides direct information on energetics, structure, and lifetime of the intermediate collision complex over all the configuration space. The marked anisotropy in the attraction of the real part, driving the approach of reagents, and the selective role of the imaginary component, associated to the charge transfer coupling between entrance and exit channels, suggests that reactive events occur almost exclusively in the molecular hemisphere containing the nitrogen lone pair. Crucial details on the stereo-dynamics of elementary collisional autoionization processes are then obtained, in which the open shell nature of the disclosed ionic core of metastable atom plays a crucial role. The same analysis also suggests that the strength of the attraction and the anisotropy of the interaction increases regularly along the series Ne{sup *}({sup 3}P), He{sup *}({sup 3}S), He{sup *}({sup 1}S)–NH{sub 3}. These findings can be ascribed to the strong rise of the metastable atom electronic polarizability (deformability) along the series. The obtained results can stimulate state of the art ab initio calculations focused on specific features of the transition state (energetics, structure, lifetime, etc.) which can be crucial for a further improvement of the adopted treatment and to better understand the nature of the leading interaction components which are the same responsible for the formation of the intermolecular halogen and hydrogen bond.

  2. The stereo-dynamics of collisional autoionization of ammonia by helium and neon metastable excited atoms through molecular beam experiments.

    Science.gov (United States)

    Falcinelli, Stefano; Bartocci, Alessio; Cavalli, Simonetta; Pirani, Fernando; Vecchiocattivi, Franco

    2015-10-28

    A combined analysis of both new (energy spectra of emitted electrons) and previously published (ionization cross sections) experimental data, measured under the same conditions and concerning electronically excited lighter noble gas -NH3 collisional autoionization processes, is carried out. Such an analysis, performed by exploiting a formulation of the full potential energy surface both in the real and imaginary parts, provides direct information on energetics, structure, and lifetime of the intermediate collision complex over all the configuration space. The marked anisotropy in the attraction of the real part, driving the approach of reagents, and the selective role of the imaginary component, associated to the charge transfer coupling between entrance and exit channels, suggests that reactive events occur almost exclusively in the molecular hemisphere containing the nitrogen lone pair. Crucial details on the stereo-dynamics of elementary collisional autoionization processes are then obtained, in which the open shell nature of the disclosed ionic core of metastable atom plays a crucial role. The same analysis also suggests that the strength of the attraction and the anisotropy of the interaction increases regularly along the series Ne*((3)P), He*((3)S), He*((1)S)-NH3. These findings can be ascribed to the strong rise of the metastable atom electronic polarizability (deformability) along the series. The obtained results can stimulate state of the art ab initio calculations focused on specific features of the transition state (energetics, structure, lifetime, etc.) which can be crucial for a further improvement of the adopted treatment and to better understand the nature of the leading interaction components which are the same responsible for the formation of the intermolecular halogen and hydrogen bond.

  3. Self-modulated dynamics of a relativistic charged particle beam in plasma wake field excitation

    Energy Technology Data Exchange (ETDEWEB)

    Akhter, T.; Fedele, R. [Dipartimento di Fisica ‘Ettore Pancini’, Università di Napoli Federico II and INFN Sezione di Napoli, Napoli (Italy); Nicola, S. De [CNR-SPIN and INFN Sezione di Napoli, Napoli (Italy); Tanjia, F. [Dipartimento di Fisica ‘Ettore Pancini’, Università di Napoli Federico II and INFN Sezione di Napoli, Napoli (Italy); Jovanović, D. [Institute of Physics, University of Belgrade, Belgrade (Serbia); Mannan, A. [Department of Physics, Jahangirnagar University, Savar, Dhaka (Bangladesh)

    2016-09-01

    The self-modulated dynamics of a relativistic charged particle beam is provided within the context of the theory of plasma wake field excitation. The self-consistent description of the beam dynamics is provided by coupling the Vlasov equation with a Poisson-type equation relating the plasma wake potential to the beam density. An analysis of the beam envelope self-modulation is then carried out and the criteria for the occurrence of the instability are discussed thereby.

  4. Dynamical theory of primary processes of charge separation in the photosynthetic reaction center.

    Science.gov (United States)

    Lakhno, Victor D

    2005-05-01

    A dynamical theory has been developed for primary separation of charges in the course of photosynthesis. The theory deals with both hopping and superexchange transfer mechanisms. Dynamics of electron transfer from dimeric bacteriochlorophyll to quinone has been calculated. The results obtained agree with experimental data and provide a unified explanation of both the hierarchy of the transfer time in the photosynthetic reaction center and the phenomenon of coherent oscillations accompanying the transfer process.

  5. 分子动力学模拟中氦分子势函数的应用%Potential functions of helium in molecular dynamics

    Institute of Scientific and Technical Information of China (English)

    陈煜; 陈硕

    2012-01-01

    In order to find appropriate form of potential function and determine the dimensionless equation for intermolecular force of helium-4 atoms in molecular dynamics (MD) study, mathematical expressions and application conditions are analyzed. The standard LJ potential function (LJ-12-6) is widely used in the MD simulation for the gas with simple structure because of its simple form and satisfactory precision. For helium, the repulsive part of the potential expressed in minus twelve power of r is inappropriate and exponential function is used instead. EXP-6 potential is one of the potential functions with exponential repulsive interaction and explains the multi-body interaction between liquid helium atoms, in which the attractive part is the main part of the van der Waals attractive interaction. Another potential function with exponential repulsive interaction is the Bruch-McGee semi-empirical piecewise function, but its final expression and application is complex. Tang-Toennies potential function is more appropriate for describing the helium gas with low density. The dimensionless equations of the intermolecular force for helium-4 atoms are obtained based on the dimensional analysis and can be used in the molecular dynamics simulation.%为了能够在关于氦的分子动力学的模拟中准确地使用其势函数,并确定其量纲1分子间相互作用力,通过对比分析可用于氦的势函数的数学形式和使用条件,指出虽然标准Lennard-Jones (LJ-12-6)势函数的物理意义清晰、形式简化、应用广泛,但对于氦而言,分子间的排斥力不再适宜采用原子中心间距r的-12次方的形式,而更适合采用指数形式的排斥项.在具有指数形式排斥项的势函数中,EXP-6势函数较好地反映了液氦原子间的多体相互作用,其吸引项是van der Waals吸引力的主要组成部分;Bruch-McGee组合半经验势函数多具有分段函数的形式,在模拟过程中转变为分子间作用力的过程和最

  6. A dynamic method for charging-up calculations: the case of GEM

    CERN Document Server

    Correia, P M M; Azevedo, C D R; Silva, A L M; Veenhof, R; Nemallapudi, Mythra Varun; Veloso, J F C A

    2014-01-01

    The simulation of Micro Pattern Gaseous Detectors (MPGDs) signal response is an important and powerful tool for the design and optimization of such detectors. However, several attempts to simulate exactly the effective charge gain have not been completely successful. Namely, the gain stability over time has not been fully understood. Charging-up of the insulator surfaces have been pointed as one of the responsible for the difference between experimental and Monte Carlo results. This work describes two iterative methods to simulate the charging-up in one MPGD device, the Gas Electron Multiplier (GEM). The first method uses a constant step for avalanches time evolution, very detailed, but slower to compute. The second method uses a dynamic step that improves the computing time. Good agreement between both methods was reached. Despite of comparison with experimental results shows that charging-up plays an important role in detectors operation, should not be the only responsible for the difference between simulat...

  7. Effect of topological defects and Coulomb charge on the low energy quantum dynamics of gapped graphene

    CERN Document Server

    Chakraborty, Baishali; Sen, Siddhartha

    2012-01-01

    We study the combined effect of a conical topological defect and a Coulomb charge impurity on the dynamics of Dirac fermions in gapped graphene. Beyond a certain strength of the Coulomb charge, quantum instability sets in, which demarcates the boundary between sub and supercritical values of the charge. In the subcritical regime, for certain values of the system parameters, the allowed boundary conditions in gapped graphene cone can be classified in terms of a single real parameter. We show that the observables such as local density of states, scattering phase shifts and the bound state spectra are sensitive to the value of this real parameter, which is interesting from an empirical point of view. For a supercritical Coulomb charge, we analyze the system with a regularized potential as well as with a zigzag boundary condition and find the effect of the sample topology on the observable features of the system.

  8. Dynamic electrochemical impedance spectroscopy reconstructed from continuous impedance measurement of single frequency during charging/discharging

    Science.gov (United States)

    Huang, Jun; Li, Zhe; Zhang, Jianbo

    2015-01-01

    In this study, a novel implementation of dynamic electrochemical impedance spectroscopy (DEIS) is proposed. The method first measures the impedance continuously at a single frequency during one charging/discharging cycle, then repeats the measurement at a number of other selected frequencies. The impedance spectrum at a specific SOC is obtained by interpolating and collecting the impedance at all of the selected frequencies. The charge transfer resistance, Rct, from the DEIS is smaller than that from the steady EIS in a wide state-of-charge (SOC) range from 0.4 to 1.0, the Rct during charging is generally smaller than that during discharging for the battery chemistry used in this study.

  9. Structure and dynamics of a dizinc metalloprotein: effect of charge transfer and polarization.

    Science.gov (United States)

    Li, Yong L; Mei, Ye; Zhang, Da W; Xie, Dai Q; Zhang, John Z H

    2011-08-25

    Structures and dynamics of a recently designed dizinc metalloprotein (DFsc) (J. Mol. Biol. 2003, 334, 1101) are studied by molecular dynamics simulation using a dynamically adapted polarized force field derived from fragment quantum calculation for protein in solvent. To properly describe the effect of charge transfer and polarization in the present approach, quantum chemistry calculation of the zinc-binding group is periodically performed (on-the-fly) to update the atomic charges of the zinc-binding group during the MD simulation. Comparison of the present result with those obtained from simulations under standard AMBER force field reveals that charge transfer and polarization are critical to maintaining the correct asymmetric metal coordination in the DFsc. Detailed analysis of the result also shows that dynamic fluctuation of the zinc-binding group facilitates solvent interaction with the zinc ions. In particular, the dynamic fluctuation of the zinc-zinc distance is shown to be an important feature of the catalytic function of the di-ion zinc-binding group. Our study demonstrates that the dynamically adapted polarization approach is computationally practical and can be used to study other metalloprotein systems.

  10. Paramagnetic Attraction of Impurity-Helium Solids

    Science.gov (United States)

    Bernard, E. P.; Boltnev, R. E.; Khmelenko, V. V.; Lee, D. M.

    2003-01-01

    Impurity-helium solids are formed when a mixture of impurity and helium gases enters a volume of superfluid helium. Typical choices of impurity gas are hydrogen deuteride, deuterium, nitrogen, neon and argon, or a mixture of these. These solids consist of individual impurity atoms and molecules as well as clusters of impurity atoms and molecules covered with layers of solidified helium. The clusters have an imperfect crystalline structure and diameters ranging up to 90 angstroms, depending somewhat on the choice of impurity. Immediately following formation the clusters aggregate into loosely connected porous solids that are submerged in and completely permeated by the liquid helium. Im-He solids are extremely effective at stabilizing high concentrations of free radicals, which can be introduced by applying a high power RF dis- charge to the impurity gas mixture just before it strikes the super fluid helium. Average concentrations of 10(exp 19) nitrogen atoms/cc and 5 x 10(exp 18) deuterium atoms/cc can be achieved this way. It shows a typical sample formed from a mixture of atomic and molecular hydrogen and deuterium. It shows typical sample formed from atomic and molecular nitrogen. Much of the stability of Im-He solids is attributed to their very large surface area to volume ratio and their permeation by super fluid helium. Heat resulting from a chance meeting and recombination of free radicals is quickly dissipated by the super fluid helium instead of thermally promoting the diffusion of other nearby free radicals.

  11. Photodissociation dynamics of the iodine-arene charge-transfer complex

    NARCIS (Netherlands)

    Lenderink, Egbert; Duppen, Koos; Everdij, Frank P.X.; Mavri, Janez; Torre, Renato; Wiersma, Douwe A.

    1996-01-01

    The photodissociation reaction of the molecular iodine:arene charge-transfer (CT) complex into an iodine atom and an iodine atom-arene fragment has been investigated using femtosecond pump-probe, resonance Raman, and molecular dynamics simulations. In the condensed phase the reaction proceeds on a t

  12. Dynamic Image Forces Near a Metal Surface and the Point-Charge Motion

    Science.gov (United States)

    Gabovich, A. M.; Voitenko, A. I.

    2012-01-01

    The problem of charge motion governed by image force attraction near a plane metal surface is considered and solved self-consistently. The temporal dispersion of metal dielectric permittivity makes the image forces dynamic and, hence, finite, contrary to the results of the conventional approach. Therefore, the maximal attainable velocity turns out…

  13. The dynamic response of a fungal lipase in the presence of charged surfactants

    DEFF Research Database (Denmark)

    Peters, Günther H.J.

    2002-01-01

    Lipases are efficient catalysts for lipolytic reactions and require a lipid interface for optimal activity. To study the effect of small charged lipid aggregates on the behavior of these enzymes, we have performed molecular dynamics simulations on five different systems. The simulations carried o...

  14. Probing charge transfer and hot carrier dynamics in organic solar cells with terahertz spectroscopy

    Science.gov (United States)

    Cunningham, Paul D.; Lane, Paul A.; Melinger, Joseph S.; Esenturk, Okan; Heilweil, Edwin J.

    2016-04-01

    Time-resolved terahertz spectroscopy (TRTS) was used to explore charge generation, transfer, and the role of hot carriers in organic solar cell materials. Two model molecular photovoltaic systems were investigated: with zinc phthalocyanine (ZnPc) or alpha-sexathiophene (α-6T) as the electron donors and buckminsterfullerene (C60) as the electron acceptor. TRTS provides charge carrier conductivity dynamics comprised of changes in both population and mobility. By using time-resolved optical spectroscopy in conjunction with TRTS, these two contributions can be disentangled. The sub-picosecond photo-induced conductivity decay dynamics of C60 were revealed to be caused by auto-ionization: the intrinsic process by which charge is generated in molecular solids. In donor-acceptor blends, the long-lived photo-induced conductivity is used for weight fraction optimization of the constituents. In nanoscale multilayer films, the photo-induced conductivity identifies optimal layer thicknesses. In films of ZnPc/C60, electron transfer from ZnPc yields hot charges that localize and become less mobile as they thermalize. Excitation of high-lying Franck Condon states in C60 followed by hole-transfer to ZnPc similarly produces hot charge carriers that self-localize; charge transfer clearly precedes carrier cooling. This picture is contrasted to charge transfer in α-6T/C60, where hole transfer takes place from a thermalized state and produces equilibrium carriers that do not show characteristic signs of cooling and self-localization. These results illustrate the value of terahertz spectroscopic methods for probing charge transfer reactions.

  15. Thermodynamic, Structural and Transport Properties of Lennard-Jones Liquid Systems. A Molecular Dynamics Simulations of Liquid Helium, Neon, Methane and Nitrogen

    Directory of Open Access Journals (Sweden)

    F. Ould Kadour

    2003-12-01

    Full Text Available Abstract: Molecular dynamics calculations are carried out in order to find the properties of Lennard Jones liquids in different state points of their phase diagram. The spherical shape and the stability of the helium, neon, methane and nitrogen make the liquids easily accessible to numerical simulation. Thermodynamic, structural, and transport properties are studied and compared with both experimental data and recent theoretical investigations. In the present work, up to 22 state points are covered, some of which are near or at the triple point. It will be shown that the classical approach leads to data that are in very good agreement with experiments and other types of calculations. At high temperatures and low densities, we observe a decrease in the uncertainties in the stress autocorrelation function by increasing the number of iterations.

  16. Charge transport and recombination dynamics in organic bulk heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Baumann, Andreas

    2011-08-02

    The charge transport in disordered organic bulk heterojunction (BHJ) solar cells is a crucial process affecting the power conversion efficiency (PCE) of the solar cell. With the need of synthesizing new materials for improving the power conversion efficiency of those cells it is important to study not only the photophysical but also the electrical properties of the new material classes. Thereby, the experimental techniques need to be applicable to operating solar cells. In this work, the conventional methods of transient photoconductivity (also known as ''Time-of-Flight'' (TOF)), as well as the transient charge extraction technique of ''Charge Carrier Extraction by Linearly Increasing Voltage'' (CELIV) are performed on different organic blend compositions. Especially with the latter it is feasible to study the dynamics - i.e. charge transport and charge carrier recombination - in bulk heterojunction (BHJ) solar cells with active layer thicknesses of 100-200 nm. For a well performing organic BHJ solar cells the morphology is the most crucial parameter finding a trade-off between an efficient photogeneration of charge carriers and the transport of the latter to the electrodes. Besides the morphology, the nature of energetic disorder of the active material blend and its influence on the dynamics are discussed extensively in this work. Thereby, the material system of poly(3-hexylthiophene-2,5-diyl) (P3HT) and [6,6]-phenyl-C{sub 61}butyric acid methyl ester (PC{sub 61}BM) serves mainly as a reference material system. New promising donor or acceptor materials and their potential for application in organic photovoltaics are studied in view of charge dynamics and compared with the reference system. With the need for commercialization of organic solar cells the question of the impact of environmental conditions on the PCE of the solar cells raises. In this work, organic BHJ solar cells exposed to synthetic air for finite duration are

  17. Metal-Particle-Decorated ZnO Nanocrystals: Photocatalysis and Charge Dynamics.

    Science.gov (United States)

    Lin, Wei-Hao; Chiu, Yi-Hsuan; Shao, Pao-Wen; Hsu, Yung-Jung

    2016-12-07

    Understanding of charge transfer processes is determinant to the performance optimization for semiconductor photocatalysts. As a representative model of composite photocatalysts, metal-particle-decorated ZnO has been widely employed for a great deal of photocatalytic applications; however, the dependence of charge carrier dynamics on the metal content and metal composition and their correlation with the photocatalytic properties have seldom been reported. Here, the interfacial charge dynamics for metal-decorated ZnO nanocrystals were investigated and their correspondence with the photocatalytic properties was evaluated. The samples were prepared with a delicate antisolvent approach, in which ZnO nanocrystals were grown along with metal particle decoration in a deep eutectic solvent. By modulating the experimental conditions, the metal content (from 0.6 to 2.3 at%) and metal composition (including Ag, Au, and Pd) in the resulting metal-decorated ZnO could be readily controlled. Time-resolved photoluminescence spectra showed that an optimal Au content of 1.3 at% could effectuate the largest electron transfer rate constant for Au-decorated ZnO nanocrystals, in conformity with the highest photocatalytic efficiency observed. The relevance of charge carrier dynamics to the metal composition was also inspected and realized in terms of the energy level difference between ZnO and metal. Among the three metal-decorated ZnO samples tested, ZnO-Pd displayed the highest photocatalytic activity, fundamentally according with the largest electron transfer rate constant deduced in carrier dynamics measurements. The current work was the first study to present the correlations among charge carrier dynamics, metal content, metal composition, and the resultant photocatalytic properties for semiconductor/metal heterostructures. The findings not only helped to resolve the standing issues regarding the mechanistic foundation of photocatalysis but also shed light on the intelligent design

  18. The thermal-wave model: A Schroedinger-like equation for charged particle beam dynamics

    Science.gov (United States)

    Fedele, Renato; Miele, G.

    1994-01-01

    We review some results on longitudinal beam dynamics obtained in the framework of the Thermal Wave Model (TWM). In this model, which has recently shown the capability to describe both longitudinal and transverse dynamics of charged particle beams, the beam dynamics is ruled by Schroedinger-like equations for the beam wave functions, whose squared modulus is proportional to the beam density profile. Remarkably, the role of the Planck constant is played by a diffractive constant epsilon, the emittance, which has a thermal nature.

  19. The impact of Au doping on the charge carrier dynamics at the interfaces between cationic porphyrin and silver nanoclusters

    KAUST Repository

    Almansaf, Abdulkhaleq A.

    2017-02-04

    We explore the impact of Au doping on the charge transfer dynamics between the positively charged porphyrin (TMPyP) and negatively charged silver nanoclusters (Ag29 NCs). Our transient absorption (TA) spectroscopic results demonstrate that the interfacial charge transfer, the intersystem crossing and the triplet state lifetime of porphyrin can be tuned by the doping of Au atoms in Ag29 NCs. Additionally, we found that the electrostatic interaction between the negative charge of the cluster and the positive charge on the TMPyP is the driving force that brings them close to each other for complex formation and subsequently facilitates the transfer process.

  20. Quantized Hamiltonian dynamics captures the low-temperature regime of charge transport in molecular crystals.

    Science.gov (United States)

    Wang, Linjun; Akimov, Alexey V; Chen, Liping; Prezhdo, Oleg V

    2013-11-07

    The quantized Hamiltonian dynamics (QHD) theory provides a hierarchy of approximations to quantum dynamics in the Heisenberg representation. We apply the first-order QHD to study charge transport in molecular crystals and find that the obtained equations of motion coincide with the Ehrenfest theory, which is the most widely used mixed quantum-classical approach. Quantum initial conditions required for the QHD variables make the dynamics surpass Ehrenfest. Most importantly, the first-order QHD already captures the low-temperature regime of charge transport, as observed experimentally. We expect that simple extensions to higher-order QHDs can efficiently represent other quantum effects, such as phonon zero-point energy and loss of coherence in the electronic subsystem caused by phonons.

  1. Charge transport through biomolecular wires in a solvent: bridging molecular dynamics and model Hamiltonian approaches.

    Science.gov (United States)

    Gutiérrez, R; Caetano, R A; Woiczikowski, B P; Kubar, T; Elstner, M; Cuniberti, G

    2009-05-22

    We present a hybrid method based on a combination of classical molecular dynamics simulations, quantum-chemical calculations, and a model Hamiltonian approach to describe charge transport through biomolecular wires with variable lengths in presence of a solvent. The core of our approach consists in a mapping of the biomolecular electronic structure, as obtained from density-functional based tight-binding calculations of molecular structures along molecular dynamics trajectories, onto a low-dimensional model Hamiltonian including the coupling to a dissipative bosonic environment. The latter encodes fluctuation effects arising from the solvent and from the molecular conformational dynamics. We apply this approach to the case of pG-pC and pA-pT DNA oligomers as paradigmatic cases and show that the DNA conformational fluctuations are essential in determining and supporting charge transport.

  2. Magnetic stochasticity in magnetically confined fusion plasmas chaos of field lines and charged particle dynamics

    CERN Document Server

    Abdullaev, Sadrilla

    2014-01-01

    This is the first book to systematically consider the modern aspects of chaotic dynamics of magnetic field lines and charged particles in magnetically confined fusion plasmas.  The analytical models describing the generic features of equilibrium magnetic fields and  magnetic perturbations in modern fusion devices are presented. It describes mathematical and physical aspects of onset of chaos, generic properties of the structure of stochastic magnetic fields, transport of charged particles in tokamaks induced by magnetic perturbations, new aspects of particle turbulent transport, etc. The presentation is based on the classical and new unique mathematical tools of Hamiltonian dynamics, like the action--angle formalism, classical perturbation theory, canonical transformations of variables, symplectic mappings, the Poincaré-Melnikov integrals. They are extensively used for analytical studies as well as for numerical simulations of magnetic field lines, particle dynamics, their spatial structures and  statisti...

  3. Characteristics of dynamic contact-angle in presence of surface-charge

    CERN Document Server

    Acharya, Palash V; Chakraborty, Suman

    2015-01-01

    We account for the presence of surface charges towards describing variations in the dynamic contact angle of an advancing liquid-gas meniscus. Starting from the thin-film based formalism, we present closed-form analytical expressions relating the dynamic contact-angle with the capillary number (essentially normalized contact-line speed) and other interfacial parameters. Specifically, our analysis presents, within the realm of hydrodynamic paradigm, a connection between the micro- and macro-scale physics at the vicinity of the contact-line region, taking the combined confluence of viscous and capillary forces along with van der Waals and electrostatic interactions. This connection rationalizes the hitherto reported anomalous window of the magnitude of the microscopic length scales required to corroborate experimental data for ionic liquids. Moreover, our analysis shows the possibility of a transition from strong to weak influence of surface charge in a dynamic fashion with contact-line speed along with other e...

  4. Catching proteins in liquid helium droplets

    CERN Document Server

    Kupser, Peter; Meijer, Gerard; von Helden, Gert

    2010-01-01

    An experimental approach is presented that allows for the incorporation of large mass/charge selected ions in liquid helium droplets. It is demonstrated that droplets can be efficiently doped with a mass/charge selected amino acid as well as with the much bigger m$\\approx$12 000 amu protein Cytochrome C in selected charge states. The sizes of the ion-doped droplets are determined via electrostatic deflection. Under the experimental conditions employed, the observed droplet sizes are very large and range, dependent on the incorporated ion, from 10$^{10}$ helium atoms for protonated Phenylalanine to 10$^{12}$ helium atoms for Cytochrome C. As a possible explanation, a simple model based on the size- and internal energy-dependence of the pickup efficiency is given.

  5. Sub-diffusion and trapped dynamics of neutral and charged probes in DNA-protein coacervates

    Directory of Open Access Journals (Sweden)

    Najmul Arfin

    2013-11-01

    Full Text Available The physical mechanism leading to the formation of large intermolecular DNA-protein complexes has been studied. Our study aims to explain the occurrence of fast coacervation dynamics at the charge neutralization point, followed by the appearance of smaller complexes and slower coacervation dynamics as the complex experiences overcharging. Furthermore, the electrostatic potential and probe mobility was investigated to mimic the transport of DNA / DNA-protein complex in a DNA-protein complex coacervate medium [N. Arfin and H. B. Bohidar, J. Phys. Chem. B 116, 13192 (2012] by assigning neutral, negative, or positive charge to the probe particle. The mobility of the neutral probe was maximal at low matrix concentrations and showed random walk behavior, while its mobility ceased at the jamming concentration of c = 0.6, showing sub-diffusion and trapped dynamics. The positively charged probe showed sub-diffusive random walk followed by trapped dynamics, while the negatively charged probe showed trapping with occasional hopping dynamics at much lower concentrations. Sub-diffusion of the probe was observed in all cases under consideration, where the electrostatic interaction was used exclusively as the dominant force involved in the dynamics. For neutral and positive probes, the mean square displacement ⟨R2⟩ exhibits a scaling with time as ⟨R2⟩ ∼ tα, distinguishing random walk and trapped dynamics at α = 0.64 ± 0.04 at c = 0.12 and c = 0.6, respectively. In addition, the same scaling factors with the exponent β = 0.64 ± 0.04 can be used to distinguish random walk and trapped dynamics for the neutral and positive probes using the relation between the number of distinct sites visited by the probe, S(t, which follows the scaling, S(t ∼ tβ/ln (t. Our results established the occurrence of a hierarchy of diffusion dynamics experienced by a probe in a dense medium that is either charged or neutral.

  6. Sub-diffusion and trapped dynamics of neutral and charged probes in DNA-protein coacervates

    Science.gov (United States)

    Arfin, Najmul; Yadav, Avinash Chand; Bohidar, H. B.

    2013-11-01

    The physical mechanism leading to the formation of large intermolecular DNA-protein complexes has been studied. Our study aims to explain the occurrence of fast coacervation dynamics at the charge neutralization point, followed by the appearance of smaller complexes and slower coacervation dynamics as the complex experiences overcharging. Furthermore, the electrostatic potential and probe mobility was investigated to mimic the transport of DNA / DNA-protein complex in a DNA-protein complex coacervate medium [N. Arfin and H. B. Bohidar, J. Phys. Chem. B 116, 13192 (2012)] by assigning neutral, negative, or positive charge to the probe particle. The mobility of the neutral probe was maximal at low matrix concentrations and showed random walk behavior, while its mobility ceased at the jamming concentration of c = 0.6, showing sub-diffusion and trapped dynamics. The positively charged probe showed sub-diffusive random walk followed by trapped dynamics, while the negatively charged probe showed trapping with occasional hopping dynamics at much lower concentrations. Sub-diffusion of the probe was observed in all cases under consideration, where the electrostatic interaction was used exclusively as the dominant force involved in the dynamics. For neutral and positive probes, the mean square displacement ⟨R2⟩ exhibits a scaling with time as ⟨R2⟩ ˜ tα, distinguishing random walk and trapped dynamics at α = 0.64 ± 0.04 at c = 0.12 and c = 0.6, respectively. In addition, the same scaling factors with the exponent β = 0.64 ± 0.04 can be used to distinguish random walk and trapped dynamics for the neutral and positive probes using the relation between the number of distinct sites visited by the probe, S(t), which follows the scaling, S(t) ˜ tβ/ln (t). Our results established the occurrence of a hierarchy of diffusion dynamics experienced by a probe in a dense medium that is either charged or neutral.

  7. Sub-diffusion and trapped dynamics of neutral and charged probes in DNA-protein coacervates

    Energy Technology Data Exchange (ETDEWEB)

    Arfin, Najmul [Polymer and Biophysics Laboratory, School of Physical Sciences, Jawaharlal Nehru University, New Delhi-110067 (India); Yadav, Avinash Chand [Nonlinear Dynamics Laboratory, School of Physical Sciences, Jawaharlal Nehru University, New Delhi-110067 (India); Bohidar, H. B., E-mail: bohi0700@mail.jnu.ac.in [Polymer and Biophysics Laboratory, School of Physical Sciences, Jawaharlal Nehru University, New Delhi-110067 (India); Special Centre for Nanosciences, Jawaharlal Nehru University, New Delhi-110067 (India)

    2013-11-15

    The physical mechanism leading to the formation of large intermolecular DNA-protein complexes has been studied. Our study aims to explain the occurrence of fast coacervation dynamics at the charge neutralization point, followed by the appearance of smaller complexes and slower coacervation dynamics as the complex experiences overcharging. Furthermore, the electrostatic potential and probe mobility was investigated to mimic the transport of DNA / DNA-protein complex in a DNA-protein complex coacervate medium [N. Arfin and H. B. Bohidar, J. Phys. Chem. B 116, 13192 (2012)] by assigning neutral, negative, or positive charge to the probe particle. The mobility of the neutral probe was maximal at low matrix concentrations and showed random walk behavior, while its mobility ceased at the jamming concentration of c = 0.6, showing sub-diffusion and trapped dynamics. The positively charged probe showed sub-diffusive random walk followed by trapped dynamics, while the negatively charged probe showed trapping with occasional hopping dynamics at much lower concentrations. Sub-diffusion of the probe was observed in all cases under consideration, where the electrostatic interaction was used exclusively as the dominant force involved in the dynamics. For neutral and positive probes, the mean square displacement 〈R{sup 2}〉 exhibits a scaling with time as 〈R{sup 2}〉 ∼ t{sup α}, distinguishing random walk and trapped dynamics at α = 0.64 ± 0.04 at c = 0.12 and c = 0.6, respectively. In addition, the same scaling factors with the exponent β = 0.64 ± 0.04 can be used to distinguish random walk and trapped dynamics for the neutral and positive probes using the relation between the number of distinct sites visited by the probe, S(t), which follows the scaling, S(t) ∼ t{sup β}/ln (t). Our results established the occurrence of a hierarchy of diffusion dynamics experienced by a probe in a dense medium that is either charged or neutral.

  8. Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

    Science.gov (United States)

    Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; Mundy, Chistopher J.

    2017-10-01

    Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. Here, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.

  9. Black hole Area-Angular momentum-Charge inequality in dynamical non-vacuum spacetimes

    CERN Document Server

    Clément, María E Gabach

    2011-01-01

    We show that the area-angular momentum-charge inequality (A/(4\\pi))^2 \\geq (2J)^2 + (Q_E^2 + Q_M^2)^2 holds for apparent horizons of electrically and magnetically charged rotating black holes in generic dynamical and non-vacuum spacetimes. More specifically, this quasi-local inequality applies to axially symmetric closed outermost stably marginally (outer) trapped surfaces, embedded in non-necessarily axisymmetric black hole spacetimes with non-negative cosmological constant and matter content satisfying the dominant energy condition.

  10. Femtosecond spectroscopy on alkali-doped helium nanodroplets; Femtosekundenspektroskopie an alkalidotierten Helium-Nanotroepfchen

    Energy Technology Data Exchange (ETDEWEB)

    Claas, P.

    2006-01-15

    In the present thesis first studies on the short-time dynamics in alkali dimers and microclusters, which were bound on the surface of superfluid helium droplets, were presented. The experiments comprehended pump-probe measurements on the fs scale on the vibration dynamics on the dimers and on the fragmentation dynamics on the clusters. Generally by the studies it was shown that such extremely short slopes can also be observed on helium droplets by means of the femtosecond spectroscopy.

  11. A stochastic model for the semiclassical collective dynamics of charged beams in particle accelerators

    CERN Document Server

    De Martino, S; Illuminati, F; Martino, Salvatore De; Siena, Silvio De; Illuminati, Fabrizio

    1999-01-01

    A recent proposal (see quant-ph/9803068) to simulate semiclassical corrections to classical dynamics by suitable classical stochastic fluctuations is applied to the specific instance of charged beam dynamics in particle accelerators. The resulting picture is that the collective beam dynamics, at the leading semiclassical order in Planck constant can be described by a particular diffusion process, the Nelson process, which is time-reversal invariant. Its diffusion coefficient $\\sqrt{N}\\lambda_{c}$ represents a semiclassical unit of emittance (here $N$ is the number of particles in the beam, and $\\lambda_{c}$ is the Compton wavelength). The stochastic dynamics of the Nelson type can be easily recast in the form of a Schroedinger equation, with the semiclassical unit of emittance replacing Planck constant. Therefore we provide a physical foundation to the several quantum-like models of beam dynamics proposed in recent years. We also briefly touch upon applications of the Nelson and Schroedinger formalisms to inc...

  12. Charge-carrier dynamics in hybrid metal halide perovskites (Conference Presentation)

    Science.gov (United States)

    Milot, Rebecca L.; Rehman, Waqaas; Eperon, Giles E.; Snaith, Henry J.; Johnston, Michael B.; Herz, Laura M.

    2016-09-01

    Hybrid metal halide perovskites are attractive components for many optoelectronic applications due to a combination of their superior charge transport properties and relative ease of fabrication. A complete understanding of the nature of charge transport in these materials is therefore essential for current and future device development. We have evaluated two systems - the standard perovskite methylammonium lead triiodide (CH3NH3PbI3) and a series of mixed-iodide/bromide formamidinium lead perovskites - in an effort to determine what effect structural and chemical composition have on optoelectronic properties including mobility, charge-carrier recombination dynamics, and charge-carrier diffusion length. The photoconductivity in thin films of CH3NH3PbI3was investigated from 8 K to 370 K across three structural phases [1]. While the monomolecular charge-carrier recombination rate was found to increase with rising temperature indicating a mechanism dominated by ionized impurity mediated recombination, the bimolecular rate constant decreased with rising temperature as charge-carrier mobility declined. The Auger rate constant was highly phase specific, suggesting a strong dependence on electronic band structure. For the mixed-halide formamidinuim lead bromide-iodide perovskites, HC(NH2)2Pb(BryI1-y)3, bimolecular and Auger charge-carrier recombination rate constants strongly correlated with bromide content, which indicated a link with electronic structure [2]. Although HC(NH2)2PbBr3 and HC(NH2)2PbI3 exhibited high charge-carrier mobilities and diffusion lengths exceeding 1 μm, mobilities for mixed Br/I perovskites were all lower as a result of crystalline phase disorder.

  13. Electrostatics in dissipative particle dynamics using Ewald sums with point charges

    Science.gov (United States)

    Terrón-Mejía, Ketzasmin A.; López-Rendón, Roberto; Gama Goicochea, Armando

    2016-10-01

    A proper treatment of electrostatic interactions is crucial for the accurate calculation of forces in computer simulations. Electrostatic interactions are typically modeled using Ewald-based methods, which have become some of the cornerstones upon which many other methods for the numerical computation of electrostatic interactions are based. However, their use with charge distributions rather than point charges requires the inclusion of ansatz for the solutions of the Poisson equation, since there is no exact solution known for smeared out charges. The interest in incorporating electrostatic interactions at the scales of length and time that are relevant for the study the physics of soft condensed matter has increased considerably. Using mesoscale simulation techniques, such as dissipative particle dynamics (DPD), allows us to reach longer time scales in numerical simulations, without abandoning the particulate description of the problem. The main problem with incorporating electrostatics into DPD simulations is that DPD particles are soft and those particles with opposite charge can form artificial clusters of ions. Here we show that one can incorporate the electrostatic interactions through Ewald sums with point charges in DPD if larger values of coarse-graining degree are used, where DPD is truly mesoscopic. Using point charges with larger excluded volume interactions, the artificial formation of ionic pairs with point charges can be avoided and one obtains correct predictions. We establish ranges of parameters useful for detecting boundaries where artificial formation of ionic pairs occurs. Lastly, using point charges we predict the scaling properties of polyelectrolytes in solvents of varying quality, and obtain predictions that are in agreement with calculations that use other methods and with recent experimental results.

  14. Structure and dynamics of Ni2+ in liquid ammonia: A quantum mechanical charge field molecular dynamics (QMCF-MD) study

    Science.gov (United States)

    Saleh, Muhammad; Hofer, Thomas S.

    2016-09-01

    An investigation of structural and dynamical properties of Ni2+ in liquid ammonia has been carried out via Quantum Mechanical Charge Field Molecular Dynamics. By extending the quantum mechanical region to include first and second solvation shell, a more realistic representation of the system was achieved yielding improved results on present computational facilities. The structural results obtained from the 16 ps trajectory agree well with experimental investigations for various nitrogen-containing Ni2+ systems. Detailed analysis of mean residence time and vibrational properties highlights a rather flexible structure of the first and second shells compared to Ni2+ in aqueous solution.

  15. Solving the Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem by Dynamic Programming

    DEFF Research Database (Denmark)

    Rauff Lind Christensen, Tue; Klose, Andreas; Andersen, Kim Allan

    are neglected in the SSFCTP. The SSFCMCTP overcome this problem by incorporating a staircase cost structure in the cost function instead of the usual one used in SSFCTP. We present a dynamic programming algorithm for the resulting problem. To enhance the performance of the generic algorithm a number......The Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem (SSFCMCTP) is a problem with versatile applications. This problem is a generalization of the Single-Sink, Fixed-Charge Transportation Problem (SSFCTP), which has a fixed-charge, linear cost structure. However, in at least two...... of enhancements is employed. The problem instance is reduced by variable pegging using a Lagrangean relaxation from which also a flow augmentation scheme is derived. Additionally a reduction in the search space is employed along with a variable transformation which generalizes a transformation known from...

  16. Dynamic measurement of the helium concentration of evolving tungsten nanostructures using Elastic Recoil Detection during plasma exposure

    Science.gov (United States)

    Woller, K. B.; Whyte, D. G.; Wright, G. M.

    2015-08-01

    Helium (He) concentration depth profiles of evolving tungsten (W) nanostructures have been measured for the first time using in situ Elastic Recoil Detection (ERD) throughout plasma irradiation. Exposures resulting in fuzzy and non-fuzzy surfaces were analyzed in order to illuminate the role of He during the development of these surface morphologies. ERD was performed on samples with surface temperatures from Ts = 530-1100 K and irradiated by He flux densities of ΓHe ∼ 1020-1022 m-2 s-1. He concentration profiles in samples that developed either non-fuzzy or fuzzy surfaces are uniformly shaped with concentrations of 1.5-7 at.%, which is presumed to be too low for pressure driven growth models. Therefore, surface morphology changes are not perpetuated by continuous bubble bursting deformation. Also, a threshold in He flux density above 1020 m-2 s-1 is suggested by using in situ ERD to monitor the depth profile evolution of the He-rich layer while changing the flux during exposure.

  17. On the dynamics of charging in nanoporous carbon-based supercapacitors.

    Science.gov (United States)

    Péan, Clarisse; Merlet, Céline; Rotenberg, Benjamin; Madden, Paul Anthony; Taberna, Pierre-Louis; Daffos, Barbara; Salanne, Mathieu; Simon, Patrice

    2014-02-25

    Supercapacitors are electricity storage systems with high power performances. Their short charge/discharge times are due to fast adsorption/desorption rates for the ions of the electrolyte on the electrode surface. Nanoporous carbon electrodes, which give larger capacitances than simpler geometries, might be expected to show poorer power performances because of the longer times taken by the ions to access the electrode interior. Experiments do not show such trends, however, and this remains to be explained at the molecular scale. Here we show that carbide-derived carbons exhibit heterogeneous and fast charging dynamics. We perform molecular dynamics simulations, with realistically modeled nanoporous electrodes and an ionic liquid electrolyte, in which the system, originally at equilibrium in the uncharged state, is suddenly perturbed by the application of an electric potential difference between the electrodes. The electrodes respond by charging progressively from the interface to the bulk as ions are exchanged between the nanopores and the electrolyte region. The simulation results are then injected into an equivalent circuit model, which allows us to calculate charging times for macroscopic-scale devices.

  18. Non-Gaussian signatures and collective effects in charge noise affecting a dynamically decoupled qubit

    Science.gov (United States)

    Ramon, Guy

    2015-10-01

    The effects of a collection of classical two-level charge fluctuators on the coherence of a dynamically decoupled qubit are studied. Distinct dynamics is found at different qubit working positions. Exact analytical formulas are derived at pure dephasing and approximate solutions are found at the general working position, for weakly and strongly coupled fluctuators. Analysis of these solutions, combined with numerical simulations of the multiple random telegraph processes, reveal the scaling of the noise with the number of fluctuators and the number of control pulses, as well as dependence on other parameters of the qubit-fluctuators system. These results can be used to determine potential microscopic models for the charge environment by performing noise spectroscopy.

  19. Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zanni, Martin Thomas [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents.

  20. Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective

    Science.gov (United States)

    Pilania, G.; Gubernatis, J. E.; Lookman, T.

    2015-12-01

    The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal structures) and six-fold (rocksalt crystal structure) coordinated systems is discussed. We show that the difference in the dynamical charges of the fourfold and sixfold coordinated structures, in combination with Harrison’s polarity, serves as an excellent feature to classify the coordination of 82 sp-bonded binary octet compounds. We use a support vector machine classifier to estimate the average classification accuracy and the associated variance in our model where a decision boundary is learned in a supervised manner. Finally, we compare the out-of-sample classification accuracy achieved by our feature pair with those reported previously.

  1. Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zanni, Martin T.

    1999-12-17

    This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents.

  2. Conversion of Dynamic High Pressures from Air to Water for a Spherical TNT Charge

    Directory of Open Access Journals (Sweden)

    A. K. Sharma

    1996-01-01

    Full Text Available A numerical method has been applied to convert the dynamic high pressures from air-to-water for a spherical TNT charge. Standard equation of scaling law in air for TNT has been utilised to make the necessary conversions. The investigations have been made by taking into consideration the ambient pressure values for the two media. The calculations have been performed under the scaled distances to get better results. Experimental measurements using indigenous blast pressure gauge have been undertaken by detonating spherical charges of TNT under the same scaled distances in water to check the correctness of results and direct application of this method. A fairly close agreement between the theoretically computed and the experimental values of the dynamic high pressures shows the practical utility of this approach in that it enables an estimate of the experimental shock wave pressures, without conducting underwater experiments.

  3. Non-Linearity in Wide Dynamic Range CMOS Image Sensors Utilizing a Partial Charge Transfer Technique

    Directory of Open Access Journals (Sweden)

    Izhal Abdul Halin

    2009-11-01

    Full Text Available The partial charge transfer technique can expand the dynamic range of a CMOS image sensor by synthesizing two types of signal, namely the long and short accumulation time signals. However the short accumulation time signal obtained from partial transfer operation suffers of non-linearity with respect to the incident light. In this paper, an analysis of the non-linearity in partial charge transfer technique has been carried, and the relationship between dynamic range and the non-linearity is studied. The results show that the non-linearity is caused by two factors, namely the current diffusion, which has an exponential relation with the potential barrier, and the initial condition of photodiodes in which it shows that the error in the high illumination region increases as the ratio of the long to the short accumulation time raises. Moreover, the increment of the saturation level of photodiodes also increases the error in the high illumination region.

  4. Non-Linearity in Wide Dynamic Range CMOS Image Sensors Utilizing a Partial Charge Transfer Technique

    Science.gov (United States)

    Shafie, Suhaidi; Kawahito, Shoji; Halin, Izhal Abdul; Hasan, Wan Zuha Wan

    2009-01-01

    The partial charge transfer technique can expand the dynamic range of a CMOS image sensor by synthesizing two types of signal, namely the long and short accumulation time signals. However the short accumulation time signal obtained from partial transfer operation suffers of non-linearity with respect to the incident light. In this paper, an analysis of the non-linearity in partial charge transfer technique has been carried, and the relationship between dynamic range and the non-linearity is studied. The results show that the non-linearity is caused by two factors, namely the current diffusion, which has an exponential relation with the potential barrier, and the initial condition of photodiodes in which it shows that the error in the high illumination region increases as the ratio of the long to the short accumulation time raises. Moreover, the increment of the saturation level of photodiodes also increases the error in the high illumination region. PMID:22303133

  5. The interaction between electrolyte and surfaces decorated with charged groups: A molecular dynamics simulation study.

    Science.gov (United States)

    Calero, Carles; Faraudo, Jordi

    2010-01-14

    In this paper, we perform molecular dynamics simulations of an interface containing charged functional groups of different valences in contact with 2:1 ionic solution. We take into account both the finite sizes of the ions in solution and the functional groups but we neglect the structural details of the solvent (primitive model). We show that the distribution of ions and the electrostatic properties of the system depend strongly on the valence of the interfacial charged groups. In the case of surfaces containing well-separated charged interfacial groups, we observe counterion binding at these groups induced by electrostatic interactions. A detailed analysis of the potential of mean force between interfacial charged groups and ions reveals significant features not anticipated by present theories of electrolytes near interfaces. Overall, our results show that, in primitive models of the ion-interface interaction, not only the ionic size and valence are important but the size and valence of the interfacial charged groups also have a significant impact.

  6. Phenomenological model for charge dynamics and optical response of disordered systems: application to organic semiconductors

    OpenAIRE

    Fratini, Simone; Ciuchi, Sergio; Mayou, Didier

    2014-01-01

    We provide a phenomenological formula which describes the low-frequency optical absorption of charge carriers in disordered systems with localization. This allows to extract, from experimental data on the optical conductivity, the relevant microscopic parameters determining the transport properties, such as the carrier localization length and the elastic and inelastic scattering times. This general formula is tested and applied here to organic semiconductors, where dynamical molecular disorde...

  7. Ultrafast interfacial charge transfer dynamics in dye-sensitized and quantum dot solar cell

    Science.gov (United States)

    Ghosh, Hirendra N.

    2013-02-01

    Dye sensitized solar cell (DSSC) appeared to be one of the good discovery for the solution of energy problem. We have been involved in studying ultrafast interfacial electron transfer dynamics in DSSC using femtosecond laser spectroscopy. However it has been realized that it is very difficult to design and develop higher efficient one, due to thermodynamic limitation. Again in DSSC most of the absorbed photon energy is lost as heat within the cell, which apart from decreasing the efficiency also destabilizes the device. It has been realized that quantum dot solar cell (QDSC) are the best bet where the sensitizer dye molecules can be replaced by suitable quantum dot (QD) materials in solar cell. The quantum-confinement effect in semiconductors modifies their electronic structure, which is a very important aspect of these materials. For photovoltaic applications, a long-lived charge separation remains one of the most essential criteria. One of the problems in using QDs for photovoltaic applications is their fast charge recombination caused by nonradiative Auger processes, which occur predominantly at lower particle sizes due to an increase in the Coulomb interaction between electrons and holes. Various approaches, such as the use of metal-semiconductor composites, semiconductor-polymer composite, and semiconductor core-shell heterostructures, have been attempted to minimize the fast recombination between electrons and holes. To make higher efficient solar devices it has been realised that it is very important to understand charge carrier and electron transfer dynamics in QD and QD sensitized semiconductor nanostructured materials. In the present talk, we are going to discuss on recent works on ultrafast electron transfer dynamics in dye-sensitized TiO2 nanoparticles/film [1-12] and charge (electron/hole) transfer dynamics in quantum dot core-shell nano-structured materials [13-17].

  8. High Dynamic Range X-ray Detector Pixel Architectures Utilizing Charge Removal

    CERN Document Server

    Weiss, Joel T; Philipp, Hugh T; Becker, Julian; Chamberlain, Darol; Purohit, Prafull; Tate, Mark W; Gruner, Sol M

    2016-01-01

    Several charge integrating CMOS pixel front-ends utilizing charge removal techniques have been fabricated to extend dynamic range for x-ray diffraction applications at synchrotron sources and x-ray free electron lasers (XFELs). The pixels described herein build on the Mixed Mode Pixel Array Detector (MM-PAD) framework, developed previously by our group to perform high dynamic range imaging. These new pixels boast several orders of magnitude improvement in maximum flux over the MM-PAD, which is capable of measuring a sustained flux in excess of 10$^{8}$ x-rays/pixel/second while maintaining sensitivity to smaller signals, down to single x-rays. To extend dynamic range, charge is removed from the integration node of the front-end amplifier without interrupting integration. The number of times this process occurs is recorded by a digital counter in the pixel. The parameter limiting full well is thereby shifted from the size of an integration capacitor to the depth of a digital counter. The result is similar to t...

  9. Spin-charge coupled dynamics driven by a time-dependent magnetization

    Science.gov (United States)

    Tölle, Sebastian; Eckern, Ulrich; Gorini, Cosimo

    2017-03-01

    The spin-charge coupled dynamics in a thin, magnetized metallic system are investigated. The effective driving force acting on the charge carriers is generated by a dynamical magnetic texture, which can be induced, e.g., by a magnetic material in contact with a normal-metal system. We consider a general inversion-asymmetric substrate/normal-metal/magnet structure, which, by specifying the precise nature of each layer, can mimic various experimentally employed setups. Inversion symmetry breaking gives rise to an effective Rashba spin-orbit interaction. We derive general spin-charge kinetic equations which show that such spin-orbit interaction, together with anisotropic Elliott-Yafet spin relaxation, yields significant corrections to the magnetization-induced dynamics. In particular, we present a consistent treatment of the spin density and spin current contributions to the equations of motion, inter alia, identifying a term in the effective force which appears due to a spin current polarized parallel to the magnetization. This "inverse-spin-filter" contribution depends markedly on the parameter which describes the anisotropy in spin relaxation. To further highlight the physical meaning of the different contributions, the spin-pumping configuration of typical experimental setups is analyzed in detail. In the two-dimensional limit the buildup of dc voltage is dominated by the spin-galvanic (inverse Edelstein) effect. A measuring scheme that could isolate this contribution is discussed.

  10. Modeling light-induced charge transfer dynamics across a metal-molecule-metal junction: bridging classical electrodynamics and quantum dynamics.

    Science.gov (United States)

    Hu, Zixuan; Ratner, Mark A; Seideman, Tamar

    2014-12-14

    We develop a numerical approach for simulating light-induced charge transport dynamics across a metal-molecule-metal conductance junction. The finite-difference time-domain method is used to simulate the plasmonic response of the metal structures. The Huygens subgridding technique, as adapted to Lorentz media, is used to bridge the vastly disparate length scales of the plasmonic metal electrodes and the molecular system, maintaining accuracy. The charge and current densities calculated with classical electrodynamics are transformed to an electronic wavefunction, which is then propagated through the molecular linker via the Heisenberg equations of motion. We focus mainly on development of the theory and exemplify our approach by a numerical illustration of a simple system consisting of two silver cylinders bridged by a three-site molecular linker. The electronic subsystem exhibits fascinating light driven dynamics, wherein the charge density oscillates at the driving optical frequency, exhibiting also the natural system timescales, and a resonance phenomenon leads to strong conductance enhancement.

  11. Revealing the ultrafast charge carrier dynamics in organo metal halide perovskite solar cell materials using time resolved THz spectroscopy.

    Science.gov (United States)

    Ponseca, C S; Sundström, V

    2016-03-28

    Ultrafast charge carrier dynamics in organo metal halide perovskite has been probed using time resolved terahertz (THz) spectroscopy (TRTS). Current literature on its early time characteristics is unanimous: sub-ps charge carrier generation, highly mobile charges and very slow recombination rationalizing the exceptionally high power conversion efficiency for a solution processed solar cell material. Electron injection from MAPbI3 to nanoparticles (NP) of TiO2 is found to be sub-ps while Al2O3 NPs do not alter charge dynamics. Charge transfer to organic electrodes, Spiro-OMeTAD and PCBM, is sub-ps and few hundreds of ps respectively, which is influenced by the alignment of energy bands. It is surmised that minimizing defects/trap states is key in optimizing charge carrier extraction from these materials.

  12. The electro-mechanical effect from charge dynamics on polymeric insulation lifetime

    Directory of Open Access Journals (Sweden)

    H. Alghamdi

    2015-12-01

    Full Text Available For polymeric material used as electrical insulation, the presence of space charges could be the consequence of material degradations that are thermally activated but increased by the application of an electric field. The dynamics of space charge, therefore, can be potentially used to characterize the material. In this direction, a new aging model in which parameters have clear physical meanings has been developed and applied to the material to extrapolate the lifetime. The kinetic equation has been established based on charge trapping and detrapping of the injected charge from the electrodes. The local electromechanical energy stored in the region surrounding the trap is able to reduce the trap-depth with a value related to the electric field. At a level where the internal electric field exceeds the detrapping field in the material, an electron can be efficiently detrapped and the released energy from detrapping process can cause a weak bond or chain scission i.e. material degradation. The model has been applied to the electro-thermally aged low density polyethylene film samples, showing well fitted result, as well as interesting relationships between parameter estimates and insulation morphology.

  13. The electro-mechanical effect from charge dynamics on polymeric insulation lifetime

    Science.gov (United States)

    Alghamdi, H.; Chen, G.; Vaughan, A. S.

    2015-12-01

    For polymeric material used as electrical insulation, the presence of space charges could be the consequence of material degradations that are thermally activated but increased by the application of an electric field. The dynamics of space charge, therefore, can be potentially used to characterize the material. In this direction, a new aging model in which parameters have clear physical meanings has been developed and applied to the material to extrapolate the lifetime. The kinetic equation has been established based on charge trapping and detrapping of the injected charge from the electrodes. The local electromechanical energy stored in the region surrounding the trap is able to reduce the trap-depth with a value related to the electric field. At a level where the internal electric field exceeds the detrapping field in the material, an electron can be efficiently detrapped and the released energy from detrapping process can cause a weak bond or chain scission i.e. material degradation. The model has been applied to the electro-thermally aged low density polyethylene film samples, showing well fitted result, as well as interesting relationships between parameter estimates and insulation morphology.

  14. Charge Dynamics and Spin Blockade in a Hybrid Double Quantum Dot in Silicon

    Directory of Open Access Journals (Sweden)

    Matias Urdampilleta

    2015-08-01

    Full Text Available Electron spin qubits in silicon, whether in quantum dots or in donor atoms, have long been considered attractive qubits for the implementation of a quantum computer because of silicon’s “semiconductor vacuum” character and its compatibility with the microelectronics industry. While donor electron spins in silicon provide extremely long coherence times and access to the nuclear spin via the hyperfine interaction, quantum dots have the complementary advantages of fast electrical operations, tunability, and scalability. Here, we present an approach to a novel hybrid double quantum dot by coupling a donor to a lithographically patterned artificial atom. Using gate-based rf reflectometry, we probe the charge stability of this double quantum-dot system and the variation of quantum capacitance at the interdot charge transition. Using microwave spectroscopy, we find a tunnel coupling of 2.7 GHz and characterize the charge dynamics, which reveals a charge T_{2}^{*} of 200 ps and a relaxation time T_{1} of 100 ns. Additionally, we demonstrate a spin blockade at the inderdot transition, opening up the possibility to operate this coupled system as a singlet-triplet qubit or to transfer a coherent spin state between the quantum dot and the donor electron and nucleus.

  15. Effect of hydrogen on dynamic charge transport in amorphous oxide thin film transistors

    Science.gov (United States)

    Kim, Taeho; Nam, Yunyong; Hur, Ji-Hyun; Park, Sang-Hee Ko; Jeon, Sanghun

    2016-08-01

    Hydrogen in zinc oxide based semiconductors functions as a donor or a defect de-activator depending on its concentration, greatly affecting the device characteristics of oxide thin-film transistors (TFTs). Thus, controlling the hydrogen concentration in oxide semiconductors is very important for achieving high mobility and minimizing device instability. In this study, we investigated the charge transport dynamics of the amorphous semiconductor InGaZnO at various hydrogen concentrations as a function of the deposition temperature of the gate insulator. To examine the nature of dynamic charge trapping, we employed short-pulse current-voltage and transient current-time measurements. Among various examined oxide devices, that with a high hydrogen concentration exhibits the best performance characteristics, such as high saturation mobility (10.9 cm2 v-1 s-1), low subthreshold slope (0.12 V/dec), and negligible hysteresis, which stem from low defect densities and negligible transient charge trapping. Our finding indicates that hydrogen atoms effectively passivate the defects in subgap states of the bulk semiconductor, minimizing the mobility degradation and threshold voltage instability. This study indicates that hydrogen plays a useful role in TFTs by improving the device performance and stability.

  16. Dissipative particle dynamics for systems with high density of charges: Implementation of electrostatic interactions

    Science.gov (United States)

    Gavrilov, A. A.; Chertovich, A. V.; Kramarenko, E. Yu.

    2016-11-01

    In this work, we study the question of how to introduce electrostatic interactions in dissipative particle dynamics (DPD) method in order to correctly reproduce the properties of systems with high density of charges, including those with inhomogeneous charge distribution. To this end, we formulate general requirements for the electrostatic force in DPD and propose a new functional form of the force which suits better for satisfying these requirements than the previously used ones. In order to verify the proposed model, we study the problem of a single polyelectrolyte chain collapse and compare the results with molecular dynamics (MD) simulations in which the exact Coulomb force is used. We show that an excellent quantitative agreement between MD and DPD models is observed if the length parameter D of the proposed electrostatic force is chosen properly; the recommendations concerning the choice of this parameter value are given based on the analysis of a polyelectrolyte chain collapse behavior. Finally, we demonstrate the applicability of DPD with the proposed electrostatic force to studying microphase separation phenomenon in polyelectrolyte melts and show that the same values of D as in the case of single chain collapse should be used, thus indicating universality of the model. Due to the charge correlation attraction, a long-range order in such melts can be observed even at zero Flory-Huggins parameter.

  17. Dynamic imaging of the nasal cavity and the paranasal sinuses with polarized {sup 3}helium MRI; Dynamische Bildgebung der Nasenhaupthoehle und der Nasennebenhoehlen im MR mittels polarisiertem {sup 3}Helium

    Energy Technology Data Exchange (ETDEWEB)

    Hanke, A.; Gast, K.; Viallon, M.; Thelen, M.; Kauczor, H.U. [Mainz Univ. (Germany). Klinik und Poliklinik fuer Radiologie; Markstaller, K. [Mainz Univ. (Germany). Klinik und Poliklinik fuer Radiologie; Klinik fuer Anaesthesiologie, Univ. Mainz (Germany); Eberle, B. [Klinik fuer Anaesthesiologie, Univ. Mainz (Germany)

    2001-12-01

    Purpose: Reduced or blocked ventilation of the paranasal sinuses is probably the most important factor in the development of sinusitis. Recently, the use of optically polarized noble gas isotopes has attracted increasing interest for use in a variety of promising MR applications. The aim of this study was to test the feasibility of imaging and visualization ventilation of the nasal cavity and paranasal sinus in MR by inhalation of hyperpolarized {sup 3}helium. The goal was to evaluate ventilation defects of the paranasal sinuses. Volunteers and Methods: Three volunteers were enrolled in the study. {sup 3}Helium was polarized to 40 - 50% by direct optical pumping. 300 ml of 100% {sup 3}helium were administered in the left nasal vestibule through a glass tube. With a closed contralateral nasal vestibule, the Valsalva maneuver was performed twice. Using a dedicated application unit, which is also used in MR imaging of the lung, an exact amount of {sup 3}helium gas was administered at the beginning of inspiration. Measurements were carried out on a clinical 1.5 T scanner. Coronal images of the nasal cavity and paranasal sinuses were acquired using ultrafast gradient-echo pulse sequence (TR = 2 ms, TE = 0.7 ms, FA < 2, 75 x 128, FOV = 500) with an image aquisition time of 130 ms. Results: The oral cavity and nasal cavities display a very high signal intensity after inhalation of polarized {sup 3}helium gas. The signal intensity in the left maxillary sinus was higher compared to the right one. The mean signal intensity on the left side was 526{+-}86 and on the right side 336{+-}102. The left and right frontal sinus and ethmoid sinus only show signal of hyperpolarized {sup 3}helium after two Valsalva maneuvers. Because of the low signal intensity of the frontal and ethmoid cells their visualization was incomplete. The signal to noise ratio was 14.1 for the left maxillary sinus, 8.9 for the right side, 6.3 for the left ethmoid sinus, 5.8 for the right side and 6.6 for the

  18. Spin dynamics and magneto-optical response in charge-neutral tunnel-coupled quantum dots

    Science.gov (United States)

    Gawełczyk, Michał; Machnikowski, Paweł

    2017-04-01

    We model the electron and hole spin dynamics in an undoped double quantum dot structure, considering the carrier tunneling between quantum dots. Taking the presence of an additional in-plane or tilted magnetic field into account, we enable the simulation of magneto-optical experiments, like the time-resolved Kerr rotation measurement, which are currently performed on such structures to probe the temporal spin dynamics. With our model, we reproduce the experimentally observed effect of the extension of the spin polarization lifetime caused by spatial charge separation, which may occur in structures of this type. Moreover, we provide a number of qualitative predictions concerning the necessary conditions for observation of this effect as well as about possible channels of its suppression, including the spin–orbit coupling, which leads to tunneling of carriers accompanied by a spin flip. We also consider the impact of the magnetic field tilting, which results in an interesting spin polarization dynamics.

  19. Charging dynamics of a polymer due to electron irradiation: A simultaneous scattering-transport model and preliminary results

    Institute of Scientific and Technical Information of China (English)

    Cao Meng; Wang Fang; Liu Jing; Zhang Hai-Bo

    2012-01-01

    We present a novel numerical model and simulate preliminarily the charging process of a polymer subjected to electron irradiation of several 10 keV.The model includes the simultaneous processes of electron scattering and ambipolar transport and the influence of a self-consistent electric field on the scattering distribution of electrons.The dynamic spatial distribution of charges is obtained and validated by existing experimental data.Our simulations show that excess negative charges are concentrated near the edge of the electron range.However,the formed region of high charge density may extend to the surface and bottom of a kapton sample,due to the effects of the electric field on electron scattering and charge transport,respectively.Charge trapping is then demonstrated to significantly influence the charge motion.The charge distribution can be extended to the bottom as the trap density decreases.Charge accumulation is therefore balanced by the appearance and increase of leakage current.Accordingly,our model and numerical simulation provide a comprehensive insight into the charging dynamics of a polymer irradiated by electrons in the complex space environment.

  20. Effects of local structure on helium bubble growth in bulk and at grain boundaries of bcc iron: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Li [Univ. of Electronic Science and Technology of China, Chengdu (China); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gao, Fei [Univ. of Michigan, Ann Arbor, MI (United States); Kurtz, Richard J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zu, Xiaotao [Univ. of Electronic Science and Technology of China, Chengdu (China); Peng, S. M. [China Academy of Engineering Physics, Mianyang (China); Long, X. G. [China Academy of Engineering Physics, Mianyang (China); Zhou, X. S. [China Academy of Engineering Physics, Mianyang (China)

    2015-07-15

    The nucleation and growth of helium (He) bubbles in the bulk and at Σ3 <110> {112} and Σ73b <110> {661} grain boundaries (GBs) in bcc iron have been investigated using molecular dynamics simulations. The results show that a 1/2 <111> {111} dislocation loop is formed with the sequential collection of <111> interstitial crowdions at the periphery of the He cluster and is eventually emitted from the He cluster. Insertion of 45 He atoms into a He cluster leads to the formation of a 1/2 <111> dislocation loop in Σ3 GB. It is of interest to notice that the transition of a dislocation segment through the GB leads to the formation of a step at the GB plane following the loop formation, accounting for the formation of a residual GB defect. A 1/2 <111> loop, with a {110} habit plane, is emitted with further increase of the He bubble size in the Σ3 GB. In contrast, the sequential insertion of He atoms in Σ73b GB continuously emits self-interstitial atoms (SIAs), but these SIAs rearrange at the core of the inherent GB dislocation, instead of forming a dislocation loop, which leads the GB dislocation to propagate along the [1¯1¯ 1 2] direction. In the bulk and Σ3 GB, the He bubble exhibits three-dimensionally spherical shape, but it forms longitudinal shape along the dislocation line in the Σ73 GB, a shape commonly observed at GBs in experiments.

  1. Charge generation by heavy ions in power MOSFETs, burnout space predictions, and dynamic SEB sensitivity

    Science.gov (United States)

    Stassinopoulos, E. G.; Brucker, G. J.; Calvel, P.; Baiget, A.; Peyrotte, C.; Gaillard, R.

    1992-01-01

    The transport, energy loss, and charge production of heavy ions in the sensitive regions of IRF 150 power MOSFETs are described. The dependence and variation of transport parameters with ion type and energy relative to the requirements for single event burnout in this part type are discussed. Test data taken with this power MOSFET are used together with analyses by means of a computer code of the ion energy loss and charge production in the device to establish criteria for burnout and parameters for space predictions. These parameters are then used in an application to predict burnout rates in a geostationary orbit for power converters operating in a dynamic mode. Comparisons of rates for different geometries in simulating SEU (single event upset) sensitive volumes are presented.

  2. Dynamic recrystallization of electroformed copper liners of shaped charges in high—strain—rate plastic deformation

    Institute of Scientific and Technical Information of China (English)

    WenhuaiTian; QiSun; 等

    2002-01-01

    The microstructures in the electroformed copper liners of shaped charges after high-strain-rate plastic deformation were in vestigated by transmission microscopy(TEM).Meanwhile,the orientation distribution of the grains in the recovered slug was examined by the electron backscattering Kikuchi pattern(EBSP) technique.EBSP analysis illustrated that unlike the as-formed electroformed copper liners of shaped charges the grain orientations in the recovered slug are distributed along randomly all the directions after undergoing heavily strain deformation at high-strain rate.Optical microscopy shows a typical recrystallization structure,and TEM examination reveals dislocation cells existed in the thin foil specimen.These results indicate that dynamic recovery and recrystallization occur during this plastic deformation process,and the associated deformation temperature is considered to be higher than 0.6 times the melting point of copper.

  3. Dynamic recrystallization of electroformed copper liners of shaped charges in high-strain-rate plastic deformation

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The microstructures in the electroformed copper liners of shaped charges after high-strain-rate plastic deformation were investigated by transmission electron microscopy (TEM). Meanwhile, the orientation distribution of the grains in the recovered slug was examined by the electron backscattering Kikuchi pattern (EBSP) technique. EBSP analysis illustrated that unlike the as-formed electroformed copper linersof shaped charges the grain orientations in the recovered slug are distributed along randomly all the directions after undergoing heavily strain deformation at high-strain rate. Optical microscopy shows a typical recrystallization structure, and TEM examination reveals dislocation cells existed in the thin foil specimen. These results indicate that dynamic recovery and recrystallization occur during this plastic deformation process, and the associated deformation temperature is considered to be higher than 0.6 times the melting point of copper.

  4. Layer-by-layer assembly of charged nanoparticles on porous substrates: molecular dynamics simulations.

    Science.gov (United States)

    Carrillo, Jan-Michael Y; Dobrynin, Andrey V

    2011-04-26

    We performed molecular dynamics simulations of a multilayer assembly of oppositely charged nanoparticles on porous substrates with cylindrical pores. The film was constructed by sequential adsorption of oppositely charged nanoparticles in layer-by-layer fashion from dilute solutions. The multilayer assembly proceeds through surface overcharging after completion of each deposition step. There is almost linear growth in the surface coverage and film thickness during the deposition process. The multilayer assembly also occurs inside cylindrical pores. The adsorption of nanoparticles inside pores is hindered by the electrostatic interactions of newly adsorbing nanoparticles with the multilayer film forming inside the pores and on the substrate. This is manifested in the saturation of the average thickness of the nanoparticle layers formed on the pore walls with an increasing number of deposition steps. The distribution of nanoparticles inside the cylindrical pore was nonuniform with a significant excess of nanoparticles at the pore entrance.

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

    Science.gov (United States)

    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.

  6. Spreading of Electrolyte Drops on Charged Surfaces: Electric Double Layer Effects on Drop Dynamics

    Science.gov (United States)

    Bae, Kyeong; Sinha, Shayandev; Chen, Guang; Das, Siddhartha

    2015-11-01

    Drop spreading is one of the most fundamental topics of wetting. Here we study the spreading of electrolyte drops on charged surfaces. The electrolyte solution in contact with the charged solid triggers the formation of an electric double layer (EDL). We develop a theory to analyze how the EDL affects the drop spreading. The drop dynamics is studied by probing the EDL effects on the temporal evolution of the contact angle and the base radius (r). The EDL effects are found to hasten the spreading behaviour - this is commensurate to the EDL effects causing a ``philic'' tendency in the drops (i.e., drops attaining a contact angle smaller than its equilibrium value), as revealed by some of our recent papers. We also develop scaling laws to illustrate the manner in which the EDL effects make the r versus time (t) variation deviate from the well known r ~tn variation, thereby pinpointing the attainment of different EDL-mediated spreading regimes.

  7. Cold phase fluid model of the longitudinal dynamics ofspace-charged dominated beams

    Energy Technology Data Exchange (ETDEWEB)

    de Hoon, Michiel J.L.; Lee, Edward P.; Barnard, John J.; Friedman, Alex

    2002-03-01

    The dynamics of a longitudinally cold, charged-particle beam can be simulated by dividing the beam into slices and calculating the motion of the slice boundaries due to the longitudinal electric field generated by the beam. On each time step, the beam charge is deposited onto an (r, z) grid, and an existing (r, z) electrostatic field solver is used to find the longitudinal electric field. Transversely, the beam envelope equation is used for each slice boundary separately. In contrast to the g-factor model, it can be shown analytically that the repulsive electric field of a slice compressed to zero length is bounded. Consequently, this model allows slices to overtake their neighbors, effectively incorporating mixing. The model then effectively describes a cold fluid in longitudinal z, v{sub z} phase space. Longitudinal beam compression calculations based on this cold phase fluid model showed that slice overtaking reflects local mixing, while the global phase space structure is preserved.

  8. Mobile Charge Generation Dynamics in P3HT:PCBM Observed by Time-Resolved Terahertz Spectroscopy

    DEFF Research Database (Denmark)

    Cooke, D. G.; Krebs, Frederik C; Jepsen, Peter Uhd

    2012-01-01

    Ultra-broadband time-resolved terahertz spectroscopy is used to examine the sub-ps conductivity dynamics of a conjugated polymer bulk heterojunction film P3HT:PCBM. We directly observe mobile charge generation dynamics on a sub-100 fs time scale.......Ultra-broadband time-resolved terahertz spectroscopy is used to examine the sub-ps conductivity dynamics of a conjugated polymer bulk heterojunction film P3HT:PCBM. We directly observe mobile charge generation dynamics on a sub-100 fs time scale....

  9. The dynamics of charge transfer with and without a barrier: A very simplified model of cyclic voltammetry.

    Science.gov (United States)

    Ouyang, Wenjun; Subotnik, Joseph E

    2017-05-07

    Using the Anderson-Holstein model, we investigate charge transfer dynamics between a molecule and a metal surface for two extreme cases. (i) With a large barrier, we show that the dynamics follow a single exponential decay as expected; (ii) without any barrier, we show that the dynamics are more complicated. On the one hand, if the metal-molecule coupling is small, single exponential dynamics persist. On the other hand, when the coupling between the metal and the molecule is large, the dynamics follow a biexponential decay. We analyze the dynamics using the Smoluchowski equation, develop a simple model, and explore the consequences of biexponential dynamics for a hypothetical cyclic voltammetry experiment.

  10. Dynamic polarizabilities of rare-earth-metal atoms and dispersion coefficients for their interaction with helium atoms

    NARCIS (Netherlands)

    Chu, X.; Dalgarno, A.; Groenenboom, G.C.

    2007-01-01

    The dynamic scalar and tensor polarizabilities of the rare-earth-metal atoms are calculated with time-dependent density functional theory. The frequency-dependent polarizabilities at imaginary frequencies are used to determine the isotropic and orientation-dependent van der Waals coefficients for th

  11. Long-term Results of the UCSF-LBNL Randomized Trial: Charged Particle With Helium Ion Versus Iodine-125 Plaque Therapy for Choroidal and Ciliary Body Melanoma

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Kavita K., E-mail: Kavita.mishra@ucsf.edu [Department of Radiation Oncology, University of California-San Francisco, San Francisco, California (United States); Quivey, Jeanne M.; Daftari, Inder K. [Department of Radiation Oncology, University of California-San Francisco, San Francisco, California (United States); Lawrence Berkeley National Laboratory, Berkeley, California (United States); Weinberg, Vivian [Department of Radiation Oncology, University of California-San Francisco, San Francisco, California (United States); Cole, Tia B. [The Tumori Foundation, San Francisco, California (United States); Patel, Kishan [Department of Radiation Oncology, University of California-San Francisco, San Francisco, California (United States); Castro, Joseph R.; Phillips, Theodore L. [Department of Radiation Oncology, University of California-San Francisco, San Francisco, California (United States); Lawrence Berkeley National Laboratory, Berkeley, California (United States); Char, Devron H. [The Tumori Foundation, San Francisco, California (United States); Department of Ophthalmology, University of California-San Francisco, San Francisco, California (United States); Department of Ophthalmology, Stanford University, Palo Alto, California (United States)

    2015-06-01

    Purpose: Relevant clinical data are needed given the increasing national interest in charged particle radiation therapy (CPT) programs. Here we report long-term outcomes from the only randomized, stratified trial comparing CPT with iodine-125 plaque therapy for choroidal and ciliary body melanoma. Methods and Materials: From 1985 to 1991, 184 patients met eligibility criteria and were randomized to receive particle (86 patients) or plaque therapy (98 patients). Patients were stratified by tumor diameter, thickness, distance to disc/fovea, anterior extension, and visual acuity. Tumors close to the optic disc were included. Local tumor control, as well as eye preservation, metastases due to melanoma, and survival were evaluated. Results: Median follow-up times for particle and plaque arm patients were 14.6 years and 12.3 years, respectively (P=.22), and for those alive at last follow-up, 18.5 and 16.5 years, respectively (P=.81). Local control (LC) for particle versus plaque treatment was 100% versus 84% at 5 years, and 98% versus 79% at 12 years, respectively (log rank: P=.0006). If patients with tumors close to the disc (<2 mm) were excluded, CPT still resulted in significantly improved LC: 100% versus 90% at 5 years and 98% versus 86% at 12 years, respectively (log rank: P=.048). Enucleation rate was lower after CPT: 11% versus 22% at 5 years and 17% versus 37% at 12 years, respectively (log rank: P=.01). Using Cox regression model, likelihood ratio test, treatment was the most important predictor of LC (P=.0002) and eye preservation (P=.01). CPT was a significant predictor of prolonged disease-free survival (log rank: P=.001). Conclusions: Particle therapy resulted in significantly improved local control, eye preservation, and disease-free survival as confirmed by long-term outcomes from the only randomized study available to date comparing radiation modalities in choroidal and ciliary body melanoma.

  12. Excited State Structural Dynamics of Carotenoids and ChargeTransfer Systems

    Energy Technology Data Exchange (ETDEWEB)

    Van Tassle, Aaron Justin [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    This dissertation describes the development andimplementation of a visible/near infrared pump/mid-infrared probeapparatus. Chapter 1 describes the background and motivation ofinvestigating optically induced structural dynamics, paying specificattention to solvation and the excitation selection rules of highlysymmetric molecules such as carotenoids. Chapter 2 describes thedevelopment and construction of the experimental apparatus usedthroughout the remainder of this dissertation. Chapter 3 will discuss theinvestigation of DCM, a laser dye with a fluorescence signal resultingfrom a charge transfer state. By studying the dynamics of DCM and of itsmethyl deuterated isotopomer (an otherwise identical molecule), we areable to investigate the origins of the charge transfer state and provideevidence that it is of the controversial twisted intramolecular (TICT)type. Chapter 4 introduces the use of two-photon excitation to the S1state, combined with one-photon excitation to the S2 state of thecarotenoid beta-apo-8'-carotenal. These 2 investigations show evidencefor the formation of solitons, previously unobserved in molecular systemsand found only in conducting polymers Chapter 5 presents an investigationof the excited state dynamics of peridinin, the carotenoid responsiblefor the light harvesting of dinoflagellates. This investigation allowsfor a more detailed understanding of the importance of structuraldynamics of carotenoids in light harvesting.

  13. Interaction between charged nanoparticles and vesicles: coarse-grained molecular dynamics simulations.

    Science.gov (United States)

    Liu, Linying; Zhang, Jianhua; Zhao, Xiaowei; Mao, Zheng; Liu, Na; Zhang, Youyu; Liu, Qing Huo

    2016-11-23

    An enhanced understanding of the interactions between charged nanoparticles (CNPs) and a curved vesicle membrane may have important implications for the design of nanocarrier agents and drug delivery systems. In this work, coarse-grained molecular dynamics (CGMD) simulations of the CNPs with vesicles were performed to evaluate the effects of hydrophobicity, surface charge density and distribution on the curved vesicle membrane. The simulations reveal that there exist four distinct modes (insertion, repulsion, adhesion, and penetration) in the CNP-vesicle interaction. In contrast to previous studies on a planar membrane, the interactions of CNPs and a curved vesicle membrane show some novel properties. CNPs with low surface charge density (or neutral ones) can penetrate into the interior of the vesicle membrane more easily because of the increased membrane tension. The asymmetry between two leaflets of the membrane induces different interaction strengths of the negatively CNPs with the outer and inner leaflets. After penetration, the negatively CNPs prefer to stay close to the inner leaflet inside the vesicle where CNPs have stronger interactions with their surroundings. In the present work, we analyze the detailed mechanism of CNP's spontaneous penetration into vesicles, which is rarely mentioned in previous simulations. Moreover, we found that the negatively CNPs with the same surface charge density but different distribution result in different modes: the homogeneous mode is more likely to adsorb on the vesicle surface while the inhomogeneous mode tends to be more penetrable. In addition, the flip-flop phenomenon of the lipid membrane and the exchanging of water in or out of the vesicle were observed during penetration. Our results demonstrate that the electrostatic effect plays an essential role in the interaction between CNPs and vesicles. These findings suggest a way of controlling the CNP-vesicle interaction by coupling the hydrophobic properties, surface

  14. Molecular dynamics study of self-agglomeration of charged fullerenes in solvents.

    Science.gov (United States)

    Banerjee, Soumik

    2013-01-28

    The agglomeration of fullerenes in solvents is an important phenomenon that is relevant to controlled synthesis of fullerene-based nanowires as well as fullerene-based composites. The molecular aggregation in solvents depends on the atomistic interactions of fullerene with the solvent and is made complicated by the fact that fullerenes accrue negative surface charges when present in solvents such as water. In the present work, we simulated fullerenes of varying size and shape (C60, C180, C240, and C540) with and without surface charges in polar protic (water), polar aprotic (acetone), and nonpolar (toluene) solvents using molecular dynamics method. Our results demonstrate that uncharged fullerenes form agglomerates in polar solvents such as water and acetone and remain relatively dispersed in nonpolar toluene. The presence of surface charge significantly reduces agglomerate size in water and acetone. Additionally, the relative influence of surface charge on fullerene agglomeration depends on the size and geometry of the fullerene with larger fullerenes forming relatively smaller agglomerates. We evaluated the diffusion coefficients of solvent molecules within the solvation shell of fullerenes and observed that they are much lower than the bulk solvent and are strongly associated with the fullerenes as seen in the corresponding radial distribution functions. To correlate agglomerate size with the binding energy between fullerenes, we evaluated the potential of mean force between fullerenes in each solvent. Consistent with the solubility of fullerenes, binding energy between fullerenes is the greatest in water followed by acetone and toluene. The presence of charge decreases the binding energy of fullerenes in water and thus results in dispersed fullerenes.

  15. Cooling with Superfluid Helium

    CERN Document Server

    Lebrun, P

    2014-01-01

    The technical properties of helium II (‘superfluid’ helium) are presented in view of its applications to the cooling of superconducting devices, particularly in particle accelerators. Cooling schemes are discussed in terms of heat transfer performance and limitations. Large-capacity refrigeration techniques below 2 K are reviewed, with regard to thermodynamic cycles as well as process machinery. Examples drawn from existing or planned projects illustrate the presentation. Keywords: superfluid helium, cryogenics

  16. Nano-electron beam induced current and hole charge dynamics through uncapped Ge nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Marchand, A.; El Hdiy, A.; Troyon, M. [Laboratoire de Recherche en Nanosciences, Bat. 6, case no 15, UFR Sciences, Universite de Reims Champagne Ardenne, 51687 Reims Cedex 2 (France); Amiard, G.; Ronda, A.; Berbezier, I. [IM2NP, Faculte des Sciences et Techniques, Campus de Saint Jerome - Case 142, Avenue Escadrille Normandie Niemen, 13397 Marseille Cedex 20 (France)

    2012-04-16

    Dynamics of hole storage in spherical Ge nanocrystals (NCs) formed by a two step dewetting/nucleation process on an oxide layer grown on an n-doped <001> silicon substrate is studied using a nano-electron beam induced current technique. Carrier generation is produced by an electron beam irradiation. The generated current is collected by an atomic force microscope--tip in contact mode at a fixed position away from the beam spot of about 0.5 {mu}m. This distance represents the effective diffusion length of holes. The time constants of holes charging are determined and the effect of the NC size is underlined.

  17. Charge Transport and Dynamics in Confined Ammonium and Phosphonium-based Ionic Liquids

    Science.gov (United States)

    Harris, Matthew; Cosby, Tyler; Tsunashima, Katsuhiko; Sangoro, Joshua

    Charge transport and structural dynamics in a homologous series of ammonium and phosphonium ionic liquids confined in silica nanopores are investigated by broadband dielectric spectroscopy and Fourier transform infrared spectroscopy. The impact of the central atom of the cation on the physicochemical properties as well as the interplay between confinement effects and pore-wall interactions through silica surface silanization are investigated. The results are discussed within the framework of current understanding of confinement effects in ionic liquid systems, especially in comparison to imidazolium-based ionic liquids.

  18. Charge Transport and Dynamics in Confined Phosphonium-based Ionic Liquids

    Science.gov (United States)

    Cosby, Tyler; Tsunashima, Katsuhiko; Sangoro, Joshua

    Charge transport and structural dynamics in a homologous series of phosphonium-based ionic liquids confined in silica nanopores are investigated by broadband dielectric spectroscopy and Fourier transform infrared spectroscopy. The impact of alkyl chain length and hydrophobic aggregation on the physicochemical properties as well as the interplay between confinement effects and pore-wall interactions through silica surface silanization are investigated. The results are discussed within the framework of current understanding of confinement effects in ionic liquid systems, especially in comparison to imidazolium-based ionic liquids. NSF DMR Polymers Program.

  19. ITER helium ash accumulation

    Energy Technology Data Exchange (ETDEWEB)

    Hogan, J.T.; Hillis, D.L.; Galambos, J.; Uckan, N.A. (Oak Ridge National Lab., TN (USA)); Dippel, K.H.; Finken, K.H. (Forschungszentrum Juelich GmbH (Germany, F.R.). Inst. fuer Plasmaphysik); Hulse, R.A.; Budny, R.V. (Princeton Univ., NJ (USA). Plasma Physics Lab.)

    1990-01-01

    Many studies have shown the importance of the ratio {upsilon}{sub He}/{upsilon}{sub E} in determining the level of He ash accumulation in future reactor systems. Results of the first tokamak He removal experiments have been analysed, and a first estimate of the ratio {upsilon}{sub He}/{upsilon}{sub E} to be expected for future reactor systems has been made. The experiments were carried out for neutral beam heated plasmas in the TEXTOR tokamak, at KFA/Julich. Helium was injected both as a short puff and continuously, and subsequently extracted with the Advanced Limiter Test-II pump limiter. The rate at which the He density decays has been determined with absolutely calibrated charge exchange spectroscopy, and compared with theoretical models, using the Multiple Impurity Species Transport (MIST) code. An analysis of energy confinement has been made with PPPL TRANSP code, to distinguish beam from thermal confinement, especially for low density cases. The ALT-II pump limiter system is found to exhaust the He with maximum exhaust efficiency (8 pumps) of {approximately}8%. We find 1<{upsilon}{sub He}/{upsilon}{sub E}<3.3 for the database of cases analysed to date. Analysis with the ITER TETRA systems code shows that these values would be adequate to achieve the required He concentration with the present ITER divertor He extraction system.

  20. Charge Carrier Dynamics of Quantum Confined Semiconductor Nanoparticles Analyzed via Transient Absorption Spectroscopy

    Science.gov (United States)

    Thibert, Arthur Joseph, III

    Semiconductor nanoparticles are tiny crystalline structures (typically range from 1 - 100 nm) whose shape in many cases can be dictated through tailored chemical synthesis with atomic scale precision. The small size of these nanoparticles often results in quantum confinement (spatial confinement of wave functions), which imparts the ability to manipulate band-gap energies thus allowing them to be optimally engineered for different applications (i.e., photovoltaics, photocatalysis, imaging). However, charge carriers excited within these nanoparticles are often involved in many different processes: trapping, trap migration, Auger recombination, non-radiative relaxation, radiative relaxation, oxidation / reduction, or multiple exciton generation. Broadband ultrafast transient absorption laser spectroscopy is used to spectrally resolve the fate of excited charge carriers in both wavelength and time, providing insight as to what synthetic developments or operating conditions will be necessary to optimize their efficiency for certain applications. This thesis outlines the effort of resolving the dynamics of excited charge carriers for several Cd and Si based nanoparticle systems using this experimental technique. The thesis is organized into five chapters and two appendices as indicated below. Chapter 1 provides a brief introduction to the photophysics of semiconductor nanoparticles. It begins by defining what nanoparticles, semiconductors, charge carriers, and quantum confinement are. From there it details how the study of charge carrier dynamics within nanoparticles can lead to increased efficiency in applications such as photocatalysis. Finally, the experimental methodology associated with ultrafast transient absorption spectroscopy is introduced and its power in mapping charge carrier dynamics is established. Chapter 2 (JPCC, 19647, 2011) introduces the first of the studied samples: water-solubilized 2D CdSe nanoribbons (NRs), which were synthesized in the Osterloh

  1. Stochastic collective dynamics of charged-particle beams in the stability regime.

    Science.gov (United States)

    Petroni, N C; De Martino, S; De Siena, S; Illuminati, F

    2001-01-01

    We introduce a description of the collective transverse dynamics of charged (proton) beams in the stability regime by suitable classical stochastic fluctuations. In this scheme, the collective beam dynamics is described by time-reversal invariant diffusion processes deduced by stochastic variational principles (Nelson processes). By general arguments, we show that the diffusion coefficient, expressed in units of length, is given by lambda(c)sqrt[N], where N is the number of particles in the beam and lambda(c) the Compton wavelength of a single constituent. This diffusion coefficient represents an effective unit of beam emittance. The hydrodynamic equations of the stochastic dynamics can be easily recast in the form of a Schrödinger equation, with the unit of emittance replacing the Planck action constant. This fact provides a natural connection to the so-called "quantum-like approaches" to beam dynamics. The transition probabilities associated to Nelson processes can be exploited to model evolutions suitable to control the transverse beam dynamics. In particular we show how to control, in the quadrupole approximation to the beam-field interaction, both the focusing and the transverse oscillations of the beam, either together or independently.

  2. Ionization and bound-state relativistic quantum dynamics in laser-driven multiply charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Hetzheim, Henrik

    2009-01-14

    The interaction of ultra-strong laser fields with multiply charged hydrogen-like ions can be distinguished in an ionization and a bound dynamics regime. Both are investigated by means of numerically solving the Dirac equation in two dimensions and by a classical relativistic Monte-Carlo simulation. For a better understanding of highly nonlinear physical processes the development of a well characterized ultra-intense relativistic laser field strength has been driven forward, capable of studying e.g. the magnetic field effects of the laser resulting in an additional electron motion in the laser propagation direction. A novel method to sensitively measure these ultra-strong laser intensities is developed and employed from the optical via the UV towards the XUV frequency regime. In the bound dynamics field, the determination of multiphoton transition matrixelements has been investigated between different bound states via Rabi oscillations. (orig.)

  3. Solving the Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem by Dynamic Programming

    DEFF Research Database (Denmark)

    Christensen, Tue; Andersen, Kim Allan; Klose, Andreas

    2013-01-01

    This paper considers a minimum-cost network flow problem in a bipartite graph with a single sink. The transportation costs exhibit a staircase cost structure because such types of transportation cost functions are often found in practice. We present a dynamic programming algorithm for solving...... this so-called single-sink, fixed-charge, multiple-choice transportation problem exactly. The method exploits heuristics and lower bounds to peg binary variables, improve bounds on flow variables, and reduce the state-space variable. In this way, the dynamic programming method is able to solve large...... instances with up to 10,000 nodes and 10 different transportation modes in a few seconds, much less time than required by a widely used mixed-integer programming solver and other methods proposed in the literature for this problem....

  4. Charge noise and dynamical decoupling in singlet-triplet spin qubits

    Science.gov (United States)

    Ramon, Guy

    2013-03-01

    We consider theoretically the effects of an ensemble of fluctuating charges on the coherence of a singlet-triplet qubit in gate-defined double quantum dots. We predict a crossover behavior of the system between non-Gaussian noise and 1/f spectrum, going from mesoscopic single-qubit devices to multi-qubit larger devices. With increasing size of the fluctuator ensemble we find a narrowed distribution of qubit dephasing times that result from random sets of fluctuators. At the same time the noise becomes Markovian with a characteristic Gaussian spectrum and it is dominated by a large collection of weakly-coupled fluctuators. The efficiency of dynamical decoupling pulse sequences in restoring coherence is examined as a function of the qubit's working position and the fluctuator ensemble size. Analytical solutions for qubit dephasing in the limits of weak and strong qubit-fluctuator coupling shed light on the distinct dynamics at different parameter regimes. Supported by Research Corporation

  5. Adiabatic bond charge model for lattice dynamics of ternary chalcopyrite semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Guerel, T.; Eryigit, R. [Department of Physics, Abant Izzet Baysal University, Bolu, 14280 (Turkey)

    2006-01-01

    The adiabatic bond charge model of Rustagi and Weber is extended to study lattice dynamical properties of ternary chalcopyrite semiconductors AgGaS{sub 2}, AgGaSe{sub 2}, CuInS{sub 2}, CuInSe{sub 2}, CuGaS{sub 2}, CuGaSe{sub 2}, CuAlS{sub 2} and CuAlSe{sub 2}. The new model calculations agree well with the results of Raman/IR and neutron measurements of Brillouin zone center phonon frequencies for both low and high frequency modes which was difficult for other phenomenological lattice dynamical models. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Shape-Tunable Charge Carrier Dynamics at the Interfaces between Perovskite Nanocrystals and Molecular Acceptors

    KAUST Repository

    Ahmed, Ghada H.

    2016-09-19

    Hybrid organic/inorganic perovskites have recently emerged as an important class of materials and have exhibited remarkable performance in photovoltaics. To further improve their device efficiency, an insightful understanding of the interfacial charge transfer (CT) process is required. Here, we report the first direct experimental observation of the tremendous effect that the shape of perovskite nanocrystals (NCs) has on interfacial CT in the presence of a molecular acceptor. A dramatic change in CT dynamics at the interfaces of three different NC shapes, spheres, platelets, and cubes, is recorded. Our results clearly demonstrate that the mechanism of CT is significantly affected by the NC shape. More importantly, the results demonstrate that complexation on the NC surface acts as an additional driving force not only to tune the CT dynamics but also to control the reaction mechanism at the interface. This observation opens a new venue for further developing perovskite NCs-based applications.

  7. On Dynamical Net-Charge Fluctuations within a Hadron Resonance Gas Approach

    Directory of Open Access Journals (Sweden)

    Abdel Nasser Tawfik

    2016-01-01

    Full Text Available The dynamical net-charge fluctuations (νdyn in different particle ratios K/π, K/p, and p/π are calculated from the hadron resonance gas (HRG model and compared with STAR central Au+Au collisions at sNN=7.7–200 GeV and NA49 central Pb+Pb collisions at sNN=6.3–17.3 GeV. The three charged particle ratios (K/π,K/p, and p/π are determined as total and average of opposite and average of the same charges. We find an excellent agreement between the HRG calculations and the experimental measurements, especially from STAR beam energy scan (BES program, while the strange particles in the NA49 experiment at lower Super Proton Synchrotron (SPS energies are not reproduced by the HRG approach. We conclude that the utilized HRG version seems to take into consideration various types of correlations including strong interactions through the heavy resonances and their decays especially at BES energies.

  8. Steric effects in the dynamics of electrolytes at large applied voltages: I. Double-layer charging

    CERN Document Server

    Kilic, M S; Ajdari, A; Kilic, Mustafa Sabri; Bazant, Martin Z.; Ajdari, Armand

    2006-01-01

    The classical Poisson-Boltzmann (PB) theory of electrolytes assumes a dilute solution of point charges with mean-field electrostatic forces. Even for very dilute solutions, however, it predicts absurdly large ion concentrations (exceeding close packing) for surface potentials of only a few tenths of a volt, which are often exceeded, e.g. in microfluidic pumps and electrochemical sensors. Since the 1950s, several modifications of the PB equation have been proposed to account for the finite size of ions in equilibrium, but in this two-part series, we consider steric effects on diffuse charge dynamics (in the absence of electro-osmotic flow). In this first part, we review the literature and analyze two simple models for the charging of a thin double layer, which must form a condensed layer of close-packed ions near the surface at high voltage. A surprising prediction is that the differential capacitance typically varies non-monotonically with the applied voltage, and thus so does the response time of an electrol...

  9. Ultrafast charge- and energy-transfer dynamics in conjugated polymer: cadmium selenide nanocrystal blends.

    Science.gov (United States)

    Morgenstern, Frederik S F; Rao, Akshay; Böhm, Marcus L; Kist, René J P; Vaynzof, Yana; Greenham, Neil C

    2014-02-25

    Hybrid nanocrystal-polymer systems are promising candidates for photovoltaic applications, but the processes controlling charge generation are poorly understood. Here, we disentangle the energy- and charge-transfer processes occurring in a model system based on blends of cadmium selenide nanocrystals (CdSe-NC) with poly[2-methoxy-5-(3',7'-dimethyloctyloxy)-1,4-phenylene vinylene] (MDMO-PPV) using a combination of time-resolved absorption and luminescence measurements. The use of different capping ligands (n-butylamine, oleic acid) as well as thermal annealing allows tuning of the polymer-nanocrystal interaction. We demonstrate that energy transfer from MDMO-PPV to CdSe-NCs is the dominant exciton quenching mechanism in nonannealed blends and occurs on ultrafast time scales (<1 ps). Upon thermal annealing electron transfer becomes competitive with energy transfer, with a transfer rate of 800 fs independent of the choice of the ligand. Interestingly, we find hole transfer to be much less efficient than electron transfer and to extend over several nanoseconds. Our results emphasize the importance of tuning the organic-nanocrystal interaction to achieve efficient charge separation and highlight the unfavorable hole-transfer dynamics in these blends.

  10. Role of Adsorbed Water on Charge Carrier Dynamics in Photoexcited TiO2

    Science.gov (United States)

    2017-01-01

    Overall photocatalytic water splitting is one of the most sought after processes for sustainable solar-to-chemical energy conversion. The efficiency of this process strongly depends on charge carrier recombination and interaction with surface adsorbates at different time scales. Here, we investigated how hydration of TiO2 P25 affects dynamics of photogenerated electrons at the millisecond to minute time scale characteristic for chemical reactions. We used rapid scan diffuse-reflectance infrared Fourier transform spectroscopy (DRIFTS). The decay of photogenerated electron absorption was substantially slower in the presence of associated water. For hydrated samples, the charge carrier recombination rates followed an Arrhenius-type behavior in the temperature range of 273–423 K; these became temperature-independent when the material was dehydrated at temperatures above 423 K or cooled below 273 K. A DFT+U analysis revealed that hydrogen bonding with adsorbed water stabilizes surface-trapped holes at anatase TiO2(101) facet and lowers the barriers for hole migration. Hence, hole mobility should be higher in the hydrated material than in the dehydrated system. This demonstrates that adsorbed associated water can efficiently stabilize photogenerated charge carriers in nanocrystalline TiO2 and suppress their recombination at the time scale up to minutes.

  11. Doping effect on photoabsorption and charge-separation dynamics in light-harvesting organic molecule

    Directory of Open Access Journals (Sweden)

    Satoshi Ohmura

    2016-01-01

    Full Text Available Using ab-initio theoretical methods, we demonstrate possible enhancement of photo-conversion efficiency of an organic solar cell via intentional doping in molecular graphene-fullerene heterojunction [the hexabenzocoronene (HBC-triethylene glycol (TEG–C60 molecule]. Photoabsorption analysis indicates oxygen substitution into HBC leads to an extension of the spectra up to an infrared regime. A quantum-mechanical molecular dynamics simulation incorporating nonadiabatic electronic transitions reveals that a dissociated charge state (D+ and A- in the O-doped system is more stable than the pristine case due to the presence of an effective barrier by the TEG HOMO/LUMO level. We also find that oxygen doping in HBC enhances the intermolecular carrier mobility after charge separation. On the other hand, the pristine molecule undergoes rapid recombination between donor and acceptor charges at the interface. These analyses suggest that the graphene oxidation opens a new window in the application of organic super-molecules to solar cells.

  12. Roughness-dependent dynamics of a point charge near a conducting plane

    Energy Technology Data Exchange (ETDEWEB)

    Gintautas, Vadas [Los Alamos National Laboratory; Hubler, Alfred [U ILLINOIS

    2008-01-01

    Nearly any surface in the real world is rough at some scale. Fmthermore, in most experiments there is some limit at which a surface is too rough to approximate by a smooth one. In this work the dynamics of a point charge near a rough surface are studied as the roughness of the surface is allowed to vary. The equation of motion of a charged pendulum near a rough, grounded, conducting plane is derived analytically and then analyzed both analytically and numerically . As the roughness is varied, a phase transition is observed in the fixed points of the pendulum. The consequences of a roughness phase transition on waveguide and electromagnetic scattering applications are considered. Also, the grounded plane may be considered to be a rough mirror and the point charge to be interacting with its image in this mirror. The quality of the image degrades with increasing roughness; the implications of this to interactions between systems in the real world and synthetic models are explored.

  13. Doping effect on photoabsorption and charge-separation dynamics in light-harvesting organic molecule

    Energy Technology Data Exchange (ETDEWEB)

    Ohmura, Satoshi, E-mail: s.ohmura.m4@cc.it-hiroshima.ac.jp [Research Center for Condensed Matter Physics, Department of Civil Engineering and Urban Design, Hiroshima Institute of Technology, Hiroshima 731-5193 (Japan); Tsuruta, Kenji [Department of Electrical and Electronic Engineering, Okayama University, Okayama 700-8530 (Japan); Shimojo, Fuyuki [Department of Physics, Kumamoto University, Kumamoto 860-8555 Japan (Japan); Nakano, Aiichiro [Collaboratory for Advanced Computing and Simulations, Department of Computer Science, Department of Physics & Astronomy, Department of Chemical Engineering & Materials Science, Department of Biological Sciences, University of Southern California, CA90089-024 (United States)

    2016-01-15

    Using ab-initio theoretical methods, we demonstrate possible enhancement of photo-conversion efficiency of an organic solar cell via intentional doping in molecular graphene-fullerene heterojunction [the hexabenzocoronene (HBC)-triethylene glycol (TEG)–C{sub 60} molecule]. Photoabsorption analysis indicates oxygen substitution into HBC leads to an extension of the spectra up to an infrared regime. A quantum-mechanical molecular dynamics simulation incorporating nonadiabatic electronic transitions reveals that a dissociated charge state (D{sup +} and A{sup -}) in the O-doped system is more stable than the pristine case due to the presence of an effective barrier by the TEG HOMO/LUMO level. We also find that oxygen doping in HBC enhances the intermolecular carrier mobility after charge separation. On the other hand, the pristine molecule undergoes rapid recombination between donor and acceptor charges at the interface. These analyses suggest that the graphene oxidation opens a new window in the application of organic super-molecules to solar cells.

  14. Molecular dynamics investigation into the electric charge effect on the operation of ion-based carbon nanotube oscillators

    Science.gov (United States)

    Ansari, R.; Ajori, S.; Sadeghi, F.

    2015-10-01

    The fabrication of nanoscale oscillators working in the gigahertz (GHz) range and beyond has now become the focal center of interest to many researchers. Motivated by this issue, this paper proposes a new type of nano-oscillators with enhanced operating frequency in which both the inner core and outer shell are electrically charged. To this end, molecular dynamics (MD) simulations are performed to investigate the mechanical oscillatory behavior of ions, and in particular chloride ion, tunneling through electrically charged carbon nanotubes (CNTs). It is assumed that the electric charges with similar sign and magnitude are evenly distributed on two ends of nanotube. The interatomic interactions between carbon atoms and van der Waals (vdW) interactions between ion and nanotube are respectively modeled by Tersoff-Brenner and Lennard-Jones (LJ) potential functions, whereas the electrostatic interactions between ion and electric charges are modeled by Coulomb potential function. A comprehensive study is conducted to get an insight into the effects of different parameters such as sign and magnitude of electric charges, nanotube radius, nanotube length and initial conditions (initial separation distance and velocity) on the oscillatory behavior of chloride ion-charged CNT oscillators. It is shown that, the chloride ion frequency inside negatively charged CNTs is lower than that inside positively charged ones with the same magnitude of electric charge, while it is higher than that inside uncharged CNTs. It is further observed that, higher frequencies are generated at higher magnitudes of electric charges distributed on the nanotube.

  15. Simulation for Sludge Flocculation I: Brownian Dynamic Simulation for Perikinetic Flocculation of Charged Particle

    Directory of Open Access Journals (Sweden)

    Linshuang Liu

    2012-01-01

    Full Text Available To investigate sludge drying process, a numerical simulation based on Brownian dynamic for the floc with uncharged and charged particles was conducted. The Langevin equation is used as dynamical equation for tracking each particle in a floc. An initial condition and periodic boundary condition which well conformed to reality is used for calculating the floc growth process. Each cell consists of 1000 primary particles with diameter 0.1 ∼ 4 μm. Floc growth is related to the thermal force and the electrostatic force. The electrostatic force on a particle in the simulation cell is considered as the sum of electrostatic forces from other particles in the original cell and its replicate cells. It is assumed that flocs are charged with precharged primary particles in dispersion system by ionization. By the analysis of the simulation figures, on one hand, the effects of initial particle size and sludge density on floc smashing time, floc radius of gyration, and fractal dimension were discussed. On the other hand, the effects of ionization on floc smashing time and floc structure were presented. This study has important practical value in the high-turbidity water treatment, especially for sludge drying.

  16. Signatures of dynamics in charge transport through organic molecules; Dynamisches Verhalten beim Ladungstransport durch organische Molekuele

    Energy Technology Data Exchange (ETDEWEB)

    Secker, Daniel

    2008-06-03

    The aim of the thesis at hand was to investigate dynamical behaviour in charge transport through organic molecules experimentally with the help of the mechanically controlled break junction (MCBJ) technique. the thesis concentrates on the complex interaction between the molecular contact configuration and the electronic structure. it is shown that by variation of the electrode distance and so by a manipulation of the molecule and contact configuration the electronic structure as well as the coupling between the molecule and the electrodes is affected. The latter statement is an additional hint how closely I-V-characteristics depend on the molecular contact configuration. Depending on the applied voltage and so the electric field there are two different configurations preferred by the molecular contact. A potential barrier between these two states is the origin of the hysteresis. A central part of the thesis is dealing with measurements of the current noise. Finally it can be concluded that the detailed discussion reveals the strong effect of dynamical interactions between the atomic configuration of the molecular contact and the electronic structure on the charge transport in single molecule junctions. (orig.)

  17. Dynamical and scale invariance of charged particles slipping on a rough surface with periodic excitation

    Science.gov (United States)

    Zhang, Hao; Luo, Pengcheng; Ding, Huifang

    2017-07-01

    This letter deals with the dynamical and scaling invariance of charged particles slipping on a rough surface with periodic excitation. A variant of the Fermi-Ulam model (FUM) is proposed to describe the transport behavior of the particles when the electric field force Fe is smaller or larger than the friction force Ff, i.e., A 0. For these two cases, the stability of fixed points is analyzed with the help of the eigenvalue analysis method, and further the invariant manifolds are constructed to investigate the dynamical invariance such as energy diffusion for some initial conditions in the case A > 0 and decay process in the case A law of the statistical behavior. It follows that both the FA phenomenon for A > 0 and the velocity decay process for A < 0 satisfy scaling invariance with respect to the nondimensional acceleration A. Besides, for A < 0, the transient number nx is proposed to evaluate the speed of the velocity decay process. More importantly, nx is found to possess the attribute of scaling invariance with respect to both the initial velocity V0 and the nondimensional acceleration A. These results are very useful for the in-depth understanding of the energy transport properties of charged particle systems.

  18. Hamiltonian and Lagrangian dynamics of charged particles including the effects of radiation damping

    Science.gov (United States)

    Qin, Hong; Burby, Joshua; Davidson, Ronald; Fisch, Nathaniel; Chung, Moses

    2015-11-01

    The effects of radiation damping (radiation reaction) on accelerating charged particles in modern high-intensity accelerators and high-intensity laser beams have becoming increasingly important. Especially for electron accelerators and storage rings, radiation damping is an effective mechanism and technique to achieve high beam luminosity. We develop Hamiltonian and Lagrangian descriptions of the classical dynamics of a charged particle including the effects of radiation damping in the general electromagnetic focusing channels encountered in accelerators. The direct connection between the classical Hamiltonian and Lagrangian theories and the more fundamental QED description of the synchrotron radiation process is also addressed. In addition to their theoretical importance, the classical Hamiltonian and Lagrangian theories of the radiation damping also enable us to numerically integrate the dynamics using advanced structure-preserving geometric algorithms. These theoretical developments can also be applied to runaway electrons and positrons generated during the disruption or startup of tokamak discharges. This research was supported by the U.S. Department of Energy (DE-AC02-09CH11466).

  19. Charge-transfer dynamics and nonlocal dielectric permittivity tuned with metamaterial structures as solvent analogues

    Science.gov (United States)

    Lee, Kwang Jin; Xiao, Yiming; Woo, Jae Heun; Kim, Eunsun; Kreher, David; Attias, André-Jean; Mathevet, Fabrice; Ribierre, Jean-Charles; Wu, Jeong Weon; André, Pascal

    2017-07-01

    Charge transfer (CT) is a fundamental and ubiquitous mechanism in biology, physics and chemistry. Here, we evidence that CT dynamics can be altered by multi-layered hyperbolic metamaterial (HMM) substrates. Taking triphenylene:perylene diimide dyad supramolecular self-assemblies as a model system, we reveal longer-lived CT states in the presence of HMM structures, with both charge separation and recombination characteristic times increased by factors of 2.4 and 1.7--that is, relative variations of 140 and 73%, respectively. To rationalize these experimental results in terms of driving force, we successfully introduce image dipole interactions in Marcus theory. The non-local effect herein demonstrated is directly linked to the number of metal-dielectric pairs, can be formalized in the dielectric permittivity, and is presented as a solid analogue to local solvent polarity effects. This model and extra PH3T:PC60BM results show the generality of this non-local phenomenon and that a wide range of kinetic tailoring opportunities can arise from substrate engineering. This work paves the way toward the design of artificial substrates to control CT dynamics of interest for applications in optoelectronics and chemistry.

  20. Dynamic Solvent Effect on Ultrafast Charge Recombination Kinetics in Excited Donor-Acceptor Complexes.

    Science.gov (United States)

    Mikhailova, Tatyana V; Mikhailova, Valentina A; Ivanov, Anatoly I

    2016-11-23

    Manifestation of the dynamic solvent effect (DSE) on the charge recombination (CR) kinetics of photoexcited donor-acceptor complexes in polar solvents has been investigated within the framework of the multichannel stochastic model. The model takes into account the reorganization of both the solvent and a number of intramolecular high-frequency vibration modes as well as their relaxation. The non-Markovian solvent dynamics is described in terms of two relaxation modes. The similarities and differences inherent to ultrafast charge transfer reactions occurring in the nonequilibrium and thermal regimes have been identified. The most important differences are as follows: (1) the DSE is strong in the area of weak exergonicity and is weak in the area of strong exergonicity for thermal reactions, whereas for the nonequilibrium reactions, the regions of strong and weak DSEs are reversed; (2) an increase in the electronic coupling value results in a decrease in the magnitude of DSE for nonequilibrium electron transfer and in its increase for the thermal reactions; and (3) the two-staged regime most clearly manifests if the reorganization energy of the relaxation modes noticeably exceeds the CR free-energy gap. With an increase in electronic coupling, the kinetics approaches the exponential regime because in the limit of strong electronic coupling, the reaction includes only single, nonequilibrium, stage.

  1. Nonlinear Dynamics and Bifurcation Analysis of a Boost Converter for Battery Charging in Photovoltaic Applications

    Science.gov (United States)

    Al-Hindawi, Mohammed M.; Abusorrah, Abdullah; Al-Turki, Yusuf; Giaouris, Damian; Mandal, Kuntal; Banerjee, Soumitro

    Photovoltaic (PV) systems with a battery back-up form an integral part of distributed generation systems and therefore have recently attracted a lot of interest. In this paper, we consider a system of charging a battery from a PV panel through a current mode controlled boost dc-dc converter. We analyze its complete nonlinear/nonsmooth dynamics, using a piecewise model of the converter and realistic nonlinear v-i characteristics of the PV panel. Through this study, it is revealed that system design without taking into account the nonsmooth dynamics of the converter combined with the nonlinear v-i characteristics of the PV panel can lead to unpredictable responses of the overall system with high current ripple and other undesirable phenomena. This analysis can lead to better designed converters that can operate under a wide variation of the solar irradiation and the battery's state of charge. We show that the v-i characteristics of the PV panel combined with the battery's output voltage variation can increase or decrease the converter's robustness, both under peak current mode control and average current mode control. We justify the observation in terms of the change in the discrete-time map caused by the nonlinear v-i characteristics of the PV panel. The theoretical results are validated experimentally.

  2. Hyperbolic metamaterial nanostructures to tune charge-transfer dynamics (Conference Presentation)

    Science.gov (United States)

    Lee, Kwang Jin; Xiao, Yiming; Woo, Jae Heun; Kim, Eun Sun; Kreher, David; Attias, André-Jean; Mathevet, Fabrice; Ribierre, Jean-Charles; Wu, Jeong Weon; André, Pascal

    2016-09-01

    Charge transfer (CT) is an essential phenomenon relevant to numerous fields including biology, physics and chemistry.1-5 Here, we demonstrate that multi-layered hyperbolic metamaterial (HMM) substrates alter organic semiconductor CT dynamics.6 With triphenylene:perylene diimide dyad supramolecular self-assemblies prepared on HMM substrates, we show that both charge separation (CS) and charge recombination (CR) characteristic times are increased by factors of 2.5 and 1.6, respectively, resulting in longer-lived CT states. We successfully rationalize the experimental data by extending Marcus theory framework with dipole image interactions tuning the driving force. The number of metal-dielectric pairs alters the HMM interfacial effective dielectric constant and becomes a solid analogue to solvent polarizability. Based on the experimental results and extended Marcus theory framework, we find that CS and CR processes are located in normal and inverted regions on Marcus parabola diagram, respectively. The model and further PH3T:PCBM data show that the phenomenon is general and that molecular and substrate engineering offer a wide range of kinetic tailoring opportunities. This work opens the path toward novel artificial substrates designed to control CT dynamics with potential applications in fields including optoelectronics, organic solar cells and chemistry. 1. Marcus, Rev. Mod. Phys., 1993, 65, 599. 2. Marcus, Phys. Chem. Chem. Phys., 2012, 14, 13729. 3. Lambert, et al., Nat. Phys., 2012, 9, 10. 4. C. Clavero, Nat. Photon., 2014, 8, 95. 5. A. Canaguier-Durand, et al., Angew. Chem. Int. Ed., 2013, 52, 10533. 6. K. J. Lee, et al., Submitted, 2015, arxiv.org/abs/1510.08574.

  3. Ultrafast Charge Recombination Dynamics in Ternary Electron Donor-Acceptor Complexes: (Benzene)2-Tetracyanoethylene Complexes.

    Science.gov (United States)

    Chiu, Chih-Chung; Hung, Chih-Chang; Cheng, Po-Yuan

    2016-12-08

    The charge-transfer (CT) state relaxation dynamics of the binary (1:1) and ternary (2:1) benzene/tetracyanoethylene (BZ/TCNE) complexes are reported. Steady-state and ultrafast time-resolved broadband fluorescence (TRFL) spectra of TCNE dissolved in a series of BZ/CCl4 mixed solvents are measured to elucidate the spectroscopic properties of the BZ/TCNE complexes and their CT-state relaxation dynamics. Both steady-state and TRFL spectra exhibit marked BZ concentration dependences, which can be attributed to the formation of two types of 2:1 complexes in the ground and excited states. By combining with the density functional theory (DFT) calculations, it was concluded that the BZ concentration dependence of the absorption spectra is mainly due to the formation and excitation of the sandwich-type 2:1 ternary complexes, whereas the changes in fluorescence spectra at high BZ concentrations are due to the formation of the asymmetric-type 2:1 ternary complex CT1 state. A unified mechanism involving both direct excitation and secondary formation of the 2:1 complexes CT states are proposed to account for the observations. The equilibrium charge recombination (CR) time constant of the 1:1 CT1 state is determined to be ∼150 ps in CCl4, whereas that of the 2:1 DDA-type CT1 state becomes ∼70 ps in 10% BZ/CCl4 and ∼34 ps in pure BZ. The CR rates and the CT1-S0 energy gap of these complexes in different solvents exhibit a correlation conforming to the Marcus inverted region. It is concluded that partial charge resonance occurring between the two adjacent BZs in the asymmetric-type 2:1 CT1-state reduces the CR reaction exothermicity and increases the CR rate.

  4. Computer simulation studies on passive recruitment dynamics of lipids induced by the adsorption of charged nanoparticles.

    Science.gov (United States)

    Li, Yang

    2014-07-07

    The recruitment dynamics of lipids in the biomembrane is believed to play an important role in a variety of cellular processes. In this work, we investigate the nanoparticle-induced recruitment dynamics of lipids in the heterogeneous phospholipid bilayers of distearoyl-phosphatidylcholine (DSPC) and dioleoyl-phosphatidylglycerol (DOPG) via coarse-grained molecular dynamics simulations. Three dynamic modes of individual charged DOPG lipid molecules have been taken into account in the recruitment process: lateral diffusion, protrusions, and flip-flops. Based on analysis of the mobility pattern of lipids, structural variations in the membrane as well as activation energy of the structure of lipid eyelids characterized by the potential of mean force, we have concluded that the electrostatic attraction of nanoparticles plays a crucial role in the recruitment process of lipids in phospholipid bilayers. These studies are consistent with experimental observations and to some extent give insight into the origin of some cellular processes such as signaling, formation of lipid rafts, and endocytosis.

  5. Helium the disappearing element

    CERN Document Server

    Sears, Wheeler M

    2015-01-01

    The subject of the book is helium, the element, and its use in myriad applications including MRI machines, particle accelerators, space telescopes, and of course balloons and blimps. It was at the birth of our Universe, or the Big Bang, where the majority of cosmic helium was created; and stellar helium production continues. Although helium is the second most abundant element in the Universe, it is actually quite rare here on Earth and only exists because of radioactive elements deep within the Earth. This book includes a detailed history of the discovery of helium, of the commercial industry built around it, how the helium we actually encounter is produced within the Earth, and the state of the helium industry today. The gas that most people associate with birthday party balloons is running out. “Who cares?” you might ask. Well, without helium, MRI machines could not function, rockets could not go into space, particle accelerators such as those used by CERN could not operate, fiber optic cables would not...

  6. Sulfur dioxide in water: structure and dynamics studied by an ab initio quantum mechanical charge field molecular dynamics simulation.

    Science.gov (United States)

    Moin, Syed Tarique; Lim, Len Herald V; Hofer, Thomas S; Randolf, Bernhard R; Rode, Bernd M

    2011-04-18

    An ab initio Quantum Mechanical Charge Field Molecular Dynamics Simulation (QMCF MD) was performed to investigate structure and dynamics behavior of hydrated sulfur dioxide (SO(2)) at the Hartree-Fock level of theory employing Dunning DZP basis sets for solute and solvent molecules. The intramolecular structural characteristics of SO(2), such as S═O bond lengths and O═S═O bond angle, are in good agreement with the data available from a number of different experiments. The structural features of the hydrated SO(2) were primarily evaluated in the form of S-O(wat) and O(SO(2))-H(wat) radial distribution functions (RDFs) which gave mean distances of 2.9 and 2.2 Å, respectively. The dynamical behavior characterizes the solute molecule to have structure making properties in aqueous solution or water aerosols, where the hydrated SO(2) can easily get oxidized to form a number of sulfur(VI) species, which are believed to play an important role in the atmospheric processes.

  7. The muonic helium lamb shift experiment

    Energy Technology Data Exchange (ETDEWEB)

    Goetzfried, Johannes; Krauth, Julian [Max-Planck-Institute of Quantum Optics, Garching (Germany); Collaboration: CREMA collaboration

    2014-07-01

    Because of its high sensitivity on finite size effects of the nucleus, the measurement of the Lamb shift in exotic atoms has been on the wish-list of atomic and nuclear physics for a long time. Our previous experiment allowed to determine the proton radius with an order of magnitude higher precision compared to spectroscopic measurements of ordinary hydrogen. The successor experiment in muonic helium is currently performed at the Paul-Scherrer-Institute in Switzerland. Using a low energy muon beam line muons are stopped within low pressure helium gas, where exotic atoms are created. Here we measure the 2S-2P transition frequency of muonic helium illuminated by a pulsed TiSa-laser system pumped with a newly developed Yb-YAG thin disk laser. This measurement will ultimately improve the values of the charge radii of {sup 3}He{sup +} and {sup 4}He{sup +} by an order of magnitude.

  8. Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene- alt -thienothiophene) [PBTTT

    KAUST Repository

    Poelking, Carl

    2013-01-31

    We establish a link between the microscopic ordering and the charge-transport parameters for a highly crystalline polymeric organic semiconductor, poly(2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b]thiophene) (PBTTT). We find that the nematic and dynamic order parameters of the conjugated backbones, as well as their separation, evolve linearly with temperature, while the side-chain dynamic order parameter and backbone paracrystallinity change abruptly upon the (also experimentally observed) melting of the side chains around 400 K. The distribution of site energies follows the behavior of the backbone paracrystallinity and can be treated as static on the time scale of a single-charge transfer reaction. On the contrary, the electronic couplings between adjacent backbones are insensitive to side-chain melting and vary on a much faster time scale. The hole mobility, calculated after time-averaging of the electronic couplings, reproduces well the value measured in a short-channel thin-film transistor. The results underline that to secure efficient charge transport in lamellar arrangements of conjugated polymers: (i) the electronic couplings should present high average values and fast dynamics, and (ii) the energetic disorder (paracrystallinity) should be small. © 2013 American Chemical Society.

  9. Single Molecule Spectroelectrochemistry of Interfacial Charge Transfer Dynamics In Hybrid Organic Solar Cell

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Shanlin [Univ. of Alabama, Tuscaloosa, AL (United States)

    2014-11-16

    Our research under support of this DOE grant is focused on applied and fundamental aspects of model organic solar cell systems. Major accomplishments are: 1) we developed a spectroelectorchemistry technique of single molecule single nanoparticle method to study charge transfer between conjugated polymers and semiconductor at the single molecule level. The fluorescence of individual fluorescent polymers at semiconductor surfaces was shown to exhibit blinking behavior compared to molecules on glass substrates. Single molecule fluorescence excitation anisotropy measurements showed the conformation of the polymer molecules did not differ appreciably between glass and semiconductor substrates. The similarities in molecular conformation suggest that the observed differences in blinking activity are due to charge transfer between fluorescent polymer and semiconductor, which provides additional pathways between states of high and low fluorescence quantum efficiency. Similar spectroelectrochemistry work has been done for small organic dyes for understand their charge transfer dynamics on various substrates and electrochemical environments; 2) We developed a method of transferring semiconductor nanoparticles (NPs) and graphene oxide (GO) nanosheets into organic solvent for a potential electron acceptor in bulk heterojunction organic solar cells which employed polymer semiconductor as the electron donor. Electron transfer from the polymer semiconductor to semiconductor and GO in solutions and thin films was established through fluorescence spectroscopy and electroluminescence measurements. Solar cells containing these materials were constructed and evaluated using transient absorption spectroscopy and dynamic fluorescence techniques to understand the charge carrier generation and recombination events; 3) We invented a spectroelectorchemistry technique using light scattering and electroluminescence for rapid size determination and studying electrochemistry of single NPs in an

  10. Laser-Induced Rotation of Iodine Molecules in Helium Nanodroplets

    DEFF Research Database (Denmark)

    Shepperson, Benjamin; Sondergaard, Anders A.; Christiansen, Lars

    2017-01-01

    Rotation of molecules embedded in helium nanodroplets is explored by a combination of fs laser-induced alignment experiments and angulon quasiparticle theory. We demonstrate that at low fluence of the fs alignment pulse, the molecule and its solvation shell can be set into coherent collective...... its helium shell. Our results open novel opportunities for studying nonequilibrium solute-solvent dynamics and quantum thermalization....

  11. Protein Charge and Mass Contribute to the Spatio-temporal Dynamics of Protein-Protein Interactions in a Minimal Proteome

    Science.gov (United States)

    Xu, Yu; Wang, Hong; Nussinov, Ruth; Ma, Buyong

    2013-01-01

    We constructed and simulated a ‘minimal proteome’ model using Langevin dynamics. It contains 206 essential protein types which were compiled from the literature. For comparison, we generated six proteomes with randomized concentrations. We found that the net charges and molecular weights of the proteins in the minimal genome are not random. The net charge of a protein decreases linearly with molecular weight, with small proteins being mostly positively charged and large proteins negatively charged. The protein copy numbers in the minimal genome have the tendency to maximize the number of protein-protein interactions in the network. Negatively charged proteins which tend to have larger sizes can provide large collision cross-section allowing them to interact with other proteins; on the other hand, the smaller positively charged proteins could have higher diffusion speed and are more likely to collide with other proteins. Proteomes with random charge/mass populations form less stable clusters than those with experimental protein copy numbers. Our study suggests that ‘proper’ populations of negatively and positively charged proteins are important for maintaining a protein-protein interaction network in a proteome. It is interesting to note that the minimal genome model based on the charge and mass of E. Coli may have a larger protein-protein interaction network than that based on the lower organism M. pneumoniae. PMID:23420643

  12. Diffusion behaviors of helium atoms at two Pd grain boundaries

    Institute of Scientific and Technical Information of China (English)

    XIA Ji-xing; HU Wang-yu; YANG Jian-yu; AO Bing-yun

    2006-01-01

    The diffusion behaviors of helium atoms at two symmetric grain boundaries (Σ5{210} and Σ3 {112}) of Pd were investigated using molecular dynamics simulations through an analytical embedded-atom method(MAEAM) model. The simulations demonstrate that the interstitial helium atoms are easily trapped at the grain boundaries and precipitated into clusters. Due to the closed-shell electronic configurations of both helium and palladium,Pd grain boundaries yield strong capability of retaining helium atoms. By calculating the mean square displacements(MSD) of an interstitial helium atom at the grain boundaries,the diffusion coefficients were determined,and the linear fits to Arrhenius relation. The diffusion activation energies of interstitial helium atom at these two Pd grain boundaries were also evaluated.

  13. Helium behaviour in implanted boron carbide

    Directory of Open Access Journals (Sweden)

    Motte Vianney

    2015-01-01

    Full Text Available When boron carbide is used as a neutron absorber in nuclear power plants, large quantities of helium are produced. To simulate the gas behaviour, helium implantations were carried out in boron carbide. The samples were then annealed up to 1500 °C in order to observe the influence of temperature and duration of annealing. The determination of the helium diffusion coefficient was carried out using the 3He(d,p4He nuclear reaction (NRA method. From the evolution of the width of implanted 3He helium profiles (fluence 1 × 1015/cm2, 3 MeV corresponding to a maximum helium concentration of about 1020/cm3 as a function of annealing temperatures, an Arrhenius diagram was plotted and an apparent diffusion coefficient was deduced (Ea = 0.52 ± 0.11 eV/atom. The dynamic of helium clusters was observed by transmission electron microscopy (TEM of samples implanted with 1.5 × 1016/cm2, 2.8 to 3 MeV 4He ions, leading to an implanted slab about 1 μm wide with a maximum helium concentration of about 1021/cm3. After annealing at 900 °C and 1100 °C, small (5–20 nm flat oriented bubbles appeared in the grain, then at the grain boundaries. At 1500 °C, due to long-range diffusion, intra-granular bubbles were no longer observed; helium segregates at the grain boundaries, either as bubbles or inducing grain boundaries opening.

  14. Investigations of levitated helium drops

    Science.gov (United States)

    Whitaker, Dwight Lawrence

    1999-11-01

    We report on the development of two systems capable of levitating drops of liquid helium. Helium drops of ˜20 mum have been levitated with the radiation pressure from two counter-propagating Nd:YAG laser beams. Drops are produced with a submerged piezoelectric transducer, and could be held for up to three minutes in our optical trap. Calculations show that Brillouin and Raman scattering of the laser light in the liquid helium produces a negligible rate of evaporation of the drop. Evaporation caused by the enhanced vapor pressure of the curved drop surfaces appears to be a significant effect limiting the drop lifetimes. Helium drops as large as 2 cm in diameter have been suspended in the earth's gravitational field with a magnetic field. A commercial superconducting solenoid provides the necessary field, field-gradient product required to levitate the drops. Drops are cooled to 0.5 K with a helium-3 refrigerator, and can be held in the trap indefinitely. We have found that when two or more drops are levitated in the same magnetic trap, the drops often remain in a state of apparent contact without coalescing. This effect is a result of the evaporation of liquid from between the two drops, and is found to occur only for normal fluid drops. We can induce shape oscillations in charged, levitated drops with an applied ac electric field. We have measured the resonance frequencies and damping rates for the l = 2 mode of oscillation as function of temperature. We have also developed a theory to describe the small amplitude shape oscillations of a He II drop surrounded by its saturated vapor. In our theory, we have considered two sets of boundary conditions---one where the drop does not evaporate and another in which the liquid and vapor are in thermodynamic equilibrium. We have found that both solutions give a frequency that agrees well with experiment, but that the data for the damping rate agree better with the solution without evaporation.

  15. Ultrafast dynamics of charge carrier photogeneration and geminate recombination in conjugated polymer:fullerene solar cells

    Science.gov (United States)

    Müller, J. G.; Lupton, J. M.; Feldmann, J.; Lemmer, U.; Scharber, M. C.; Sariciftci, N. S.; Brabec, C. J.; Scherf, U.

    2005-11-01

    We investigate the nature of ultrafast exciton dissociation and carrier generation in acceptor-doped conjugated polymers. Using a combination of two-pulse femtosecond spectroscopy with photocurrent detection, we compare the exciton dissociation and geminate charge recombination dynamics in blends of two conjugated polymers, MeLPPP [methyl-substituted ladder-type poly( p -phenylene)] and MDMO-PPV [poly(2-methoxy,5-(3,7-dimethyloctyloxy)-1,4-phenylenevinylene], with the electron accepting fullerene derivative PCBM [1-(3-methoxycarbonyl)-propyl-1-phenyl- (6,6)C61 ]. This technique allows us to distinguish between free charge carriers and Coulombically bound polaron pairs. Our results highlight the importance of geminate pair recombination in photovoltaic devices, which limits the device performance. The comparison of different materials allows us to address the dependence of geminate recombination on the film morphology directly at the polymer:fullerene interface. We find that in the MeLPPP:PCBM blend exciton dissociation generates Coulombically bound geminate polaron pairs with a high probability for recombination, which explains the low photocurrent yield found in these samples. In contrast, in the highly efficient MDMO-PPV:PCBM blend the electron transfer leads to the formation of free carriers. The anisotropy dynamics of electronic transitions from neutral and charged states indicate that polarons in MDMO-PPV relax to delocalized states in ordered domains within 500fs . The results suggest that this relaxation enlarges the distance of carrier separation within the geminate pair, lowering its binding energy and favoring full dissociation. The difference in geminate pair recombination concurs with distinct dissociation dynamics. The electron transfer is preceded by exciton migration towards the PCBM sites. In MeLPPP:PCBM the exciton migration time decays smoothly with increasing PCBM concentration, indicating a trap-free exciton hopping. In MDMO-PPV:PCBM, however

  16. Dynamical investigation and parameter stability region analysis of a flywheel energy storage system in charging mode

    Science.gov (United States)

    Zhang, Wei-Ya; Li, Yong-Li; Chang, Xiao-Yong; Wang, Nan

    2013-09-01

    In this paper, the dynamic behavior analysis of the electromechanical coupling characteristics of a flywheel energy storage system (FESS) with a permanent magnet (PM) brushless direct-current (DC) motor (BLDCM) is studied. The Hopf bifurcation theory and nonlinear methods are used to investigate the generation process and mechanism of the coupled dynamic behavior for the average current controlled FESS in the charging mode. First, the universal nonlinear dynamic model of the FESS based on the BLDCM is derived. Then, for a 0.01 kWh/1.6 kW FESS platform in the Key Laboratory of the Smart Grid at Tianjin University, the phase trajectory of the FESS from a stable state towards chaos is presented using numerical and stroboscopic methods, and all dynamic behaviors of the system in this process are captured. The characteristics of the low-frequency oscillation and the mechanism of the Hopf bifurcation are investigated based on the Routh stability criterion and nonlinear dynamic theory. It is shown that the Hopf bifurcation is directly due to the loss of control over the inductor current, which is caused by the system control parameters exceeding certain ranges. This coupling nonlinear process of the FESS affects the stability of the motor running and the efficiency of energy transfer. In this paper, we investigate into the effects of control parameter change on the stability and the stability regions of these parameters based on the averaged-model approach. Furthermore, the effect of the quantization error in the digital control system is considered to modify the stability regions of the control parameters. Finally, these theoretical results are verified through platform experiments.

  17. Sizing Dynamic Wireless Charging for Light-Duty Electric Vehicles in Roadway Applications

    Energy Technology Data Exchange (ETDEWEB)

    Foote, Andrew P [ORNL; Ozpineci, Burak [ORNL; Chinthavali, Madhu Sudhan [ORNL; Li, Jan-Mou [ORNL

    2016-01-01

    Dynamic wireless charging is a possible cure for the range limitations seen in electric vehicles (EVs) once implemented in highways or city streets. The contribution of this paper is the use of experimental data to show that the expected energy gain from a dynamic wireless power transfer (WPT) system is largely a function of average speed, which allows the power level and number of coils per mile of a dynamic WPT system to be sized for the sustained operation of an EV. First, data from dynamometer testing is used to determine the instantaneous energy requirements of a light-duty EV. Then, experimental data is applied to determine the theoretical energy gained by passing over a coil as a function of velocity and power level. Related simulations are performed to explore possible methods of placing WPT coils within roadways with comparisons to the constant velocity case. Analyses with these cases demonstrate what system ratings are needed to meet the energy requirements of the EV. The simulations are also used to determine onboard energy storage requirements for each driving cycle.

  18. Quasiclassical methods for spin-charge coupled dynamics in low-dimensional systems

    Energy Technology Data Exchange (ETDEWEB)

    Corini, Cosimo

    2009-06-12

    Spintronics is a new field of study whose broad aim is the manipulation of the spin degrees of freedom in solid state systems. One of its main goals is the realization of devices capable of exploiting, besides the charge, the carriers' - and possibly the nuclei's - spin. The presence of spin-orbit coupling in a system enables the spin and charge degrees of freedom to ''communicate'', a favorable situation if one is to realize such devices. More importantly, it offers the opportunity of doing so by relying solely on electric fields, whereas magnetic fields are otherwise required. Eminent examples of versatile systems with built-in and variously tunable spin-orbit interaction are two-dimensional electron - or hole - gases. The study of spin-charge coupled dynamics in such a context faces a large number of open questions, both of the fundamental and of the more practical type. To tackle the problem we rely on the quasiclassical formalism. This is an approximate quantum-field theoretical formulation with a solid microscopic foundation, perfectly suited for describing phenomena at the mesoscopic scale, and bearing a resemblance to standard Boltzmann theory which makes for physical transparency. Originally born to deal with transport in electron-phonon systems, we first generalize it to the case in which spin-orbit coupling is present, and then move on to apply it to specific situations and phenomena. Among these, to the description of the spin Hall effect and of voltage induced spin polarizations in two-dimensional electron gases under a variety of conditions - stationary or time-dependent, in the presence of magnetic and non-magnetic disorder, in the bulk or in confined geometries -, and to the problem of spin relaxation in narrow wires. (orig.)

  19. The Impact of Donor-Acceptor Phase Separation on the Charge Carrier Dynamics in pBTTT:PCBM Photovoltaic Blends

    KAUST Repository

    Gehrig, Dominik W.

    2015-04-07

    The effect of donor–acceptor phase separation, controlled by the donor–acceptor mixing ratio, on the charge generation and recombination dynamics in pBTTT-C14:PC70BM bulk heterojunction photovoltaic blends is presented. Transient absorption (TA) spectroscopy spanning the dynamic range from pico- to microseconds in the visible and near-infrared spectral regions reveals that in a 1:1 blend exciton dissociation is ultrafast; however, charges cannot entirely escape their mutual Coulomb attraction and thus predominantly recombine geminately on a sub-ns timescale. In contrast, a polymer:fullerene mixing ratio of 1:4 facilitates the formation of spatially separated, that is free, charges and reduces substantially the fraction of geminate charge recombination, in turn leading to much more efficient photovoltaic devices. This illustrates that spatially extended donor or acceptor domains are required for the separation of charges on an ultrafast timescale (<100 fs), indicating that they are not only important for efficient charge transport and extraction, but also critically influence the initial stages of free charge carrier formation.

  20. The Effects of Space-Charge on the Dynamics of the Ion Booster in the Jefferson Lab EIC (JLEIC)

    Energy Technology Data Exchange (ETDEWEB)

    Bogacz, Alex [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Nissen, Edward [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2017-05-01

    Optimization of the booster synchrotron design to operate in the extreme space-charge dominated regime is proposed. This study is motivated by the ultra-high luminosity promised by the JLEIC accelerator complex, which poses several beam dynamics and lattice design challenges for its individual components. We examine the effects of space charge on the dynamics of the booster synchrotron for the proposed JLEIC electron ion collider. This booster will inject and accumulate protons and heavy ions at an energy of 280 MeV and then engage in a process of acceleration and electron cooling to bring it to its extraction energy of 8 GeV. This would then be sent into the ion collider ring part of JLEIC. In order to examine the effects of space charge on the dynamics of this process we use the software SYNERGIA.

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

    Science.gov (United States)

    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. Control of polythiophene film microstructure and charge carrier dynamics through crystallization temperature

    KAUST Repository

    Marsh, Hilary S.

    2014-03-22

    The microstructure of neat conjugated polymers is crucial in determining the ultimate morphology and photovoltaic performance of polymer/fullerene blends, yet until recently, little work has focused on controlling the former. Here, we demonstrate that both the long-range order along the (100)-direction and the lamellar crystal thickness along the (001)-direction in neat poly(3-hexylthiophene) (P3HT) and poly[(3,3″-didecyl[2,2′:5′, 2″-terthiophene]-5,5″-diyl)] (PTTT-10) thin films can be manipulated by varying crystallization temperature. Changes in crystalline domain size impact the yield and dynamics of photogenerated charge carriers. Time-resolved microwave conductivity measurements show that neat polymer films composed of larger crystalline domains have longer photoconductance lifetimes and charge carrier yield decreases with increasing crystallite size for P3HT. Our results suggest that the classical polymer science description of temperature-dependent crystallization of polymers from solution can be used to understand thin-film formation in neat conjugated polymers, and hence, should be considered when discussing the structural evolution of organic bulk heterojunctions. © 2014 Wiley Periodicals, Inc.

  3. Dynamical image-charge effect in molecular tunnel junctions: Beyond energy level alignment

    Science.gov (United States)

    Jin, Chengjun; Thygesen, Kristian S.

    2014-01-01

    When an electron tunnels between two metal contacts it temporarily induces an image charge (IC) in the electrodes which acts back on the tunneling electron. It is usually assumed that the IC forms instantaneously such that a static model for the image potential applies. Here we investigate how the finite IC formation time affects charge transport through a molecule suspended between two electrodes. For a single-level model, an analytical treatment shows that the conductance is suppressed by a factor Z2, where Z is the quasiparticle renormalization factor, compared to the static IC approximation. We show that Z can be expressed either in terms of the plasma frequency of the electrode or as the overlap between electrode wave functions corresponding to an empty and filled level, respectively. First-principles GW calculations for benzene-diamine connected to gold electrodes show that the dynamical corrections can reduce the conductance by more than a factor of two when compared to static GW or density functional theory where the molecular energy levels have been shifted to match the exact quasiparticle levels.

  4. Composite charged particle detectors with logarithmic energy response for large dynamic range energy measurements

    Energy Technology Data Exchange (ETDEWEB)

    Fowler, M.M.; Begemann-Blaich, M.L.; Blaich, T.; Boissevain, J.A.; Gavron, A.; Jacak, B.V.; Lysaght, P.S.; Wilhelmy, J.B. (Los Alamos National Lab., NM (USA)); Sangster, T.C.; Britt, H.C.; Fields, D.J.; Lanier, R.G.; Massoletti, D.J.; Namboodiri, M.N. (Lawrence Livermore National Lab., CA (USA)); Chan, Y.D.; Harmon, A.; Pouliot, J.; Stokstad, R.G. (Lawrence Berkeley Lab., CA (USA)); Dacal, A. (Universidad Nacional Autonoma de Mexico, Mexico City. Inst. de Fisica); Fraenkel, Z.; Mamane, G. (Weizmann Inst. of Science, Rehovoth (Israel)); Webb, M.L. (Dynamics Technology, Inc., Torrance, CA (USA))

    1989-09-15

    We have developed an array of detectors to identify charged particles produced in heavy ion reactions. The array, which consists of eight individual detector modules and a forward hodoscope, subtends a solid angle of 0.58{pi} and covers 62% of the reaction plane in laboratory coordinates. Each of the eight identical modules has an active area which extends 13{sup 0} above and below the array plane with additional limited coverage between 13{sup 0} and 26{sup 0}. Each module measures the position, energy and velocity of charged particles over a dynamic range which extends from minium ionizing protons with energies up to 200 MeV to highly ionizing fission fragments with Coulomb-like energies. Position and time-of-flight are measured with low pressure multiwire proprotional counters (MWPC). Total energies for heavier ions are obtained from large ion chambers. Energy and position measurements for more energetic lighter ions which pass through the ion chambers are made with segmented phoswich arrays. The forward angle hodoscope is a 34-element array of phoswich detectors mounted symmetrically around the beam axis. These detectors are sensitive to beam velocity particles (E/A > 10-40 MeV/A) and capable of elemental resolution from protons to Z = 23. (orig.).

  5. Quantum dynamics of the charge transfer in C{sup +} + S at low collision energies

    Energy Technology Data Exchange (ETDEWEB)

    Chenel, Aurelie; Mangaud, Etienne; Justum, Yves; Desouter-Lecomte, Michele [Laboratoire de Chimie Physique, Bat 349, Univ-ParisSud et CNRS-UMR8000, F-91405 Orsay Cedex (France); Talbi, Dahbia [Groupe de Recherche en Astronomie et Astrophysique du Languedoc, Universite de Montpellier II et CNRS-UMR5024, Place Eugene Bataillon, F-34095 Montpellier Cedex 05 (France); Bacchus-Montabonel, Marie-Christine, E-mail: michele.desouter-lecomte@u-psud.f [Laboratoire de Spectrometrie Ionique et moleculaire, Universite de Lyon I et CNRS-UMR5579, 43 Bd du 11 Novembre 1918, F-69622 Villeurbanne Cedex (France)

    2010-12-28

    Following a recent semiclassical investigation by Bacchus-Montabonel and Talbi (2008 Chem. Phys. Lett. 467 28), the C{sup +}(2s{sup 2}2p){sup 2}P + S(3s{sup 2}3p{sup 4}){sup 3}P charge transfer process involved in the modellization of the interstellar medium chemistry and its reverse reaction are revisited by combining a wave packet approach and semiclassical dynamics in a quasimolecular approach for doublet and quartet states. New radial non-adiabatic coupling matrix elements have been calculated and the mixed treatment gives access to new precise values of the rate coefficients for the direct and reverse charge transfer processes. For this system, quantum and semiclassical results are in good agreement even at low collision kinetic energies. The dominance of the quartet states in the process is confirmed. In the quantum treatment, the collision matrix elements are extracted from wave packets by the flux method with an absorbing potential. The formation of resonances due to a centrifugal barrier is illustrated.

  6. Dust dynamics and evolution in expanding HII regions. I. Radiative drift of neutral and charged grains

    CERN Document Server

    Akimkin, V V; Pavlyuchenkov, Ya N; Wiebe, D S

    2015-01-01

    We consider dust drift under the influence of stellar radiation pressure during the pressure-driven expansion of an HII region using the chemo-dynamical model MARION. Dust size distribution is represented by four dust types: conventional polycyclic aromatic hydrocarbons (PAHs), very small grains (VSGs), big grains (BGs) and also intermediate-sized grains (ISGs), which are larger than VSGs and smaller than BGs. The dust is assumed to move at terminal velocity determined locally from the balance between the radiation pressure and gas drag. As Coulomb drag is an important contribution to the overall gas drag, we evaluate a grain charge evolution within the HII region for each dust type. BGs are effectively swept out of the HII region. The spatial distribution of ISGs within the HII region has a double peak structure, with a smaller inner peak and a higher outer peak. PAHs and VSGs are mostly coupled to the gas. The mean charge of PAHs is close to zero, so they can become neutral from time to time because of char...

  7. Charge carrier dynamics and surface plasmon interaction in gold nanorod-blended organic solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Rana, Aniket; Lochan, Abhiram; Chand, Suresh; Kumar, Mahesh; Singh, Rajiv K., E-mail: rajivsingh@nplindia.org [CSIR-National Physical Laboratory, Dr. K.S Krishnan Marg, New Delhi 110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-NPL Campus, New Delhi 110012 (India); Gupta, Neeraj [Amity Institute of Nanotechnology, Amity University, Noida, Uttar Pradesh 201301 (India); Sharma, G. D. [CSIR-National Physical Laboratory, Dr. K.S Krishnan Marg, New Delhi 110012 (India)

    2016-08-14

    The inclusion of plasmonic nanoparticles into organic solar cell enhances the light harvesting properties that lead to higher power conversion efficiency without altering the device configuration. This work defines the consequences of the nanoparticle overloading amount and energy transfer process between gold nanorod and polymer (active matrix) in organic solar cells. We have studied the hole population decay dynamics coupled with gold nanorods loading amount which provides better understanding about device performance limiting factors. The exciton and plasmon together act as an interacting dipole; however, the energy exchange between these two has been elucidated via plasmon resonance energy transfer (PRET) mechanism. Further, the charge species have been identified specifically with respect to their energy levels appearing in ultrafast time domain. The specific interaction of these charge species with respective surface plasmon resonance mode, i.e., exciton to transverse mode of oscillation and polaron pair to longitudinal mode of oscillations, has been explained. Thus, our analysis reveals that PRET enhances the carrier population density in polymer via non-radiative process beyond the concurrence of a particular plasmon resonance oscillation mode and polymer absorption range. These findings give new insight and reveal specifically the factors that enhance and control the performance of gold nanorods blended organic solar cells. This work would lead in the emergence of future plasmon based efficient organic electronic devices.

  8. Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan, E-mail: r.ramakrishnan@unibas.ch [Institute of Physical Chemistry, National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Nest, Mathias [Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)

    2015-01-13

    Highlights: • We model electron dynamics across cyano alkanethiolates attached to gold cluster. • We present electron transfer time scales from TD-DFT and TD-CI based simulations. • Both DFT and CI methods qualitatively predict the trend in time scales. • TD-CI predicts the experimental relative time scale very accurately. - Abstract: We employ wavepacket simulations based on many-body time-dependent configuration interaction (TD-CI), and single active electron theories, to predict the ultrafast molecule/metal electron transfer time scales, in cyano alkanethiolates bonded to model gold clusters. The initial states represent two excited states where a valence electron is promoted to one of the two virtual π{sup ∗} molecular orbitals localized on the cyanide fragment. The ratio of the two time scales indicate the efficiency of one charge transfer channel over the other. In both our one-and many-electron simulations, this ratio agree qualitatively with each other as well as with the previously reported experimental time scales (Blobner et al., 2012), measured for a macroscopic metal surface. We study the effect of cluster size and the description of electron correlation on the charge transfer process.

  9. Stochastic Lagrangian dynamics for charged flows in the E-F regions of ionosphere

    Science.gov (United States)

    Tang, Wenbo; Mahalov, Alex

    2013-03-01

    We develop a three-dimensional numerical model for the E-F region ionosphere and study the Lagrangian dynamics for plasma flows in this region. Our interest rests on the charge-neutral interactions and the statistics associated with stochastic Lagrangian motion. In particular, we examine the organizing mixing patterns for plasma flows due to polarized gravity wave excitations in the neutral field, using Lagrangian coherent structures (LCS). LCS objectively depict the flow topology—the extracted attractors indicate generation of ionospheric density gradients, due to accumulation of plasma. Using Lagrangian measures such as the finite-time Lyapunov exponents, we locate the Lagrangian skeletons for mixing in plasma, hence where charged fronts are expected to appear. With polarized neutral wind, we find that the corresponding plasma velocity is also polarized. Moreover, the polarized velocity alone, coupled with stochastic Lagrangian motion, may give rise to polarized density fronts in plasma. Statistics of these trajectories indicate high level of non-Gaussianity. This includes clear signatures of variance, skewness, and kurtosis of displacements taking polarized structures aligned with the gravity waves, and being anisotropic.

  10. Chaotic dynamics in charged-particle beams: Possible analogs of galactic evolution

    Energy Technology Data Exchange (ETDEWEB)

    Bohn, Courtlandt L.; /Northern Illinois U. /Fermilab

    2004-12-01

    During the last couple of years of his life, Henry Kandrup became intensely interested in using charged-particle beams as a tool for exploring the dynamics of evolving galaxies. He and I recognized that both galaxies and charged-particle beams can exhibit collisionless relaxation on surprisingly short time scales, and that this circumstance can be attributed to phase mixing of chaotic orbits. The chaos is often triggered by resonances caused by time dependence in the bulk potential, which acts almost identically for attractive gravitational forces as for repulsive electrostatic forces superposed on external focusing forces. Together we published several papers concerning evolving beams and galaxies, papers that relate to diverse topics such as the physics of chaotic mixing, the applicability of the Vlasov-Poisson formalism, and the production of diffuse halos. We also teamed with people from the University of Maryland to begin designing controlled experiments to be done at the University of Maryland Electron Ring. This paper highlights our collaborative findings as well as plans for future investigations that the findings have motivated.

  11. Optical study of charge dynamics in CaCo2As2

    Science.gov (United States)

    Wei, Zhang; Bing, Xu; Run, Yang; Jin-Yun, Liu; Hao, Yang; Xiang-Gang, Qiu

    2016-05-01

    We present an infrared spectroscopy study of charge dynamics in CaCo2As2 single crystal. In this material, the optical conductivity can be described by two Drude components with different scattering rates (1/τ): a broad incoherent background and a narrow Drude component. By monitoring the temperature dependence, we find that only the narrow Drude component is temperature-dependent and determines the transport properties. Especially a Fermi liquid behavior of carriers is revealed by the T 2 behavior in the dc resistivity ρ n and scattering rate 1/τ n , indicating a coherent nature of quasiparticles in the narrow Drude subsystem. Project supported by the National Basic Research Program of China (Grant Nos. 2012CB821400, 2012CB921302, and 2015CB921303) and the National Natural Science Foundation of China (Grants Nos. 11274237, 91121004, 51228201, and 11004238). Wei Zhang also thanks the support of the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD).

  12. Autonomous Coil Alignment System Using Fuzzy Steering Control for Electric Vehicles with Dynamic Wireless Charging

    Directory of Open Access Journals (Sweden)

    Karam Hwang

    2015-01-01

    Full Text Available An autonomous coil alignment system (ACAS using fuzzy steering control is proposed for vehicles with dynamic wireless charging. The misalignment between the power receiver coil and power transmitter coil is determined based on the voltage difference between two coils installed on the front-left/front-right of the power receiver coil and is corrected through autonomous steering using fuzzy control. The fuzzy control is chosen over other control methods for implementation in ACAS due to the nonlinear characteristic between voltage difference and lateral misalignment distance, as well as the imprecise and constantly varying voltage readings from sensors. The operational validity and feasibility of the ACAS are verified through simulation, where the vehicle equipped with ACAS is able to align with the power transmitter in the road majority of the time during operation, which also implies achieving better wireless power delivery.

  13. Charged particle dynamics in the presence of non-Gaussian L\\'evy electrostatic fluctuations

    CERN Document Server

    Moradi, Sara; Anderson, Johan

    2016-01-01

    Full orbit dynamics of charged particles in a $3$-dimensional helical magnetic field in the presence of $\\alpha$-stable L\\'evy electrostatic fluctuations and linear friction modeling collisional Coulomb drag is studied via Monte Carlo numerical simulations. The L\\'evy fluctuations are introduced to model the effect of non-local transport due to fractional diffusion in velocity space resulting from intermittent electrostatic turbulence. The probability distribution functions of energy, particle displacements, and Larmor radii are computed and showed to exhibit a transition from exponential decay, in the case of Gaussian fluctuations, to power law decay in the case of L\\'evy fluctuations. The absolute value of the power law decay exponents are linearly proportional to the L\\'evy index $\\alpha$. The observed anomalous non-Gaussian statistics of the particles' Larmor radii (resulting from outlier transport events) indicate that, when electrostatic turbulent fluctuations exhibit non-Gaussian L\\'evy statistics, gyr...

  14. Tight-binding molecular dynamics simulation of charge state effects in semiconductors

    CERN Document Server

    Khakimov, Z M; Sulaymonov, N T; Kiv, A E; Levin, A A

    2002-01-01

    New model of Si-H bond dissociation has been proposed and tested in the cluster Si sub 1 sub 0 H sub 1 sub 6 by the simulation approach that combines classical molecular dynamics method and the self-consistent tight-binding electronic and total energy calculation one. It is shown that the monohydride Si-H bond is unstable with respect to formation of silicon dangling bond and bend bridge Si-H-Si bond when this cluster traps the single positive charge. In this case hydrogen atom migrates rather rotating around Si-Si bond than crossing the center of this bond (the bond-centered position). The model can be useful for understanding hydrogen related phenomena at surfaces, interfaces, internal voids of various hydrogenated silicon systems: electronic devices, silicon solar cells, and nanocrystalline and porous silicon. (author)

  15. A Multimedia Tutorial for Charged-Particle Beam Dynamics. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Silbar, Richard R.

    1999-07-26

    In September 1995 WhistleSoft, Inc., began developing a computer-based multimedia tutorial for charged-particle beam dynamics under Phase II of a Small Business Innovative Research grant from the U.S. Department of Energy. In Phase I of this project (see its Final Report) we had developed several prototype multimedia modules using an authoring system on NeXTStep computers. Such a platform was never our intended target, and when we began Phase II we decided to make the change immediately to develop our tutorial modules for the Windows and Macintosh microcomputer market. This Report details our progress and accomplishments. It also gives a flavor of the look and feel of the presently available and upcoming modules.

  16. Dynamic wireless charging of electric vehicles on the move with Mobile Energy Disseminators

    Directory of Open Access Journals (Sweden)

    Leandros A. Maglaras

    2015-06-01

    Full Text Available Dynamic wireless charging of electric vehicles (EVs is becoming a preferred method since it enables power exchange between the vehicle and the grid while the vehicle is moving. In this article, we present mobile energy disseminators (MED, a new concept, that can facilitate EVs to extend their range in a typical urban scenario. Our proposed method exploits Inter-Vehicle (IVC communications in order to eco-route electric vehicles taking advantage of the existence of MEDs. Combining modern communications between vehicles and state of the art technologies on energy transfer, vehicles can extend their travel time without the need for large batteries or extremely costly infrastructure. Furthermore, by applying intelligent decision mechanisms we can further improve the performance of the method.

  17. Structural and dynamical properties of hydrogen fluoride in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics simulation.

    Science.gov (United States)

    Kritayakornupong, Chinapong; Vchirawongkwin, Viwat; Hofer, Thomas S; Rode, Bernd M

    2008-09-25

    The novel ab initio quantum mechanical charge field (QMCF) molecular dynamics simulation at the Hartree-Fock level has been employed to investigate hydration structure and dynamics of hydrogen fluoride in aqueous solution. The average H-F bond length of 0.93 A obtained from the QMCF MD simulation is in good agreement with the experimental data. The HHF...Ow distance of 1.62 A was evaluated for the first hydration shell, and 2.00 A was observed for the FHF...Hw distance. The stability of hydrogen bonding is more pronounced in the hydrogen site of hydrogen fluoride, with a single water molecule in this part of the first hydration shell. A wide range of coordination numbers between 3 and 9 with an average value of 5.6 was obtained for the fluorine site. The force constants of 819.1 and 5.9 N/m were obtained for the HHF-FHF and HHF...Ow interactions, respectively, proving the stability of the nondissociated form of hydrogen fluoride in aqueous solution. The mean residence times of 2.1 and 2.5 ps were determined for ligand exchange processes in the neighborhood of fluorine and hydrogen atoms of hydrogen fluoride, respectively, indicating a weak structure-making effect of hydrogen fluoride in water. The corresponding H-bond lifetimes attribute this effect to the H atom site of HF.

  18. Explicit symplectic algorithms based on generating functions for relativistic charged particle dynamics in time-dependent electromagnetic field

    CERN Document Server

    Zhang, Ruili; He, Yang; Xiao, Jianyuan; Liu, Jian; Qin, Hong; Tang, Yifa

    2016-01-01

    Relativistic dynamics of a charged particle in time-dependent electromagnetic fields has theoretical significance and a wide range of applications. It is often multi-scale and requires accurate long-term numerical simulations using symplectic integrators. For modern large-scale particle simulations in complex, time-dependent electromagnetic field, explicit symplectic algorithms are much more preferable. In this paper, we treat the relativistic dynamics of a particle as a Hamiltonian system on the cotangent space of the space-time, and construct for the first time explicit symplectic algorithms for relativistic charged particles of order 2 and 3 using the sum-split technique and generating functions.

  19. Generalized Courant-Snyder theory for coupled transverse dynamics of charged particles in electromagnetic focusing lattices

    Directory of Open Access Journals (Sweden)

    Hong Qin

    2009-06-01

    Full Text Available The Courant-Snyder theory gives a complete description of the uncoupled transverse dynamics of charged particles in electromagnetic focusing lattices. In this paper, the Courant-Snyder theory is generalized to the case of coupled transverse dynamics with two degrees of freedom. The generalized theory has the same structure as the original Courant-Snyder theory for one degree of freedom. The four basic components of the original Courant-Snyder theory, i.e., the envelope equation, phase advance, transfer matrix, and the Courant-Snyder invariant, all have their counterparts, with remarkably similar expressions, in the generalized theory presented here. In the generalized theory, the envelope function is generalized into an envelope matrix, and the envelope equation becomes a matrix envelope equation with matrix operations that are noncommutative. The generalized theory gives a new parametrization of the 4D symplectic transfer matrix that has the same structure as the parametrization of the 2D symplectic transfer matrix in the original Courant-Snyder theory. All of the parameters used in the generalized Courant-Snyder theory correspond to physical quantities of importance, and this parametrization can provide a valuable framework for accelerator design and particle simulation studies. A time-dependent canonical transformation is used to develop the generalized Courant-Snyder theory. Applications of the new theory to strongly and weakly coupled dynamics are given. It is shown that the stability of coupled dynamics can be determined by the generalized phase advance developed. Two stability criteria are given, which recover the known results about sum and difference resonances in the weakly coupled limit.

  20. Long-lived charge carrier dynamics in polymer/quantum dot blends and organometal halide perovskites

    Science.gov (United States)

    Nagaoka, Hirokazu

    Solution-processable semiconductors offer a potential route to deploy solar panels on a wide scale, based on the possibility of reduced manufacturing costs by using earth-abundant materials and inexpensive production technologies, such as inkjet or roll-to-roll printing. Understanding the fundamental physics underlying device operation is important to realize this goal. This dissertation describes studies of two kinds of solar cells: hybrid polymer/PbS quantum dot solar cells and organometal halide perovskite solar cells. Chapter two discusses details of the experimental techniques. Chapter three and four explore the mechanisms of charge transfer and energy transfer spectroscopically, and find that both processes contribute to the device photocurrent. Chapter four investigates the important question of how the energy level alignment of quantum dot acceptors affects the operation of hybrid polymer/quantum dot solar cells, by making use of the size-tunable energy levels of PbS quantum dots. We observe that long-lived charge transfer yield is diminished at larger dot sizes as the energy level offset at the polymer/quantum dot interface is changed through decreasing quantum confinement using a combination of spectroscopy and device studies. Chapter five discusses the effects of TiO2 surface chemistry on the performance of organometal halide perovskite solar cells. Specifically, chapter five studies the effect of replacing the conventional TiO2 electrode with Zr-doped TiO2 (Zr-TiO2). We aim to explore the correlation between charge carrier dynamics and device studies by incorporating zirconium into TiO2. We find that, compared to Zr-free controls, solar cells employing Zr-TiO2 give rise to an increase in overall power conversion efficiency, and a decrease in hysteresis. We also observe longer carrier lifetimes and higher charge carrier densities in devices on Zr-TiO2 electrodes at microsecond times in transient photovoltage experiments, as well as at longer persistent

  1. Thermal fluid dynamic behavior of coolant helium gas in a typical reactor VHTGR channel of prismatic core; Comportamento termofluidodinamico do gas refrigerante helio em um canal topico de reator VHTGR de nucleo prismatico

    Energy Technology Data Exchange (ETDEWEB)

    Belo, Allan Cavalcante

    2016-08-01

    The current studies about the thermal fluid dynamic behavior of the VHTGR core reactors of 4{sup th} generation are commonly developed in 3-D analysis in CFD (computational fluid dynamics), which often requires considerable time and complex mathematical calculations for carrying out these analysis. The purpose of this project is to achieve thermal fluid dynamic analysis of flow of gas helium refrigerant in a typical channel of VHTGR prismatic core reactor evaluating magnitudes of interest such as temperature, pressure and fluid velocity and temperature distribution in the wall of the coolant channel from the development of a computer code in MATLAB considering the flow on one-dimensional channel, thereby significantly reducing the processing time of calculations. The model uses three different references to the physical properties of helium: expressions given by the KTA (German committee of nuclear safety standards), the computational tool REFPROP and a set of constant values for the entire channel. With the use of these three references it is possible to simulate the flow treating the gas both compressible and incompressible. The results showed very close values for the interest quantities and revealed that there are no significant differences in the use of different references used in the project. Another important conclusion to be observed is the independence of helium in the gas compressibility effects on thermal fluid dynamic behavior. The study also indicated that the gas undergoes no severe effects due to high temperature variations in the channel, since this goes in the channel at 914 K and exits at approximately 1263 K, which shows the excellent use of helium as a refrigerant fluid in reactor channels VHTGR. The comparison of results obtained in this work with others in the literature served to confirm the effectiveness of the one-dimensional consideration of method of gas flow in the coolant channel to replace the models made in 3-D for the pressure range

  2. Excited-state dynamics of hybrid multichromophoric systems: toward an excitation wavelength control of the charge separation pathways.

    Science.gov (United States)

    Banerji, Natalie; Duvanel, Guillaume; Perez-Velasco, Alejandro; Maity, Santanu; Sakai, Naomi; Matile, Stefan; Vauthey, Eric

    2009-07-23

    The photophysical properties of two hybrid multichromophoric systems consisting of an oligophenylethynyl (OPE) scaffold decorated by 10 red or blue naphthalene diimides (NDIs) have been investigated using femtosecond spectroscopy. Ultrafast charge separation was observed with both red and blue systems. However, the nature of the charge-separated state and its lifetime were found to differ substantially. For the red system, electron transfer occurs from the OPE scaffold to an NDI unit, independently of whether the OPE or an NDI is initially excited. However, charge separation upon OPE excitation is about 10 times faster, and takes place with a 100 fs time constant. The average lifetime of the ensuing charge-separated state amounts to about 650 ps. Charge separation in the blue system depends on which of the OPE scaffold or an NDI is excited. In the first case, an electron is transferred from the OPE to an NDI and the hole subsequently shifts to another NDI unit, whereas in the second case symmetry-breaking charge separation between two NDI units occurs. Although the charges are located on two NDIs in both cases, different recombination dynamics are observed. This is explained by the location of the ionic NDI moieties that depends on the charge separation pathway, hence on the excitation wavelength. The very different dynamics observed with red and blue systems can be accounted for by the oxidation potentials of the respective NDIs that are higher and lower than that of the OPE scaffold. Because of this, the relative energies of the two charge-separated states (hole on the OPE or an NDI) are inverted.

  3. System dynamic model and charging control of lead-acid battery for stand-alone solar PV system

    KAUST Repository

    Huang, B.J.

    2010-05-01

    The lead-acid battery which is widely used in stand-alone solar system is easily damaged by a poor charging control which causes overcharging. The battery charging control is thus usually designed to stop charging after the overcharge point. This will reduce the storage energy capacity and reduce the service time in electricity supply. The design of charging control system however requires a good understanding of the system dynamic behaviour of the battery first. In the present study, a first-order system dynamics model of lead-acid battery at different operating points near the overcharge voltage was derived experimentally, from which a charging control system based on PI algorithm was developed using PWM charging technique. The feedback control system for battery charging after the overcharge point (14 V) was designed to compromise between the set-point response and the disturbance rejection. The experimental results show that the control system can suppress the battery voltage overshoot within 0.1 V when the solar irradiation is suddenly changed from 337 to 843 W/m2. A long-term outdoor test for a solar LED lighting system shows that the battery voltage never exceeded 14.1 V for the set point 14 V and the control system can prevent the battery from overcharging. The test result also indicates that the control system is able to increase the charged energy by 78%, as compared to the case that the charging stops after the overcharge point (14 V). © 2010 Elsevier Ltd. All rights reserved.

  4. Numerical simulation of charging of an absorbing sphere in collisionless plasmas: asymptotics and trapped particle dynamics.

    Science.gov (United States)

    Kiselyov, Alexander; Dolgonosov, Maxim; Krasovsky, Victor

    It is very important to determine the form of trapped particle distribution function in the problem of plasma disturbance by a spherical absorbing body. There are two ways of solving this problem: stability analysis of the physical system or examination of initial value problem. In this work the second method has been chosen. The physical system under consideration can be described by Poisson-Vlasov equations. In the initial moment of time the absorbing sphere appears in collisionless plasma. Distribution functions for electrons and ions are assumed to be monoenergetic at the start. The aim of the study is to observe plasma dynamics at long times and to determine the steady state of the plasma. Numerical simulation is based on PIC ("particles-in-cell") method. Spherical symmetry of the problem is widely employed to simplify model and reduce calculation count. It allows to treat charged particle dynamics as a motion with one degree of freedom, while the problem as a whole remains three-dimensional. This gives an opportunity to use moderate computational resources. A massively parallel code using GPGPU and OpenCL technologies has been developed, as well as auxiliary utilities for testing, result processing and representation. As a result, spatial and temporal plasma characteristics near absorbing sphere have been obtained. Formation of trapped ion bunch in the vicinity of the sphere has been observed on the phase plane while approaching equilibrium state.

  5. Ordinary-extraordinary transition in dynamics of solutions of charged macromolecules.

    Science.gov (United States)

    Muthukumar, Murugappan

    2016-10-24

    The occurrence of the ubiquitous and intriguing "ordinary-extraordinary" behavior of dynamics in solutions of charged macromolecules is addressed theoretically by explicitly considering counterions around the macromolecules. The collective and coupled dynamics of macromolecules and their counterion clouds in salt-free conditions are shown to lead to the "ordinary" behavior (also called the "fast" mode) where diffusion coefficients are independent of molar mass and polymer concentration and are comparable to those of isolated metallic ions in aqueous media, in agreement with experimental facts observed repeatedly over the past four decades. The dipoles arising from adsorbed counterions on polymer backbones can form many pairwise physical cross-links, leading to microgel-like aggregates. Balancing the swelling from excluded volume effects and counterion pressure with elasticity of the microgel, we show that there is a threshold value of a combination of polymer concentration and electrolyte concentration for the occurrence of the "extraordinary" phase (also called the "slow" mode) and the predicted properties of diffusion coefficient for this phase are in qualitative agreement with well-known experimental data.

  6. Excitation of the dynamical dipole in the charge asymmetric reaction 16O + 116Sn

    Science.gov (United States)

    Corsi, A.; Wieland, O.; Kravchuk, V. L.; Bracco, A.; Camera, F.; Benzoni, G.; Blasi, N.; Brambilla, S.; Crespi, F. C. L.; Giussani, A.; Leoni, S.; Million, B.; Montanari, D.; Moroni, A.; Gramegna, F.; Lanchais, A.; Mastinu, P.; Brekiesz, M.; Kmiecik, M.; Maj, A.; Bruno, M.; D'Agostino, M.; Geraci, E.; Vannini, G.; Barlini, S.; Casini, G.; Chiari, M.; Nannini, A.; Ordine, A.; Di Toro, M.; Rizzo, C.; Colonna, M.; Baran, V.

    2009-08-01

    The γ-ray emission from the dynamical dipole formed in heavy-ion collisions during the process leading to fusion was measured for the N/Z asymmetric reaction 16O + 116Sn at beam energies of 8.1 and 15.6 MeV/nucleon. High-energy γ-rays and charged particles were measured in coincidence with the heavy recoiling residual nuclei. The data are compared with those from the N/Z symmetric reaction 64Ni + 68Zn at bombarding energies of 4.7 and 7.8 MeV/nucleon, leading to the same CN with the same excitation energies as calculated from kinematics. The measured yield of the high-energy γ-rays from the 16O-induced reaction is found to exceed that of the thermalized CN and the excess yield increases with bombarding energy. The data are in rather good agreement with the predictions for the dynamical dipole emission based on the Boltzmann-Nordheim-Vlasov model. In addition, a comparison with existing data in the same mass region is performed to extract information on the dipole moment dependence.

  7. An ab initio quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solution.

    Science.gov (United States)

    Kritayakornupong, Chinapong; Vchirawongkwin, Viwat; Rode, Bernd M

    2010-06-01

    An ab initio quantum mechanical charge field (QMCF) molecular dynamics simulation has been performed to study the structural and dynamical properties of a dilute aqueous HCl solution. The solute molecule HCl and its surrounding water molecules were treated at Hartree-Fock level in conjunction with Dunning double-zeta plus polarization function basis sets. The simulation predicts an average H-Cl bond distance of 1.28 A, which is in good agreement with the experimental value. The H(HCl)...O(w) and Cl(HCl)...H(w) distances of 1.84 and 3.51 A were found for the first hydration shell. At the hydrogen site of HCl, a single water molecule is the most preferred coordination, whereas an average coordination number of 12 water molecules of the full first shell was observed for the chloride site. The hydrogen bonding at the hydrogen site of HCl is weakened by proton transfer reactions and an associated lability of ligand binding. Two proton transfer processes were observed in the QMCF MD simulation, demonstrating acid dissociation of HCl. A weak structure-making/breaking effect of HCl in water is recognized from the mean residence times of 2.1 and 0.8 ps for ligands in the neighborhood of Cl and H sites of HCl, respectively. Copyright 2009 Wiley Periodicals, Inc.

  8. Hydration of the cyanide ion: an ab initio quantum mechanical charge field molecular dynamics study.

    Science.gov (United States)

    Moin, Syed Tarique; Hofer, Thomas S

    2014-12-21

    This paper presents an ab initio quantum mechanical charge field molecular dynamics simulation study of the cyanide anion (CN(-)) in aqueous solution where hydrogen bond formation plays a dominant role in the hydration process. Preferential orientation of water hydrogens compared to oxygen atoms was quantified in terms of radial, angular as well as coordination number distributions. All structural results indicate that the water hydrogens are attracted towards CN(-) atoms, thus contributing to the formation of the hydration layer. Moreover, a clear picture of the local arrangement of water molecules around the ellipsoidal CN(-) ion is provided via angular-radial distribution and spatial distribution functions. Apart from the structural analysis, the evaluation of water dynamics in terms of ligand mean residence times and H-bond correlation functions indicates the weak structure making capacity of the CN(-) ion. The similar values of H-bond lifetimes obtained for the NHwat and CHwat bonds indicate an isokinetic behaviour of these H-bonds, since there is a very small difference in the magnitude of the lifetimes. On the other hand, the H-bond lifetimes between water molecules of the hydration shell, and between solute and solvent evidence the slightly stable hydration of the CN(-). Overall, the H-bonding dominates in the hydration process of the cyanide anion enabling it to become soluble in the aqueous environment associated to chemical and biological processes.

  9. Excitation of the dynamical dipole in the charge asymmetric reaction {sup 16}O + {sup 116}Sn

    Energy Technology Data Exchange (ETDEWEB)

    Corsi, A. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy); Wieland, O. [INFN Sezione di Milano, Milano (Italy); Kravchuk, V.L. [Laboratori Nazionali INFN di Legnaro, Legnaro (Italy); Bracco, A. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy); Camera, F. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy)], E-mail: franco.camera@mi.infn.it; Benzoni, G.; Blasi, N.; Brambilla, S. [INFN Sezione di Milano, Milano (Italy); Crespi, F.C.L.; Giussani, A.; Leoni, S. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy); Million, B. [INFN Sezione di Milano, Milano (Italy); Montanari, D.; Moroni, A. [Dipartimento di Fisica, Universita di Milano, Milano (Italy); INFN Sezione di Milano, Milano (Italy); Gramegna, F.; Lanchais, A.; Mastinu, P. [Laboratori Nazionali INFN di Legnaro, Legnaro (Italy); Brekiesz, M.; Kmiecik, M.; Maj, A. [Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, Krakow (Poland)] (and others)

    2009-08-24

    The {gamma}-ray emission from the dynamical dipole formed in heavy-ion collisions during the process leading to fusion was measured for the N/Z asymmetric reaction {sup 16}O + {sup 116}Sn at beam energies of 8.1 and 15.6 MeV/nucleon. High-energy {gamma}-rays and charged particles were measured in coincidence with the heavy recoiling residual nuclei. The data are compared with those from the N/Z symmetric reaction {sup 64}Ni + {sup 68}Zn at bombarding energies of 4.7 and 7.8 MeV/nucleon, leading to the same CN with the same excitation energies as calculated from kinematics. The measured yield of the high-energy {gamma}-rays from the {sup 16}O-induced reaction is found to exceed that of the thermalized CN and the excess yield increases with bombarding energy. The data are in rather good agreement with the predictions for the dynamical dipole emission based on the Boltzmann-Nordheim-Vlasov model. In addition, a comparison with existing data in the same mass region is performed to extract information on the dipole moment dependence.

  10. Field enhanced charge carrier reconfiguration in electronic and ionic coupled dynamic polymer resistive memory

    Energy Technology Data Exchange (ETDEWEB)

    Zhao Junhui; Thomson, Douglas J; Freund, Michael S [Department of Electrical and Computer Engineering, University of Manitoba, Winnipeg, MB (Canada); Pilapil, Matt; Pillai, Rajesh G; Aminur Rahman, G M, E-mail: thomson@ee.umanitoba.ca, E-mail: michael_freund@umanitoba.ca [Department of Chemistry, University of Manitoba, Winnipeg, MB (Canada)

    2010-04-02

    Dynamic resistive memory devices based on a conjugated polymer composite (PPy{sup 0}DBS{sup -}Li{sup +} (PPy: polypyrrole; DBS{sup -}: dodecylbenzenesulfonate)), with field-driven ion migration, have been demonstrated. In this work the dynamics of these systems has been investigated and it has been concluded that increasing the applied field can dramatically increase the rate at which information can be 'written' into these devices. A conductance model using space charge limited current coupled with an electric field induced ion reconfiguration has been successfully utilized to interpret the experimentally observed transient conducting behaviors. The memory devices use the rising and falling transient current states for the storage of digital states. The magnitude of these transient currents is controlled by the magnitude and width of the write/read pulse. For the 500 nm length devices used in this work an increase in 'write' potential from 2.5 to 5.5 V decreased the time required to create a transient conductance state that can be converted into the digital signal by 50 times. This work suggests that the scaling of these devices will be favorable and that 'write' times for the conjugated polymer composite memory devices will decrease rapidly as ion driving fields increase with decreasing device size.

  11. Beam dynamics in a rebunching CH cavity with high space charge

    Energy Technology Data Exchange (ETDEWEB)

    Schwarz, Malte; Heilmann, Manuel; Meusel, Oliver; Noll, Daniel; Podlech, Holger; Ratzinger, Ulrich; Seibel, Anja [Institute for Applied Physics, Goethe-University, Frankfurt am Main (Germany)

    2013-07-01

    The Frankfurt Neutron Source at the Stern-Gerlach-Zentrum (FRANZ) will provide ultra short neutron pulses at high intensities and repetition rates. The facility is under construction with expected first beam in 2013. It will allow research on nucleosynthesis of elements in stars by the s-process as well as on neutron capture cross sections for activation experiments providing knowledge gain on transmutation of radioactive waste and fusion reactor materials. The 5-gap CH rebuncher is installed behind a coupled RFQ/IH-DTL combination and completes the LINAC section. It will be used for varying the output energy between 1.8 and 2.2 MeV as well as for focusing the proton beam bunch longitudinally to compensate the huge space charge forces at high currents up to 200 mA. Therefore beam dynamics and beam transport performance research on this CH cavity is under progress. It includes benchmarking of different beam dynamic codes like LORASR, TraceWin and a new particle-in-cell tracking code for non-relativistic beams currently under development at IAP as well as validation of the results by measurements. Furthermore, this CH rebuncher serves as prototype for CH cavity operation at MYRRHA (Mol, Belgium), an Accelerator Driven System (ADS) for transmutation of high level nuclear waste.

  12. Advances in Helium Cryogenics

    Science.gov (United States)

    Sciver, S. W. Van

    This review provides a survey of major advances that have occurred in recent years in the area of helium cryogenics. Helium-temperature cryogenics is the enabling technology for a substantial and growing number of low-temperature systems from superconducting magnets to space-based experimental facilities. In recent years there have been many advances in the technology of low-temperature helium, driven mostly by new applications. However, to keep the review from being too broad, this presentation focuses mainly on three of the most significant advances. These are: (1) the development of large-scale recuperative refrigeration systems mainly for superconducting magnet applications in accelerators and other research facilities; (2) the use of stored superfluid helium (He II) as a coolant for spacebased astrophysics experiments; and (3) the application of regenerative cryocoolers operating at liquid helium temperatures primarily for cooling superconducting devices. In each case, the reader should observe that critical technologies were developed to facilitate these applications. In addition to these three primary advances, other significant helium cryogenic technologies are briefly reviewed at the end of this chapter, along with some vision for future developments in these areas.

  13. Charge and spin dynamics driven by ultrashort extreme broadband pulses: A theory perspective

    Science.gov (United States)

    Moskalenko, Andrey S.; Zhu, Zhen-Gang; Berakdar, Jamal

    2017-02-01

    This article gives an overview on recent theoretical progress in controlling the charge and spin dynamics in low-dimensional electronic systems by means of ultrashort and ultrabroadband electromagnetic pulses. A particular focus is put on sub-cycle and single-cycle pulses and their utilization for coherent control. The discussion is mostly limited to cases where the pulse duration is shorter than the characteristic time scales associated with the involved spectral features of the excitations. The relevant current theoretical knowledge is presented in a coherent, pedagogic manner. We work out that the pulse action amounts in essence to a quantum map between the quantum states of the system at an appropriately chosen time moment during the pulse. The influence of a particular pulse shape on the post-pulse dynamics is reduced to several integral parameters entering the expression for the quantum map. The validity range of this reduction scheme for different strengths of the driving fields is established and discussed for particular nanostructures. Acting with a periodic pulse sequence, it is shown how the system can be steered to and largely maintained in predefined states. The conditions for this nonequilibrium sustainability are worked out by means of geometric phases, which are identified as the appropriate quantities to indicate quasistationarity of periodically driven quantum systems. Demonstrations are presented for the control of the charge, spin, and valley degrees of freedom in nanostructures on picosecond and subpicosecond time scales. The theory is illustrated with several applications to one-dimensional semiconductor quantum wires and superlattices, double quantum dots, semiconductor and graphene quantum rings. In the case of a periodic pulsed driving the influence of the relaxation and decoherence processes is included by utilizing the density matrix approach. The integrated and time-dependent spectra of the light emitted from the driven system deliver

  14. Low-Energy Charge and Spin Dynamics in Quantum Confined Systems

    Science.gov (United States)

    Rice, William D.

    Condensed matter systems exhibit a variety of dynamical phenomena at low energy scales, from gigahertz (GHz) to terahertz (THz) frequencies in particular, arising from complex interplay between charge, spin, and lattice. A large number of collective and elementary excitations in solids occur in this frequency range, which are further modified and enriched by scattering, interactions, and disorder. Recent advancements in spectroscopic methods for probing low-energy dynamics allow us to investigate novel aspects of charge and spin dynamics in solids. In this dissertation work, we used direct current (DC) conductivity, GHz, THz, and mid-infrared (MIR) techniques to provide significant new insights into interaction and disorder effects in low-dimensional systems. Specifically, we have studied temperature-dependent magnetoresistance (MR) and electron spin resonance (ESR) in single-wall carbon nanotubes (SWCNTs), intra-exciton scattering in InGaAs quantum wells, and high-field MIR-induced band gaps in graphene. Temperature-dependent resistance and MR were measured in an ensemble of SWCNTs from 0.3 to 350 K. The resistance temperature behavior followed a 3D variable range hopping (VRH) behavior from 0.3 to ˜100 K. A positive MR was observed at temperatures above 25 K and could be fit with a spin-dependent VRH model; negative MR was seen at low temperatures. In the GHz regime, the ESR linewidth for SWCNTs was observed to narrow by as much as 50% as the temperature was increased from 3 to 300 K, a phenomenon known as motional narrowing, suggesting that we are detecting the ESR of hopping spins. From the linewidth change versus temperature, we find the hopping frequency to be 285 GHz. For excitons in InGaAs quantum wells, we demonstrate the manipulation of intra-excitonic populations using intense, narrow-band THz pulses. The THz radiation temporarily quenches the 1s emission, which is then followed by an enhancement and subsequent decay of 2s emission. After the quenching

  15. Charge Identification of Highly Ionizing Particles in Desensitized Nuclear Emulsion Using High Speed Read-Out System

    Energy Technology Data Exchange (ETDEWEB)

    Toshito, T.; Kodama, K.; Yusa, K.; Ozaki, M.; Amako, K.; Kameoka, S.; Murakami, K.; Sasaki, T.; Aoki, S.; Ban, T.; Fukuda, T.; Naganawa, N.; Nakamura, T.; Natsume, M.; Niwa, K.; Takahashi, S.; Kanazawa, M.; Kanematsu, N.; Komori, M.; Sato, S.; Asai, M.; /Nagoya U. /Aichi U. of Education /Gunma U., Maebashi /JAXA, Sagamihara /KEK, Tsukuba /Kobe

    2006-05-10

    We performed an experimental study of charge identification of heavy ions from helium to carbon having energy of about 290 MeV/u using an emulsion chamber. Emulsion was desensitized by means of forced fading (refreshing) to expand a dynamic range of response to highly charged particles. For the track reconstruction and charge identification, the fully automated high speed emulsion read-out system, which was originally developed for identifying minimum ionizing particles, was used without any modification. Clear track by track charge identification up to Z=6 was demonstrated. The refreshing technique has proved to be a powerful technique to expand response of emulsion film to highly ionizing particles.

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

    Science.gov (United States)

    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.

  17. Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation.

    Science.gov (United States)

    Reif, Maria M; Oostenbrink, Chris

    2014-01-30

    The calculation of binding free energies of charged species to a target molecule is a frequently encountered problem in molecular dynamics studies of (bio-)chemical thermodynamics. Many important endogenous receptor-binding molecules, enzyme substrates, or drug molecules have a nonzero net charge. Absolute binding free energies, as well as binding free energies relative to another molecule with a different net charge will be affected by artifacts due to the used effective electrostatic interaction function and associated parameters (e.g., size of the computational box). In the present study, charging contributions to binding free energies of small oligoatomic ions to a series of model host cavities functionalized with different chemical groups are calculated with classical atomistic molecular dynamics simulation. Electrostatic interactions are treated using a lattice-summation scheme or a cutoff-truncation scheme with Barker-Watts reaction-field correction, and the simulations are conducted in boxes of different edge lengths. It is illustrated that the charging free energies of the guest molecules in water and in the host strongly depend on the applied methodology and that neglect of correction terms for the artifacts introduced by the finite size of the simulated system and the use of an effective electrostatic interaction function considerably impairs the thermodynamic interpretation of guest-host interactions. Application of correction terms for the various artifacts yields consistent results for the charging contribution to binding free energies and is thus a prerequisite for the valid interpretation or prediction of experimental data via molecular dynamics simulation. Analysis and correction of electrostatic artifacts according to the scheme proposed in the present study should therefore be considered an integral part of careful free-energy calculation studies if changes in the net charge are involved.

  18. Hydrodynamic simulations of the core helium flash

    CERN Document Server

    Mocak, M; Weiss, A; Kifonidis, K; 10.1017/S1743921308022813

    2009-01-01

    We describe and discuss hydrodynamic simulations of the core helium flash using an initial model of a 1.25 M_sol star with a metallicity of 0.02 near at its peak. Past research concerned with the dynamics of the core helium flash is inconclusive. Its results range from a confirmation of the standard picture, where the star remains in hydrostatic equilibrium during the flash (Deupree 1996), to a disruption or a significant mass loss of the star (Edwards 1969; Cole & Deupree 1980). However, the most recent multidimensional hydrodynamic study (Dearborn 2006) suggests a quiescent behavior of the core helium flash and seems to rule out an explosive scenario. Here we present partial results of a new comprehensive study of the core helium flash, which seem to confirm this qualitative behavior and give a better insight into operation of the convection zone powered by helium burning during the flash. The hydrodynamic evolution is followed on a computational grid in spherical coordinates using our new version of th...

  19. Theory for charge states of energetic oxygen ions in the earth's radiation belts

    Science.gov (United States)

    Spjeldvik, W. N.; Fritz, T. A.

    1978-01-01

    Fluxes of geomagnetically trapped energetic oxygen ions have been studied in detail. Ion distributions in radial locations below the geostationary orbit, energy spectra between 1 keV and 100 MeV, and the distribution over charge states have been computed for equatorially mirroring ions. Both ionospheric and solar wind oxygen ion sources have been considered, and it is found that the charge state distributions in the interior of the radiation belts are largely independent of the charge state characteristics of the sources. In the MeV range, oxygen ions prove to be a more sensitive probe for radiation belt dynamics than helium ions and protons.

  20. Charge transfer reactions at interfaces between neutral gas and plasma: Dynamical effects and X-ray emission

    Science.gov (United States)

    Provornikova, E.; Izmodenov, V. V.; Lallement, R.

    2012-04-01

    Charge-transfer is the main process linking neutrals and charged particles in the interaction regions of neutral (or partly ionized) gas with a plasma. In this paper we illustrate the importance of charge-transfer with respect to the dynamics and the structure of neutral gas-plasma interfaces. We consider the following phenomena: (1) the heliospheric interface - region where the solar wind plasma interacts with the partly-ionized local interstellar medium (LISM) and (2) neutral interstellar clouds embedded in a hot, tenuous plasma such as the million degree gas that fills the so-called ``Local Bubble". In (1), we discuss several effects in the outer heliosphere caused by charge exchange of interstellar neutral atoms and plasma protons. In (2) we describe the role of charge exchange in the formation of a transition region between the cloud and the surrounding plasma based on a two-component model of the cloud-plasma interaction. In the model the cloud consists of relatively cold and dense atomic hydrogen gas, surrounded by hot, low density, fully ionized plasma. We discuss the structure of the cloud-plasma interface and the effect of charge exchange on the lifetime of interstellar clouds. Charge transfer between neutral atoms and minor ions in the plasma produces X-ray emission. Assuming standard abundances of minor ions in the hot gas surrounding the cold interstellar cloud, we estimate the X-ray emissivity consecutive to the charge transfer reactions. Our model shows that the charge-transfer X-ray emission from the neutral cloud-plasma interface may be comparable to the diffuse thermal X-ray emission from the million degree gas cavity itself.

  1. Studies on the effects of helium on the microstructural evolution of V-3.8Cr-3.9Ti

    Energy Technology Data Exchange (ETDEWEB)

    Doraiswamy, N.; Kestel, B.; Alexander, D.E. [Argonne National Labs., IL (United States)

    1997-04-01

    The favorable physical and mechanical properties of V-3.8Cr-3.9Ti (wt.%), when subjected to neutron irradiation, has lead to considerable attention being focused on it for use in fusion reactor structural applications. However, there is limited data on the effects of helium on physical and mechanical properties of this alloy. Understanding these effects are important since helium will be generated by direct {alpha}-injection or transmutation reactions in the fusion environment, typically at a rate of {approx}5 appm He/dpa. Helium has been shown to cause substantial embrittlement, even at room temperature in vanadium and its alloys. Recent simulations of the fusion environment using the Dynamic Helium Charging Experiments (DHCE) have also indicated that the mechanical properties of vanadium alloys are altered by the presence of helium in post irradiation tests performed at room temperature. While the strengths were lower, room temperature ductilities of the DHCE specimens were higher than those of non-DHCE specimens. These changes have been attributed to the formation of different types of hardening centers in these alloys due to He trapping. Independent thermal desorption experiments suggest that these hardening centers may be associated with helium-vacancy-X (where X = O, N, and C) complexes. These complexes are stable below 290{degrees}C and persist at room temperature. However, there has been no direct microstructural evidence correlating the complexes with irradiation effects. An examination of the irradiation induced microstructure in samples preimplanted with He to different levels would enable such a correlation.

  2. Helium transport in the core and stochastic edge layer in LHD

    Science.gov (United States)

    Ida, K.; Yoshinuma, M.; Goto, M.; Schmitz, O.; Dai, S.; Bader, A.; Kobayashi, M.; Kawamura, G.; Moon, C.; Nakamura, Y.; The LHD Experiment Group

    2016-07-01

    Radial profiles of the density ratio of helium to hydrogen ions are measured using charge exchange spectroscopy with a two-wavelength spectrometer in the large helical device. Helium transport at the last closed flux surface (LCFS) and stochastic magnetic field layer outside the LCFS as well as in the core plasma is studied for a wide range of helium fractions, i.e. from hydrogen-dominated plasmas up to helium-dominated plasmas. The helium density profile becomes more peaked and inward convection velocity increases in the hydrogen-dominant plasma, while it becomes flat or hollow and the convection velocity is in the outward direction in the helium-dominant plasmas. The density gradient of helium at the LCFS is twice that of hydrogen and becomes steeper as the hydrogen becomes more dominant.

  3. Cosmic Ray Helium Hardening

    CERN Document Server

    Ohira, Yutaka

    2010-01-01

    Recent observations by CREAM, ATIC-2 and PAMELA experiments suggest that (1) the spectrum of cosmic ray (CR) helium is harder than that of CR proton below the knee $10^15 eV$ and (2) all CR spectra become hard at $\\gtrsim 10^{11} eV/n$. We propose a new picture that higher energy CRs are generated in more helium-rich region to explain the hardening (1) without introducing different sources for CR helium. The helium to proton ratio at $\\sim 100$ TeV exceeds the Big Bang abundance $Y=0.25$ by several times, and the different spectrum is not reproduced within the diffusive shock acceleration theory. We argue that CRs are produced in the chemically enriched region, such as a superbubble, and the outward-decreasing abundance naturally leads to the hard spectrum of CR helium when escaping from the supernova remnant (SNR) shock. We provide a simple analytical spectrum that also fits well the hardening (2) because of the decreasing Mach number in the hot superbubble with $\\sim 10^6$ K. Our model predicts hard and con...

  4. Interfacial Engineering and Charge Carrier Dynamics in Extremely Thin Absorber Solar Cells

    Science.gov (United States)

    Edley, Michael

    Photovoltaic energy is a clean and renewable source of electricity; however, it faces resistance to widespread use due to cost. Nanostructuring decouples constraints related to light absorption and charge separation, potentially reducing cost by allowing a wider variety of processing techniques and materials to be used. However, the large interfacial areas also cause an increased dark current which negatively affects cell efficiency. This work focuses on extremely thin absorber (ETA) solar cells that used a ZnO nanowire array as a scaffold for an extremely thin CdSe absorber layer. Photoexcited electrons generated in the CdSe absorber are transferred to the ZnO layer, while photogenerated holes are transferred to the liquid electrolyte. The transfer of photoexcited carriers to their transport layer competes with bulk recombination in the absorber layer. After charge separation, transport of charge carriers to their respective contacts must occur faster than interfacial recombination for efficient collection. Charge separation and collection depend sensitively on the dimensions of the materials as well as their interfaces. We demonstrated that an optimal absorber thickness can balance light absorption and charge separation. By treating the ZnO/CdSe interface with a CdS buffer layer, we were able to improve the Voc and fill factor, increasing the ETA cell's efficiency from 0.53% to 1.34%, which is higher than that achievable using planar films of the same material. We have gained additional insight into designing ETA cells through the use of dynamic measurements. Ultrafast transient absorption spectroscopy revealed that characteristic times for electron injection from CdSe to ZnO are less than 1 ps. Electron injection is rapid compared to the 2 ns bulk lifetime in CdSe. Optoelectronic measurements such as transient photocurrent/photovoltage and electrochemical impedance spectroscopy were applied to study the processes of charge transport and interfacial recombination

  5. Impacts of side chain and excess energy on the charge photogeneration dynamics of low-bandgap copolymer-fullerene blends

    Energy Technology Data Exchange (ETDEWEB)

    Huo, Ming-Ming, E-mail: hithuomm@163.com; Zhang, Jian-Ping, E-mail: jpzhang@chem.ruc.edu.cn, E-mail: hjhzlz@iccas.ac.cn [Center for Condensed Matter Science and Technology, Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); Department of Chemistry, Renmin University of China, Beijing 100872 (China); Hu, Rong, E-mail: hurong-82@163.com; Xing, Ya-Dong, E-mail: xingyadong1130@126.com; Liu, Yu-Chen, E-mail: liuych@ruc.edu.cn; Ai, Xi-Cheng, E-mail: xcai@chem.ruc.edu.cn [Department of Chemistry, Renmin University of China, Beijing 100872 (China); Hou, Jian-Hui, E-mail: jpzhang@chem.ruc.edu.cn, E-mail: hjhzlz@iccas.ac.cn [State Key Laboratory of Polymer Physics and Chemistry, Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

    2014-02-28

    Primary charge photogeneration dynamics in neat and fullerene-blended films of a pair of alternating benzo[1,2-b:4,5-b{sup ′}]dithiophene (BDT) and thieno[3,4-b]thiophene (TT) copolymers are comparatively studied by using near-infrared, time-resolved absorption (TA) spectroscopy under low excitation photon fluence. PBDTTT-E and PBDTTT-C, differed merely in the respective TT-substituents of ester (-E) and carbonyl (-C), show distinctly different charge photogeneration dynamics. The pair of neat PBDTTT films show exciton lifetimes of ∼0.1 ns and fluorescence quantum yields below 0.2%, as well as prominent excess-energy enhanced exciton dissociation. In addition, PBDTTT-C gives rise to >50% higher P{sup •+} yield than PBDTTT-E does irrespective to the excitation photon energy. Both PBDTTT-E:PC{sub 61}BM and PBDTTT-C:PC{sub 61}BM blends show subpicosecond exciton lifetimes and nearly unitary fluorescence quenching efficiency and, with respect to the former blend, the latter one shows substantially higher branching ratio of charge separated (CS) state over interfacial charge transfer (ICT) state, and hence more efficient exciton-to-CS conversion. For PBDTTT-C:PC{sub 61}BM, the ultrafast charge dynamics clearly show the processes of ICT-CS interconversion and P{sup •+} migration, which are possibly influenced by the ICT excess energy. However, such processes are relatively indistinctive in the case of PBDTTT-E:PC{sub 61}BM. The results strongly prove the importance of ICT dissociation in yielding free charges, and are discussed in terms of the film morphology and the precursory solution-phase macromolecular conformation.

  6. A wide dynamic range CMOS image sensor with dual charge storage in a pixel and a multiple sampling technique

    Science.gov (United States)

    Shafie, Suhaidi; Kawahito, Shoji

    2008-02-01

    This paper presents a dynamic range expansion technique of CMOS image sensors with dual charge storage in a pixel and multiple exposures. Each pixel contains two photodiodes, PD1 and PD2 whose sensitivity can be set independently by the accumulation time. The difference of charge accumulation time in both photodiode can be manipulated to expand the dynamic range of the sensor. It allows flexible control of the dynamic range since the accumulation time in PD2 is adjustable. The multiple exposure technique used in the sensor reduces the motion blur in the synthesized wide dynamic range image when capturing fast-moving objects. It also reduces the signal-to-nose ratio dip at the switching point of the PD1 signal to the PD2 signals in the synthesized wide dynamic range image. A wide dynamic range camera with 320x240 pixels image sensor has been tested. It is found that the sampling of 4 times for the short accumulation time signals is sufficient for the reduction of motion blur in the synthesized wide dynamic range image, and the signal-to-noise ratio dip at the switching point of the PD1 signal to the PD2 signal is improved by 6 dB using 4 short-time exposures.

  7. The influence of microstructure on charge separation dynamics in organic bulk heterojunction materials for solar cell applications

    KAUST Repository

    Scarongella, Mariateresa

    2014-01-01

    Light-induced charge formation is essential for the generation of photocurrent in organic solar cells. In order to gain a better understanding of this complex process, we have investigated the femtosecond dynamics of charge separation upon selective excitation of either the fullerene or the polymer in different bulk heterojunction blends with well-characterized microstructure. Blends of the pBTTT and PBDTTPD polymers with PCBM gave us access to three different scenarios: either a single intermixed phase, an intermixed phase with additional pure PCBM clusters, or a three-phase microstructure of pure polymer aggregates, pure fullerene clusters and intermixed regions. We found that ultrafast charge separation (by electron or hole transfer) occurs predominantly in intermixed regions, while charges are generated more slowly from excitons in pure domains that require diffusion to a charge generation site. The pure domains are helpful to prevent geminate charge recombination, but they must be sufficiently small not to become exciton traps. By varying the polymer packing, backbone planarity and chain length, we have shown that exciton diffusion out of small polymer aggregates in the highly efficient PBDTTPD:PCBM blend occurs within the same chain and is helped by delocalization. This journal is © the Partner Organisations 2014.

  8. Ultrafast pump-probe study of the excited-state charge-transfer dynamics in blue copper rusticyanin.

    Science.gov (United States)

    Bizzarri, Anna Rita; Brida, Daniele; Santini, Simona; Cerullo, Giulio; Cannistraro, Salvatore

    2012-04-12

    We have used femtosecond pump-probe spectroscopy to investigate the excited-state dynamics of the anticancer blue copper protein rusticyanin, by exciting its ligand to metal charge-transfer band with 25 fs pump pulses centered at 585 nm. The charge-transfer excited state decays exponentially to the ground state with a time constant of about 230 fs, and its recovery is modulated by coherent oscillations. The Fourier transform of the oscillatory component of the signal provides most of the vibrational modes obtained by means of conventional resonance Raman studies, in addition to the low frequency modes below 80 cm(-1) believed to reflect collective motions of biological relevance.

  9. Spectral Features and Charge Dynamics of Lead Halide Perovskites: Origins and Interpretations.

    Science.gov (United States)

    Sum, Tze Chien; Mathews, Nripan; Xing, Guichuan; Lim, Swee Sien; Chong, Wee Kiang; Giovanni, David; Dewi, Herlina Arianita

    2016-02-16

    Lead halide perovskite solar cells are presently the forerunner among the third generation solution-processed photovoltaic technologies. With efficiencies exceeding 20% and low production costs, they are prime candidates for commercialization. Critical insights into their light harvesting, charge transport, and loss mechanisms have been gained through time-resolved optical probes such as femtosecond transient absorption spectroscopy (fs-TAS), transient photoluminescence spectroscopy, and time-resolved terahertz spectroscopy. Specifically, the discoveries of long balanced electron-hole diffusion lengths and gain properties in halide perovskites underpin their significant roles in uncovering structure-function relations and providing essential feedback for materials development and device optimization. In particular, fs-TAS is becoming increasingly popular in perovskite characterization studies, with commercial one-box pump-probe systems readily available as part of a researcher's toolkit. Although TAS is a powerful probe in the study of charge dynamics and recombination mechanisms, its instrumentation and data interpretation can be daunting even for experienced researchers. This issue is exacerbated by the sensitive nature of halide perovskites where the kinetics are especially susceptible to pump fluence, sample preparation and handling and even degradation effects that could lead to disparate conclusions. Nonetheless, with end-users having a clear understanding of TAS's capabilities, subtleties, and limitations, cutting-edge work with deep insights can still be performed using commercial setups as has been the trend for ubiquitous spectroscopy instruments like absorption, fluorescence, and transient photoluminescence spectrometers. Herein, we will first briefly examine the photophysical processes in lead halide perovskites, highlighting their novel properties. Next, we proceed to give a succinct overview of the fundamentals of pump-probe spectroscopy in relation

  10. Complete ultrafast charge carrier dynamics in photo-excited all-inorganic perovskite nanocrystals (CsPbX3).

    Science.gov (United States)

    Mondal, Navendu; Samanta, Anunay

    2017-02-02

    Understanding the nature and dynamics of the photo-induced transients of all-inorganic perovskite nanocrystals (NCs) is key to their exploitation in potential applications. In order to determine the nature of charge carriers, their deactivation pathways and dynamics, the photo-induced transients of CsPbBr3, CsPbBr2I, CsPbBr1.5I1.5 and CsPbI3 NCs are spectrally and temporally characterized employing a combination of femtosecond transient absorption (TA) and photoluminescence (PL) up-conversion techniques and global analysis of the data. The results provide distinct identities of the excitons and free charge carriers and distinguish the hot charge carriers from the cold ones. The carrier trapping is attributed to the electrons and their dynamics is unaffected in mixed halide perovskites. The excitation energy dependence of the TA dynamics suggests that the trap states are shallow in nature and mainly limited near the band-edge level. In mixed halide perovskites, an increase in the iodine content leads to hole trapping in a short time scale (photo-response of these substances and their better utilization in light-based applications.

  11. Influence of grain charge gradients on the dynamics of macroparticles in an electrostatic trap

    Energy Technology Data Exchange (ETDEWEB)

    Vaulina, O. S., E-mail: olga.vaulina@bk.ru [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

    2017-03-15

    An analytical model of anomalous heating of charged dust grains (macroparticles) caused by their stochastic motion in a bounded plasma volume is proposed. Analytical expressions allowing one to describe the pumping (heating) of interacting grains with additional stochastic energy due to grain charge gradients are derived. The analytical results are verified by numerical simulation of the problem. It is shown that spatial variations in the charges of dust grains can lead to their anomalous heating in laboratory plasma.

  12. Quasi-Exact Coulomb Dynamics of n Charges n-1 of Which Are Equal

    Directory of Open Access Journals (Sweden)

    Wolodymyr Skrypnik

    2017-01-01

    Full Text Available For n≥3 point charges n-1 of which are negative and equal quasi-exact periodic solutions of their Coulomb equation of motion are found. These solutions describe a motion of the negative charges around a coordinate axis in such a way that their coordinates coincide with vertices of a regular polygon in planes perpendicular to the axis along which the positive charge moves. The Weinstein and center Lyapunov theorems are utilized.

  13. Design of a CMOS Adaptive Charge Pump with Dynamic Current Matching

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A novel structure for a charge pump circuit is proposed, in which the charge-pump (CP) current can adaptively regulated according to phase-locked loops (PLL) frequency synthesis demand. The current follow technology is used to make perfect current matching characteristics, and the two differential inverters are implanted to increase the speed of charge pump and decrease output spur due to theory of low voltage difference signal. Simulation results, with 1st silicon 0.25 μm 2.5 V complementary metal-oxide-semiconductor (CMOS) mixed-signal process, show the good current matching characteristics regardless of the charge pump output voltages.

  14. Proton and charge transfer reactions dynamics of a hydroxyflavone derivative in a polar solvent and in a cyclodextrin nanocavity

    Energy Technology Data Exchange (ETDEWEB)

    Sanz, M.; Organero, J.A. [Departamento de Quimica Fisica, Seccion de Quimicas, Facultad de Ciencias del Medio Ambiente, Universidad de Castilla-La Mancha, Avda. Carlos III, S.N., 45071 Toledo (Spain); Douhal, A. [Departamento de Quimica Fisica, Seccion de Quimicas, Facultad de Ciencias del Medio Ambiente, Universidad de Castilla-La Mancha, Avda. Carlos III, S.N., 45071 Toledo (Spain)], E-mail: Abderrazzak.douhal@uclm.es

    2007-09-25

    In this work, we report on the observation of ultrafast intramolecular charge- and proton-transfer reactions of 4'-dimethylaminoflavonol (DMAF) in N,N-dimethyl formamide and in {gamma}-cyclodextrin ({gamma}-CD) solution. Upon femtosecond excitation an intramolecular charge transfer (ICT) reaction takes place to produce an ICT structure in {approx}200 fs. This structure may undergo a proton transfer reaction to generate a zwitterionic (Z) form in 2-3 ps, or relaxes in its potential energy well, to later equilibrate with that of Z in hundreds of ps. Addition of {gamma}-CD does not significantly affect the fast dynamics of the formed anion. The fs-emission signals of the parent molecule, 3-hydroxyflavone, indicate that the dimethyl amino group in DMAF enhances the rate constant of intermolecular proton-transfer and intramolecular charge-transfer reactions.

  15. A Dynamic Range Expansion Technique for CMOS Image Sensors with Dual Charge Storage in a Pixel and Multiple Sampling

    Science.gov (United States)

    Shafie, Suhaidi; Kawahito, Shoji; Itoh, Shinya

    2008-01-01

    A dynamic range expansion technique for CMOS image sensors with dual charge storage in a pixel and multiple sampling technique is presented. Each pixel contains a photodiode and a storage diode which is connected to the photodiode via a separation gate. The sensitivity of the signal charge in the storage diode can be controlled either by a separation gate which limits the charge to flow into the storage diode or by controlling the accumulation time in the storage diode. The operation of the sensitivity control with separation gate techniques is simulated and it is found that a blocking layer to the storage diode plays an important role for high controllability of sensitivity of the storage diode. A prototype chip for testing multiple short time accumulations is fabricated and measured. PMID:27879802

  16. A Dynamic Range Expansion Technique for CMOS Image Sensors with Dual Charge Storage in a Pixel and Multiple Sampling

    Directory of Open Access Journals (Sweden)

    Shinya Itoh

    2008-03-01

    Full Text Available A dynamic range expansion technique for CMOS image sensors with dual charge storage in a pixel and multiple sampling technique is presented. Each pixel contains a photodiode and a storage diode which is connected to the photodiode via a separation gate. The sensitivity of the signal charge in the storage diode can be controlled either by a separation gate which limits the charge to flow into the storage diode or by controlling the accumulation time in the storage diode. The operation of the sensitivity control with separation gate techniques is simulated and it is found that a blocking layer to the storage diode plays an important role for high controllability of sensitivity of the storage diode. A prototype chip for testing multiple short time accumulations is fabricated and measured.

  17. Effect of carbon and alloying solute atoms on helium behaviors in α-Fe

    Science.gov (United States)

    Zhang, Yange; You, Yu-Wei; Xu, Yichun; Liu, C. S.; Chen, J. L.; Luo, G.-N.

    2017-02-01

    Helium bubbles could strongly degrade the mechanical properties of ferritic steels in fission and fusion systems. The formation of helium bubble is directly affected by the interactions between helium and the compositions in steels, such as solute atoms, carbon and irradiation defects. We thereby performed systematical first-principles calculations to investigate the interactions of solute-helium and carbon-solute-helium. It is found that substitutional helium is more attractive than interstitial helium to all the considered 3p, 4p, 5p and 6p solutes. The attraction between carbon and substitutional helium suggests the carbon-solute-helium complex can be formed stably. By examining the charge density difference and thermal stability, it is found that the ternary complex shows stronger attraction with He than that of solute-helium pair for some solutes (S, Se, In, Te, Pb and Bi) and the complex could existed in iron stably at 700 K. The present theoretical results may be helpful for exploring alloy additions to mitigate the formation of large helium bubbles.

  18. Dynamic loading stimulates chondrocyte biosynthesis when encapsulated in charged hydrogels prepared from poly(ethylene glycol) and chondroitin sulfate.

    Science.gov (United States)

    Villanueva, Idalis; Gladem, Sara K; Kessler, Jeff; Bryant, Stephanie J

    2010-01-01

    This study aimed to elucidate the role of charge in mediating chondrocyte response to loading by employing synthetic 3D hydrogels. Specifically, neutral poly(ethylene glycol) (PEG) hydrogels were employed where negatively charged chondroitin sulfate (ChS), one of the main extracellular matrix components of cartilage, was systematically incorporated into the PEG network at 0%, 20% or 40% to control the fixed charge density. PEG hydrogels were employed as a control environment for extracellular events which occur as a result of loading, but which are not associated with a charged matrix (e.g., cell deformation and fluid flow). Freshly isolated bovine articular chondrocytes were embedded in the hydrogels and subject to dynamic mechanical stimulation (0.3Hz, 15% amplitude strains, 6h) and assayed for nitric oxide production, cell proliferation, proteoglycan synthesis, and collagen deposition. In the absence of loading, incorporation of charge inhibited cell proliferation by approximately 75%, proteoglycan synthesis by approximately 22-50% depending on ChS content, but had no affect on collagen deposition. Dynamic loading had no effect on cellular responses in PEG hydrogels. However, dynamically loading 20% ChS gels inhibited nitrite production by 50%, cell proliferation by 40%, but stimulated proteoglycan and collagen deposition by 162% and 565%, respectively. Dynamic loading of 40% ChS hydrogels stimulated nitrite production by 62% and proteoglycan synthesis by 123%, but inhibited cell proliferation by 54% and collagen deposition by 52%. Upon removing the load and culturing under free-swelling conditions for 36h, the enhanced matrix synthesis observed in the 20% ChS gels was not maintained suggesting that loading is necessary to stimulate matrix production. In conclusion, extracellular events associated with a charged matrix have a dramatic affect on how chondrocytes respond to mechanical stimulation within these artificial 3D matrices suggesting that streaming

  19. Dynamics of the Rydberg state population of slow highly charged ions impinging a solid surface at arbitrary collision geometry

    Science.gov (United States)

    Nedeljković, N. N.; Majkić, M. D.; Božanić, D. K.; Dojčilović, R. J.

    2016-06-01

    We consider the population dynamics of the intermediate Rydberg states of highly charged ions (core charge Z\\gg 1, principal quantum number {n}{{A}}\\gg 1) interacting with solid surfaces at arbitrary collision geometry. The recently developed resonant two-state vector model for the grazing incidence (2012 J. Phys. B: At. Mol. Opt. Phys. 45 215202) is extended to the quasi-resonant case and arbitrary angle of incidence. According to the model, the population probabilities depend both on the projectile parallel and perpendicular velocity components, in a complementary way. A cascade neutralization process for {{{Xe}}}Z+ ions, for Z=15{--}45, interacting with a conductive-surface is considered by taking into account the population dynamics. For an arbitrary collision geometry and given range of ionic velocities, a micro-staircase model for the simultaneous calculation of the kinetic energy gain and the charge state of the ion in front of the surface is proposed. The relevance of the obtained results for the explanation of the formation of nanostructures on solid surfaces by slow highly charged ions for normal incidence geometry is briefly discussed.

  20. Mechanistic insights into the photoinduced charge carrier dynamics of BiOBr/CdS nanosheet heterojunctions for photovoltaic application.

    Science.gov (United States)

    Jia, Huimin; Zhang, Beibei; He, Weiwei; Xiang, Yong; Zheng, Zhi

    2017-03-02

    The rational design of high performance hetero-structure photovoltaic devices requires a full understanding of the photoinduced charge transfer mechanism and kinetics at the interface of heterojunctions. In this paper, we intelligently fabricated p-BiOBr/n-CdS heterojunctions with perfect nanosheet arrays by using a facile successive ionic layer adsorption and reaction and chemical bath deposition methods at low temperature. A BiOBr/CdS heterojunction based solar cell has been fabricated which exhibited enhanced photovoltaic responses. Assisted by the surface photovoltage (SPV), transient photovoltage (TPV) and Kelvin probe technique, the photoinduced charge transfer dynamics on the BiOBr nanosheet and p-BiOBr/n-CdS interface were systematically investigated. It was found that the BiOBr/CdS nanosheet array heterojunctions were more efficient in facilitating charge carrier separation than both bare BiOBr and CdS films. The mechanism underlying the photoinduced charge carrier transfer behaviour was unravelled by allying the energy band of BiOBr/CdS p-n junctions from both the interfacial electric field and surface electric field. In addition, the CdS loading thickness in the p-BiOBr/n-CdS heterojunction and the incident wavelength affected greatly the transfer behavior of photoinduced charges, which was of great value for design of photovoltaic devices.

  1. Excited state intramolecular proton transfer and charge transfer dynamics of a 2-(2'-hydroxyphenyl)benzoxazole derivative in solution.

    Science.gov (United States)

    Kim, Chul Hoon; Park, Jaehun; Seo, Jangwon; Park, Soo Young; Joo, Taiha

    2010-05-13

    Excited state intramolecular proton transfer (ESIPT) and subsequent intramolecular charge transfer (ICT) dynamics of a 2-(2'-hydroxyphenyl)benzoxazole derivative conjugated with an electron withdrawing group (HBOCE) in solutions and a polymer film has been investigated by femtosecond time-resolved fluorescence (TRF) and TRF spectra measurements without the conventional spectral reconstruction method. TRF with high enough resolution (benzoxazole groups is invoked to account for the dispersive ESIPT dynamics in liquids. From the TRF spectra of both the enol and keto isomers, we have identified the ICT reaction of the keto isomer occurring subsequent to the ESIPT. The ICT proceeds also by two time constants of near instantaneous and 2.7 ps. Since the ICT dynamics of HBOCE is rather close to the polar solvation dynamics, we argue that the ICT is barrierless and determined mostly by the solvent fluctuation.

  2. Considering the dynamic refueling behavior in locating electric vehicle charging stations

    Science.gov (United States)

    Liu, K.; Sun, X. H.

    2014-11-01

    Electric vehicles (EVs) will certainly play an important role in addressing the energy and environmental challenges at current situation. However, location problem of EV charging stations was realized as one of the key issues of EVs launching strategy. While for the case of locating EV charging stations, more influence factors and constraints need to be considered since the EVs have some special attributes. The minimum requested charging time for EVs is usually more than 30minutes, therefore the possible delay time due to waiting or looking for an available station is one of the most important influence factors. In addition, the intention to purchase and use of EVs that also affects the location of EV charging stations is distributed unevenly among regions and should be considered when modelling. Unfortunately, these kinds of time-spatial constraints were always ignored in previous models. Based on the related research of refuelling behaviours and refuelling demands, this paper developed a new concept with dual objectives of minimum waiting time and maximum service accessibility for locating EV charging stations - named as Time-Spatial Location Model (TSLM). The proposed model and the traditional flow-capturing location model are applied on an example network respectively and the results are compared. Results demonstrate that time constraint has great effects on the location of EV charging stations. The proposed model has some obvious advantages and will help energy providers to make a viable plan for the network of EV charging stations.

  3. Charging dynamics of a floating gate transistor with site-controlled quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Maier, P., E-mail: patrick.maier@physik.uni-wuerzburg.de; Hartmann, F.; Emmerling, M.; Schneider, C.; Höfling, S.; Kamp, M.; Worschech, L. [Technische Physik, Physikalisches Institut, Wilhelm Conrad Röntgen Research Center for Complex Material Systems, Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany)

    2014-08-04

    A quantum dot memory based on a GaAs/AlGaAs quantum wire with site-controlled InAs quantum dots was realized by means of molecular beam epitaxy and etching techniques. By sampling of different gate voltage sweeps for the determination of charging and discharging thresholds, it was found that discharging takes place at short time scales of μs, whereas several seconds of waiting times within a distinct negative gate voltage range were needed to charge the quantum dots. Such quantum dot structures have thus the potential to implement logic functions comprising charge and time dependent ingredients such as counting of signals or learning rules.

  4. Solving the Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem by Dynamic Programming

    DEFF Research Database (Denmark)

    Rauff Lind Christensen, Tue; Klose, Andreas; Andersen, Kim Allan

    The Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem (SSFCMCTP) is a problem with versatile applications. This problem is a generalization of the Single-Sink, Fixed-Charge Transportation Problem (SSFCTP), which has a fixed-charge, linear cost structure. However, in at least two...... important aspects of supplier selection, an important application of the SSFCTP, this does not reflect the real life situation. First, transportation costs faced by many companies are in fact piecewise linear. Secondly, when suppliers offer discounts, either incremental or all-unit discounts, such savings...

  5. Visualisation of charge dynamics when water droplets move off a hydrophobic surface

    Science.gov (United States)

    Helseth, L. E.; Wen, H. Z.

    2017-09-01

    The Kelvin water drop generator is often used for educational purposes to visualise how charge is transferred when water drops separate from a solid. Here, we discuss an alternative and simpler setup, which allows one to visualise the charge transfer that occurs when water drops move off a hydrophobic polymer. One can visualise the charge transfer directly as light pulses from a light emitting diode, or monitor the current pulses generated by the water drops. Further investigation of the current pulses provides information about how single water droplets or fluctuating streams move down the incline.

  6. Helium segregation on surfaces of plasma-exposed tungsten.

    Science.gov (United States)

    Maroudas, Dimitrios; Blondel, Sophie; Hu, Lin; Hammond, Karl D; Wirth, Brian D

    2016-02-17

    We report a hierarchical multi-scale modeling study of implanted helium segregation on surfaces of tungsten, considered as a plasma facing component in nuclear fusion reactors. We employ a hierarchy of atomic-scale simulations based on a reliable interatomic interaction potential, including molecular-statics simulations to understand the origin of helium surface segregation, targeted molecular-dynamics (MD) simulations of near-surface cluster reactions, and large-scale MD simulations of implanted helium evolution in plasma-exposed tungsten. We find that small, mobile He n (1⩽  n  ⩽  7) clusters in the near-surface region are attracted to the surface due to an elastic interaction force that provides the thermodynamic driving force for surface segregation. This elastic interaction force induces drift fluxes of these mobile He n clusters, which increase substantially as the migrating clusters approach the surface, facilitating helium segregation on the surface. Moreover, the clusters' drift toward the surface enables cluster reactions, most importantly trap mutation, in the near-surface region at rates much higher than in the bulk material. These near-surface cluster dynamics have significant effects on the surface morphology, near-surface defect structures, and the amount of helium retained in the material upon plasma exposure. We integrate the findings of such atomic-scale simulations into a properly parameterized and validated spatially dependent, continuum-scale reaction-diffusion cluster dynamics model, capable of predicting implanted helium evolution, surface segregation, and its near-surface effects in tungsten. This cluster-dynamics model sets the stage for development of fully atomistically informed coarse-grained models for computationally efficient simulation predictions of helium surface segregation, as well as helium retention and surface morphological evolution, toward optimal design of plasma facing components.

  7. Nonlinear dynamics for charges particle beams with a curved axis in the matrix - recursive model

    Energy Technology Data Exchange (ETDEWEB)

    Dymnikov, A.D. [University of St Petersburg, (Russian Federation). Institute of Computational Mathematics and Control Process

    1993-12-31

    In this paper a new matrix and recursive approach has been outlined for treating nonlinear optics of charged particle beams. This approach is a new analytical and computational tool for designers of optimal beam control systems. 9 refs.

  8. Positronium formation from positron impact on hydrogen and helium targets

    Science.gov (United States)

    Naginey, T. C.; Stacy, Eric W.; Pollock, B. B.; Walters, H. R. J.; Whelan, Colm T.

    2014-06-01

    Charge-exchange cross sections are presented for collisions of positrons with hydrogen and neutral and singly ionized helium targets using a variant of the classical trajectory Monte Carlo approach. As a check on the method a comparison is made with the corresponding proton results. An extended error analysis is presented. Reasonable agreement with available experimental data is found, and the charge-exchange cross section for positrons on He+ is predicted.

  9. Direct observation of charge-transfer-to-solvent (CTTS) reactions: Ultrafast dynamics of the photoexcited alkali metal anion sodide (Na-)

    Science.gov (United States)

    Barthel, Erik R.; Martini, Ignacio B.; Schwartz, Benjamin J.

    2000-06-01

    Charge-transfer-to-solvent (CTTS) transitions have been the subject of a great deal of interest recently because they represent the simplest possible charge transfer reaction: The CTTS electron transfer from an atomic ion to a cavity in the surrounding solvent involves only electronic degrees of freedom. Most of the work in this area, both experimental and theoretical, has focused on aqueous halides. Experimentally, however, halides make a challenging choice for studying the CTTS phenomenon because the relevant spectroscopic transitions are deep in the UV and because the charge-transfer dynamics can be monitored only indirectly through the appearance of the solvated electron. In this paper, we show that these difficulties can be overcome by taking advantage of the CTTS transitions in solutions of alkali metal anions, in particular, the near-IR CTTS band of sodide (Na-) in tetrahydrofuran (THF). Using femtosecond pump-probe techniques, we have been able to spectroscopically separate and identify transient absorption contributions not only from the solvated electron, but also from the bleaching dynamics of the Na- ground state and from the absorption of the neutral sodium atom. Perhaps most importantly, we also have been able to directly observe the decay of the Na-* excited CTTS state, providing the first direct measure of the electron transfer rate for any CTTS system. Taken together, the data at a variety of pump and probe wavelengths provide a direct test for several kinetic models of the CTTS process. The model which best fits the data assumes a delayed ejection of the electron from the CTTS excited state in ˜700 fs. Once ejected, a fraction of the electrons, which remain localized in the vicinity of the neutral sodium parent atom, recombine on a ˜1.5-ps time scale. The fraction of electrons that recombine depends sensitively on the choice of excitation wavelength, suggesting multiple pathways for charge transfer. The spectrum of the neutral sodium atom, which

  10. Education in Helium Refrigeration

    Science.gov (United States)

    Gistau Baguer, G. M.

    2004-06-01

    On the one hand, at the end of the time I was active in helium refrigeration, I noticed that cryogenics was stepping into places where it was not yet used. For example, a conventional accelerator, operating at room temperature, was to be upgraded to reach higher particle energy. On the other hand, I was a little bit worried to let what I had so passionately learned during these years to be lost. Retirement made time available, and I came gradually to the idea to teach about what was my basic job. I thought also about other kinds of people who could be interested in such lessons: operators of refrigerators or liquefiers who, often by lack of time, did not get a proper introduction to their job when they started, young engineers who begin to work in cryogenics… and so on. Consequently, I have assembled a series of lessons about helium refrigeration. As the audiences have different levels of knowledge in the field of cryogenics, I looked for a way of teaching that is acceptable for all of them. The course is split into theory of heat exchangers, refrigeration cycles, technology and operation of main components, process control, and helium purity.

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

    Science.gov (United States)

    Yamamoto, Kentaro; Takatsuka, Kazuo

    2016-08-01

    In this perspective article, we review, along with presenting new results, a series of our theoretical analyses on the excited-state mechanism of charge separation (proton-electron pair creation) relevant to the photoinduced water-splitting reaction (2H2O → 4H+ + 4e- + O2) in organic and biological systems, which quite often includes Mn clusters in various molecular configurations. The present mechanism is conceived to be universal in the triggering process of the photoexcited water splitting dynamics. In other words, any Mn-based catalytic charge separation is quite likely to be initiated according to this mechanism. As computationally tractable yet realistic models, we examine a series of systems generally expressed as X-Mn-OH2⋯A, where X = (OH, Ca(OH)3) and A = (N-methylformamidine, guanidine, imidazole or ammonia cluster) in terms of the theory of nonadiabatic electron wavepacket dynamics. We first find both an electron and a proton are simultaneously transferred to the acceptors through conical intersections upon photoexcitation. In this mechanism, the electron takes different pathways from that of the proton and reaches the densely lying Rydberg-like states of the acceptors in the end, thereby inducing charge separation. Therefore the presence of the Rydberg-like diffused unoccupied states as an electron acceptor is critical for this reaction to proceed. We also have found another crucial nonadiabatic process that deteriorates the efficiency of charge separation by rendering the created pair of proton and electron back to the originally donor site through the states of d-d band originated from Mn atom. Repetition of this process gradually annihilates the created pair of proton and electron in a way different from the usual charge recombination process. We address this dynamics by means of our proposed path-branching representation. The dynamical roles of a doped Ca atom are also uncovered, which are relevant to controlling the pathways of electron

  12. Computational study of the interaction of cold atmospheric helium plasma jets with surfaces

    Science.gov (United States)

    Breden, Douglas; Raja, Laxminarayan L.

    2014-12-01

    We describe a computational modeling study of a cold atmospheric pressure plasma jet interacting with a dielectric surface placed normal to the jet axis. The plasma jet is generated by the application of a nanosecond pulse voltage applied to a dielectric tube through which the jet issues into ambient air. A base fluid flow field is pre-computed using a Navier-Stokes model for the helium jet impinging on the dielectric target surface with a two-species description for laminar diffusional mixing of the helium and ambient air streams. A self-consistent, multiple species, two-temperature model is used to describe the non-equilibrium plasma discharge dynamics in the presence of the base jet flow field. A single nanosecond pulse discharge event starting from initial breakdown in the dielectric tube, to propagation into the open gap, and finally the interaction with the dielectric surface is simulated. Initially, the plasma forms within the dielectric tube and propagates along the tube surface as a surface discharge driven by large induced electric fields produced by trapped charge on the dielectric surface. When the discharge reaches the end of the dielectric tube, the discharge transitions to a constricted fast ionization wave that propagates along the helium-air interface. The fast ionization wave eventually reaches the dielectric target surface where charged species are deposited as the discharge propagates parallel to the wall as a surface driven discharge. The surface driven discharge ceases to propagate once the quantity of air to helium is sufficient enough to quench the hot electrons and prevent further ionization. Due to the low speed of the flow discharge and the short life times of the radical species such as O, most of the radical species delivered to the surface are a result of the surface discharge that forms after the plasma bullet impinges against the surface. It is found that factors such as the thickness of the target dielectric and the profile of the

  13. Understanding self-assembly of charged-neutral block copolymer (BCP) and surfactant complexes using molecular dynamics (MD) simulation

    Science.gov (United States)

    Goswami, Monojoy; Sumpter, Bobby; Kilbey, Michael

    Here we report the formation of phase separated BCP-surfactant complexes resulting from the electrostatic self-assembly of charge-neutral block copolymers with oppositely charged surfactants. Complexation behaviors of oppositely charged polyelectrolytes has gained considerable attention in the field of soft condensed matter physics due to their potential application as functional nanomaterials for batteries, wastewater treatment and drug delivery systems. Numerous experiments have examined the self-assembled structures resulting from complexation of charge-neutral BCP and surfactants, however, there is a lack of comprehensive understanding at the fundamental level. To help bridge this gap, we use, MD simulations to study self-assembly and dynamics of the BCP-surfactant complex at the molecular level. Our results show an overcharging effect in BCPs with hydrophobic neutral blocks and a formation of core-shell colloidal structure. Hydrophilic neutral blocks, on the other hand, show stable, hairy colloidal structures with neutral blocks forming a loosely-bound, fuzzy outer layer. Our results qualitatively agree with previous SANS and SAXS experiments. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Materials Science and Engineering Division.

  14. Charge-carrier relaxation dynamics in highly ordered poly( p -phenylene vinylene): Effects of carrier bimolecular recombination and trapping

    Science.gov (United States)

    Soci, Cesare; Moses, Daniel; Xu, Qing-Hua; Heeger, Alan J.

    2005-12-01

    We have studied the charge-carrier relaxation dynamics in highly ordered poly( p -phenylene vinylene) over a broad time range using fast (t>100ps) transient photoconductivity measurements. The carrier density was also monitored (t>100fs) by means of photoinduced absorption probed at the infrared active vibrational modes. We find that promptly upon charge-carrier photogeneration, the initial polaron dynamics is governed by bimolecular recombination, while later in the subnanosecond time regime carrier trapping gives rise to an exponential decay of the photocurrent. The more sensitive transient photocurrent measurements indicate that in the low excitation regime, when the density of photocarriers is comparable to that of the trapping states (˜1016cm-3) , carrier hopping between traps along with transport via extended states determines the carrier relaxation, a mechanism that is manifested by a long-lived photocurrent “tail.” This photocurrent tail is reduced by lowering the temperature and/or by increasing the excitation density. Based on these data, we develop a comprehensive kinetic model that takes into account the bipolar charge transport, the free-carrier bimolecular recombination, the carrier trapping, and the carrier recombination involving free and trapped carriers.

  15. Investigations of ultrafast charge dynamics in laser-irradiated targets by a self probing technique employing laser driven protons

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, H. [School of Mathematics and Physics, Queen' s University Belfast, BT7 1NN (United Kingdom); Kar, S., E-mail: s.kar@qub.ac.uk [School of Mathematics and Physics, Queen' s University Belfast, BT7 1NN (United Kingdom); Cantono, G. [School of Mathematics and Physics, Queen' s University Belfast, BT7 1NN (United Kingdom); Department of Physics “E. Fermi”, Largo B. Pontecorvo 3, 56127 Pisa (Italy); Consiglio Nazionale delle Ricerche, Istituto Nazionale di Ottica, Research Unit Adriano Gozzini, via G. Moruzzi 1, Pisa 56124 (Italy); Nersisyan, G. [School of Mathematics and Physics, Queen' s University Belfast, BT7 1NN (United Kingdom); Brauckmann, S. [Institut für Laser-und Plasmaphysik, Heinrich-Heine-Universität, Düsseldorf (Germany); Doria, D.; Gwynne, D. [School of Mathematics and Physics, Queen' s University Belfast, BT7 1NN (United Kingdom); Macchi, A. [Department of Physics “E. Fermi”, Largo B. Pontecorvo 3, 56127 Pisa (Italy); Consiglio Nazionale delle Ricerche, Istituto Nazionale di Ottica, Research Unit Adriano Gozzini, via G. Moruzzi 1, Pisa 56124 (Italy); Naughton, K. [School of Mathematics and Physics, Queen' s University Belfast, BT7 1NN (United Kingdom); Willi, O. [Institut für Laser-und Plasmaphysik, Heinrich-Heine-Universität, Düsseldorf (Germany); Lewis, C.L.S.; Borghesi, M. [School of Mathematics and Physics, Queen' s University Belfast, BT7 1NN (United Kingdom)

    2016-09-01

    The divergent and broadband proton beams produced by the target normal sheath acceleration mechanism provide the unique opportunity to probe, in a point-projection imaging scheme, the dynamics of the transient electric and magnetic fields produced during laser-plasma interactions. Commonly such experimental setup entails two intense laser beams, where the interaction produced by one beam is probed with the protons produced by the second. We present here experimental studies of the ultra-fast charge dynamics along a wire connected to laser irradiated target carried out by employing a ‘self’ proton probing arrangement – i.e. by connecting the wire to the target generating the probe protons. The experimental data shows that an electromagnetic pulse carrying a significant amount of charge is launched along the wire, which travels as a unified pulse of 10s of ps duration with a velocity close to speed of light. The experimental capabilities and the analysis procedure of this specific type of proton probing technique are discussed. - Highlights: • Prompt charging of laser irradiated target generates ultra-short EM pulses. • Its ultrafast propagation along a wire was studied by self-proton probing technique. • Self-proton probing technique is the proton probing with one laser pulse. • Pulse temporal profile and speed along the wire were measured with high resolution.

  16. Electron correlations in single-electron capture from helium by fast protons and α particles

    Science.gov (United States)

    Mančev, Ivan; Milojević, Nenad

    2010-02-01

    Single-electron capture from heliumlike atomic systems by bare projectiles is investigated by means of the four-body boundary-corrected first Born approximation (CB1-4B). The effect of the dynamic electron correlation is explicitly taken into account through the complete perturbation potential. The quantum-mechanical post and prior transition amplitudes for single charge exchange encompassing symmetric and/or asymmetric collisions are derived in terms of two-dimensional real integrals in the case of the prior form and five-dimensional quadratures for the post form. An illustrative computation is performed for single-electron capture from helium by protons and α particles at intermediate and high impact energies. The role of dynamic correlations is examined as a function of increased projectile energy. The validity and utility of the proposed CB1-4B method is critically assessed in comparison with the existing experimental data for total cross sections, and excellent agreement is obtained.

  17. Helium anion formation inside helium droplets

    Science.gov (United States)

    Maalouf, Elias Jabbour Al; Reitshammer, Julia; Ribar, Anita; Scheier, Paul; Denifl, Stephan

    2016-07-01

    The formation of He∗- is examined with improved electron energy resolution of about 100 meV utilizing a hemispherical electron monochromator. The work presented provides a precise determination of the three previously determined resonance peak positions that significantly contribute to the formation of He∗- inside helium nanodroplets in the energy range from 20 eV to 29.5 eV. In addition, a new feature is identified located at 27.69 ± 0.18 eV that we assign to the presence of O2 as a dopant inside the droplet. With increasing droplet size a small blue shift of the resonance positions is observed. Also for the relatively low electron currents used in the present study (i.e., 15-70 nA) a quadratic dependence of the He∗- ion yield on the electron current is observed. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

  18. Independent freezing of charge and spin dynamics in La1.5Sr0.5CoO4

    Science.gov (United States)

    Zaliznyak; Hill; Tranquada; Erwin; Moritomo

    2000-11-13

    We present elastic and quasielastic neutron scattering measurements characterizing peculiar short-range charge-orbital and spin order in the layered perovskite material La1.5Sr0.5CoO4. We find that below T(c) approximately 750 K holes introduced by Sr doping lose mobility and enter a statically ordered charge glass phase with loosely correlated checkerboard arrangement of empty and occupied d(3z(2)-r(2)) orbitals ( Co3+ and Co2+). The dynamics of the resultant mixed spin system is governed by the anisotropic nature of the crystal-field Hamiltonian and the peculiar exchange pattern produced by the orbital order. It undergoes a spin freezing transition at a much lower temperature, T(s) less, similar30 K.

  19. Front-end electronics for CsI based charged particle array for the study of reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Jhingan, Akhil, E-mail: akhil@iuac.res.in [Inter University Accelerator Centre, P.O. Box 10502, New Delhi 110067 (India); Sugathan, P. [Inter University Accelerator Centre, P.O. Box 10502, New Delhi 110067 (India); Kaur, Gurpreet; Kapoor, K. [Department of Physics, Panjab University, Chandigarh 160014 (India); Saneesh, N.; Banerjee, T. [Inter University Accelerator Centre, P.O. Box 10502, New Delhi 110067 (India); Singh, Hardev [Department of Physics, Kurukshetra University, Kurukshetra 136119 (India); Kumar, A.; Behera, B.R. [Department of Physics, Panjab University, Chandigarh 160014 (India); Nayak, B.K. [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

    2015-06-21

    The characteristics and performance of a new detector system based on CsI(TI) scintillators, and its front-end electronics are presented. The detector system has been developed for the detection of light charged particles to investigate fusion–fission dynamics, and will also serve as ancillary detector for an array of neutron detectors. CsI scintillators are read by photo-diodes. The main feature of the array is its compact and simple high density front-end electronics which includes custom developed low noise charge sensitive preamplifiers (with very low power consumption for operation inside vacuum), NIM differential drivers, and commercially available Mesytec amplifiers with two different time constants for particle identification using a ballistic deficit technique.

  20. Elucidating the Ultrafast Dynamics of Photoinduced Charge Separation in Metalloporphyrin-Fullerene Dyads Across the Electromagnetic Spectrum

    DEFF Research Database (Denmark)

    Zhang, J.; Pápai, Mátyás Imre; Hirsch, A.

    2016-01-01

    Metalloporphyrins are prominent building blocks in the synthetic toolbox of advanced photodriven molecular devices. When the central ion is paramagnetic, the relaxation pathways within the manifold of excited states are highly intricate so that unravelling the intramolecular energy and electron...... transfer processes is usually a very complex task. This fact is critically hampering the development of applications based on the enhanced coupling offered by the electronic exchange interaction. In this work, the dynamics of charge separation in a copper porphyrin-fullerene are studied with several...... complementary spectroscopic tools across the electromagnetic spectrum (from near-infrared to X-ray wavelengths), each of them providing specific diagnostics. Correlating the various rates clearly demonstrates that the lifetime of the photoinduced charge-separated state exceeds by about 10-fold...

  1. Comparative study of microscopic charge dynamics in crystalline acceptor-substituted oligothiophenes.

    Science.gov (United States)

    Schrader, Manuel; Fitzner, Roland; Hein, Moritz; Elschner, Chris; Baumeier, Björn; Leo, Karl; Riede, Moritz; Bäuerle, Peter; Andrienko, Denis

    2012-04-04

    By performing microscopic charge transport simulations for a set of crystalline dicyanovinyl-substituted oligothiophenes, we find that the internal acceptor-donor-acceptor molecular architecture combined with thermal fluctuations of dihedral angles results in large variations of local electric fields, substantial energetic disorder, and pronounced Poole-Frenkel behavior, which is unexpected for crystalline compounds. We show that the presence of static molecular dipoles causes large energetic disorder, which is mostly reduced not by compensation of dipole moments in a unit cell but by molecular polarizabilities. In addition, the presence of a well-defined π-stacking direction with strong electronic couplings and short intermolecular distances turns out to be disadvantageous for efficient charge transport since it inhibits other transport directions and is prone to charge trapping.

  2. Relativistic Dynamics of a Charged Sphere: Updating the Lorentz-Abraham Model

    Science.gov (United States)

    1992-02-01

    electrornagritic forces of tI.’cs chI arge. Flor a stationiary charged sphere, as lhimnicar exp~ lainied . t he b~ inding forces exert el 1, ’ t he...lie position. velocity, an(i acceleration of each element of charge at the retarded time (t’ = I -- I?’(I’)/c) in a Taylor series about the present...8217,t 2 + (S.241a) where the distance /?’(t’) has tle Taylor ,cries expansion l/’(t) = l (t)- (I)R - 6(r’, I) + .. 8 2 b 2c 2 These llaylur series

  3. The influence of morphology on charge transport/recombination dynamics in planar perovskite solar cells

    Science.gov (United States)

    Yu, Man; Wang, Yi; Wang, Hao-Yi; Han, Jun; Qin, Yujun; Zhang, Jian-Ping; Ai, Xi-Cheng

    2016-10-01

    The photovoltaic performance of planar perovskite solar cell is significantly influenced by the morphology of perovskite film. In this work, five kinds of devices with different perovskite film morphologies were prepared by varying the concentration of CH3NH3Cl in precursor solutions. We found that best morphology of perovskite film results in the excellent photovoltaic performance with an average efficiency of 15.52% and a champion efficiency of 16.38%. Transient photovoltage and photocurrent measurements are performed to elucidate the mechanism of photoelectric conversion processes, which shows that the charge recombination is effectively suppressed and the charge transport is obviously promoted by optimized morphology.

  4. Helium in Earth's early core

    Science.gov (United States)

    Bouhifd, M. A.; Jephcoat, Andrew P.; Heber, Veronika S.; Kelley, Simon P.

    2013-11-01

    The observed escape of the primordial helium isotope, 3He, from the Earth's interior indicates that primordial helium survived the energetic process of planetary accretion and has been trapped within the Earth to the present day. Two distinct reservoirs in the Earth's interior have been invoked to account for variations in the 3He/4He ratio observed at the surface in ocean basalts: a conventional depleted mantle source and a deep, still enigmatic, source that must have been isolated from processing throughout Earth history. The Earth's iron-based core has not been considered a potential helium source because partitioning of helium into metal liquid has been assumed to be negligible. Here we determine helium partitioning in experiments between molten silicates and iron-rich metal liquids at conditions up to 16GPa and 3,000K. Analyses of the samples by ultraviolet laser ablation mass spectrometry yield metal-silicate helium partition coefficients that range between 4.7×10-3 and 1.7×10-2 and suggest that significant quantities of helium may reside in the core. Based on estimated concentrations of primordial helium, we conclude that the early core could have incorporated enough helium to supply deep-rooted plumes enriched in 3He throughout the age of the Earth.

  5. INFLUENCE OF FILM STRUCTURE AND LIGHT ON CHARGE TRAPPING AND DISSIPATION DYNAMICS IN SPUN-CAST ORGANIC THIN-FILM TRANSISTORS MEASURED BY SCANNING KELVIN PROBE MICROSCOPY

    Energy Technology Data Exchange (ETDEWEB)

    Teague, L.; Moth, M.; Anthony, J.

    2012-05-03

    Herein, time-dependent scanning Kelvin probe microscopy of solution processed organic thin film transistors (OTFTs) reveals a correlation between film microstructure and OTFT device performance with the location of trapped charge within the device channel. The accumulation of the observed trapped charge is concurrent with the decrease in I{sub SD} during operation (V{sub G}=-40 V, V{sub SD}= -10 V). We discuss the charge trapping and dissipation dynamics as they relate to the film structure and show that application of light quickly dissipates the observed trapped charge.

  6. Mechanism and Dynamics of Charge Transfer in Donor-Bridge-Acceptor Systems

    NARCIS (Netherlands)

    Gorczak-Vos, N.

    2016-01-01

    Photoinduced charge transfer in organic materials is a fundamental process in various biological and technological areas. Donor-bridge-acceptor (DBA) molecules are used as model systems in numerous theoretical and experimental work to systematically study and unravel the underlying mechanisms of cha

  7. Charged Particle Dynamics in the Magnetic Field of a Long Straight Current-Carrying Wire

    Science.gov (United States)

    Prentice, A.; Fatuzzo, M.; Toepker, T.

    2015-01-01

    By describing the motion of a charged particle in the well-known nonuniform field of a current-carrying long straight wire, a variety of teaching/learning opportunities are described: 1) Brief review of a standard problem; 2) Vector analysis; 3) Dimensionless variables; 4) Coupled differential equations; 5) Numerical solutions.

  8. Epoxy Based Nanodielectrics for High Voltage DC Applications: Synthesis, Dielectric Properties and Space Charge Dynamics

    NARCIS (Netherlands)

    Andritsch, T.M.

    2010-01-01

    Main goal of the research described in this PhD thesis was to determine the influences of filler size, material and distribution on the DC breakdown strength, permittivity and space charge behaviour of nanocomposites. This should lay the groundwork for tailored insulation materials for HVDC

  9. Epoxy Based Nanodielectrics for High Voltage DC Applications: Synthesis, Dielectric Properties and Space Charge Dynamics

    NARCIS (Netherlands)

    Andritsch, T.M.

    2010-01-01

    Main goal of the research described in this PhD thesis was to determine the influences of filler size, material and distribution on the DC breakdown strength, permittivity and space charge behaviour of nanocomposites. This should lay the groundwork for tailored insulation materials for HVDC applicat

  10. Influence of Helium Atoms Absorption on the Emission Properties of Carbon Nanotubes

    Science.gov (United States)

    Umaev, S. M.; Levchenko, A. A.; Kolesnikov, N. N.; Filatov, S. V.

    2017-04-01

    We investigated the emission properties of charge sources based on carbon nanotubes prepared by arc discharge deposition of nanotubes onto a flat copper substrate (Borisenko et al. in Instrum Exp Tech 57(6):755, 2014; Low Temp Phys 41(7):567, 2015). The charge sources were submerged into superfluid helium at temperature T=1.3 K. The collector fixed above the charge source at a distance of 0.3 mm was connected to an electrometer. The current of charges was measured by the electrometer when a high voltage was applied to the charge source. In the originally prepared source, the emission of charges (electrons) on the level of 10^{-10}A is observed at a negative voltage above U=80 V and increases with increasing voltage. If the source of charge was kept in liquid helium for 15 h, the current-voltage characteristic changed significantly. The current of charges on the same level of 10^{-10} A was registered at a voltage of U=150 V. Extraction of gases from the source placed in a vacuum chamber at room temperature for 48 h leads to the complete recovery of the emission properties. One can assume that the degradation of the emission properties of the sources is associated with the adsorption of helium atoms by carbon nanotubes at low temperatures. We did not observe any degradation of the emission properties of the charge sources in the case of positive charges injection into superfluid helium.

  11. NUMERICAL SIMULATION FOR DYNAMIC INITIAL SHOCK PARAMETERS OF COUPLING CHARGE ON BOREHOLE WALL UNDER THE ACTION OF HIGH EXPLOSIVES

    Institute of Scientific and Technical Information of China (English)

    倪芝芳; 李玉民

    1996-01-01

    According to detonation theory and hydrodynamic principle, a physical model has been set up in this paper. Based on the model a methodology for calculating dynamic initial shock parameters such as shock pressure p,,, shock wave velosity Dm etc. of coupling charge on borehole wall has ben developed. The shock parameters have been calculated when high explosives works on granite, limestone and marble respectively. The magnitude of every parameter on borehole wall has been obtained from ignited dot to the end of borehole along axial direction. Some important conclusions are also gained.

  12. On the dual equivalence of the Born-Infeld-Chern-Simons model coupled to dynamical U(1) charged matter

    CERN Document Server

    Bazeia, D; Nascimento, J R S; Ribeiro, R F; Wotzasek, C

    2001-01-01

    We study the equivalence between a nonlinear self-dual model (NSD) with the Born-Infeld-Chern-Simons (BICS) models using an iterative gauge embedding procedure that produces the duality mapping, including the case where the NSD model is minimally coupled to dynamical, U(1) charged fermionic matter. The duality mapping introduces a current-current interaction term while at the same time the minimal coupling of the original nonlinear self-dual model is replaced by a non-minimal magnetic like coupling in the BICS side.

  13. Charge Carrier Hopping Dynamics in Homogeneously Broadened PbS Quantum Dot Solids.

    Science.gov (United States)

    Gilmore, Rachel H; Lee, Elizabeth M Y; Weidman, Mark C; Willard, Adam P; Tisdale, William A

    2017-02-08

    Energetic disorder in quantum dot solids adversely impacts charge carrier transport in quantum dot solar cells and electronic devices. Here, we use ultrafast transient absorption spectroscopy to show that homogeneously broadened PbS quantum dot arrays (σhom(2):σinh(2) > 19:1, σinh/kBT quantum dot batches are sufficiently monodisperse (δ ≲ 3.3%). The homogeneous line width is found to be an inverse function of quantum dot size, monotonically increasing from ∼25 meV for the largest quantum dots (5.8 nm diameter/0.92 eV energy) to ∼55 meV for the smallest (4.1 nm/1.3 eV energy). Furthermore, we show that intrinsic charge carrier hopping rates are faster for smaller quantum dots. This finding is the opposite of the mobility trend commonly observed in device measurements but is consistent with theoretical predictions. Fitting our data to a kinetic Monte Carlo model, we extract charge carrier hopping times ranging from 80 ps for the smallest quantum dots to over 1 ns for the largest, with the same ethanethiol ligand treatment. Additionally, we make the surprising observation that, in slightly polydisperse (δ ≲ 4%) quantum dot solids, structural disorder has a greater impact than energetic disorder in inhibiting charge carrier transport. These findings emphasize how small improvements in batch size dispersity can have a dramatic impact on intrinsic charge carrier hopping behavior and will stimulate further improvements in quantum dot device performance.

  14. High Efficiency Regenerative Helium Compressor Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Helium plays several critical rolls in spacecraft propulsion. High pressure helium is commonly used to pressurize propellant fuel tanks. Helium cryocoolers can be...

  15. Cavitation in liquid helium

    Energy Technology Data Exchange (ETDEWEB)

    Finch, R. D.; Kagiwada, R.; Barmatz, M.; Rudnick, I.

    1963-11-15

    Ultrasonic cavitation was induced in liquid helium over the temperature range 1.2 to 2.3 deg K, using a pair of identical transducers. The transducers were calibrated using a reciprocity technique and the cavitation threshold was determined at 90 kc/s. It was found that this threshold has a sharp peak at the lambda point, but is, at all temperatures quite low, with an approximate range of 0.001 to 0.01 atm. The significance of the results is discussed. (auth)

  16. Research of Charging(Discharging Orderly and Optimizing Load Curve for Electric Vehicles Based on Dynamic Electric Price and V2G

    Directory of Open Access Journals (Sweden)

    Yang Shuai

    2016-01-01

    Full Text Available Firstly, using the Monte Carlo method and simulation analysis, this paper builds models for the behaviour of electric vehicles, the conventional charging model and the fast charging model. Secondly, this paper studies the impact that the number of electric vehicles which get access to power grid has on the daily load curve. Then, the paper put forwards a dynamic pricing mechanism of electricity, and studies how this dynamic pricing mechanism guides the electric vehicles to charge orderly. Last but not the least, the paper presents a V2G mechanism. Under this mechanism, electric vehicles can charge orderly and take part in the peak shaving. Research finds that massive electric vehicles’ access to the power grid will increase the peak-valley difference of daily load curve. Dynamic pricing mechanism and V2G mechanism can effectively lead the electric vehicles to take part in peak-shaving, and optimize the daily load curve.

  17. Normal-state charge dynamics in doped BaFe2As2: Roles of doping and necessary ingredients for superconductivity

    Science.gov (United States)

    Nakajima, M.; Ishida, S.; Tanaka, T.; Kihou, K.; Tomioka, Y.; Saito, T.; Lee, C. H.; Fukazawa, H.; Kohori, Y.; Kakeshita, T.; Iyo, A.; Ito, T.; Eisaki, H.; Uchida, S.

    2014-01-01

    In high-transition-temperature superconducting cuprates and iron arsenides, chemical doping plays an important role in inducing superconductivity. Whereas in the cuprate case, the dominant role of doping is to inject charge carriers, the role for the iron arsenides is complex owing to carrier multiplicity and the diversity of doping. Here, we present a comparative study of the in-plane resistivity and the optical spectrum of doped BaFe2As2, which allows for separation of coherent (itinerant) and incoherent (highly dissipative) charge dynamics. The coherence of the system is controlled by doping, and the doping evolution of the charge dynamics exhibits a distinct difference between electron and hole doping. It is found in common with any type of doping that superconductivity with high transition temperature emerges when the normal-state charge dynamics maintains incoherence and when the resistivity associated with the coherent channel exhibits dominant temperature-linear dependence. PMID:25077444

  18. The Lamb shift measurement in muonic helium ions

    Energy Technology Data Exchange (ETDEWEB)

    Diepold, Marc [Max-Planck-Institute of Quantum Optics, Garching (Germany); Collaboration: The CREMA Collaboration

    2013-07-01

    In 2013, the CREMA collaboration measured the 2S-2P transition frequencies (Lamb shift) in μ{sup 4}He {sup +} and μ{sup 3}He{sup +} using laser spectroscopy. This measurement achieved ten times more accurate values for the absolute nuclear charge radii of the lightest helium isotopes, as well as evaluate the μ{sup 3}He{sup +} hyperfine structure to determine the magnetic moment distribution of the {sup 3}He nucleus. Charge radii provided by this experiment will serve as a benchmark for few-nucleon nuclear models and as the basis for stringent tests of higher order bound-state QED contributions. In addition, the muonic helium measurements should be able to shed new light on the ''proton size puzzle'', i.e. the seven sigma discrepancy of our charge radius determination in muonic hydrogen and the 2009 CODATA value.

  19. Effect of Size and Surface Charge of Gold Nanoparticles on their Skin Permeability: A Molecular Dynamics Study.

    Science.gov (United States)

    Gupta, Rakesh; Rai, Beena

    2017-03-28

    Molecular level understanding of permeation of nanoparticles through human skin establishes the basis for development of novel transdermal drug delivery systems and design and formulation of cosmetics. Recent experiments suggest that surface coated nano-sized gold nanoparticles (AuNPs) can penetrate the rat and human skin. However, the mechanisms by which these AuNPs penetrate are not well understood. In this study, we have carried out coarse grained molecular dynamics simulations to explore the permeation of dodecanethiol coated neutral hydrophobic AuNPs of different sizes (2-5 nm) and surface charges (cationic and anionic) through the model skin lipid membrane. The results indicate that the neutral hydrophobic AuNPs disrupted the bilayer and entered in it with in ~200 ns, while charged AuNPs were adsorbed on the bilayer headgroup. The permeation free energy calculation revealed that at the head group of the bilayer, a very small barrier existed for neutral hydrophobic AuNP while a free energy minimum was observed for charged AuNPs. The permeability was maximum for neutral 2 nm gold nanoparticle (AuNP) and minimum for 3 nm cationic AuNP. The obtained results are aligned with recent experimental findings. This study would be helpful in designing customized nanoparticles for cosmetic and transdermal drug delivery application.

  20. Effect of Size and Surface Charge of Gold Nanoparticles on their Skin Permeability: A Molecular Dynamics Study

    Science.gov (United States)

    Gupta, Rakesh; Rai, Beena

    2017-01-01

    Molecular level understanding of permeation of nanoparticles through human skin establishes the basis for development of novel transdermal drug delivery systems and design and formulation of cosmetics. Recent experiments suggest that surface coated nano-sized gold nanoparticles (AuNPs) can penetrate the rat and human skin. However, the mechanisms by which these AuNPs penetrate are not well understood. In this study, we have carried out coarse grained molecular dynamics simulations to explore the permeation of dodecanethiol coated neutral hydrophobic AuNPs of different sizes (2–5 nm) and surface charges (cationic and anionic) through the model skin lipid membrane. The results indicate that the neutral hydrophobic AuNPs disrupted the bilayer and entered in it with in ~200 ns, while charged AuNPs were adsorbed on the bilayer headgroup. The permeation free energy calculation revealed that at the head group of the bilayer, a very small barrier existed for neutral hydrophobic AuNP while a free energy minimum was observed for charged AuNPs. The permeability was maximum for neutral 2 nm gold nanoparticle (AuNP) and minimum for 3 nm cationic AuNP. The obtained results are aligned with recent experimental findings. This study would be helpful in designing customized nanoparticles for cosmetic and transdermal drug delivery application. PMID:28349970

  1. Charge-transfer dynamics at the dye-semiconductor interface of photocathodes for solar energy applications.

    Science.gov (United States)

    Black, Fiona A; Wood, Christopher J; Ngwerume, Simbarashe; Summers, Gareth H; Clark, Ian P; Towrie, Michael; Camp, Jason E; Gibson, Elizabeth A

    2017-03-13

    This article describes a comparison between the photophysical properties of two charge-transfer dyes adsorbed onto NiO via two different binding moieties. Transient spectroscopy measurements suggest that the structure of the anchoring group affects both the rate of charge recombination between the dye and NiO surface and the rate of dye regeneration by an iodide/triiodide redox couple. This is consistent with the performance of the dyes in p-type dye sensitised solar cells. A key finding was that the recombination rate differed in the presence of the redox couple. These results have important implications on the study of electron transfer at dye|semiconductor interfaces for solar energy applications.

  2. Bond disproportionation and dynamical charge fluctuations in the perovskite rare-earth nickelates

    Science.gov (United States)

    Green, R. J.; Haverkort, M. W.; Sawatzky, G. A.

    2016-11-01

    We present a theory describing the local electronic properties of the perovskite rare-earth nickelates—materials which have negative charge transfer energies, strong O 2 p - Ni 3 d covalence, and breathing-mode lattice distortions at the origin of highly studied metal-insulator and antiferromagnetic ordering transitions. Utilizing a full-orbital, full-correlation double-cluster approach, we find strong charge fluctuations, in agreement with a bond disproportionation interpretation. The double-cluster formulation permits the inclusion of necessary orbital degeneracies and Coulomb interactions to calculate resonant x-ray spectral responses, with which we find excellent agreement with well-established experimental results. This previously absent, crucial link between theory and experiment provides validation of the recently proposed bond disproportionation theory, and provides an analysis methodology for spectroscopic studies of engineered phases of nickelates and other high-valence transition-metal compounds.

  3. A molecular dynamics study on the transport of a charged biomolecule in a polymeric adsorbent medium and its adsorption onto a charged ligand.

    Science.gov (United States)

    Riccardi, E; Wang, J-C; Liapis, A I

    2010-08-28

    The transport of a charged adsorbate biomolecule in a porous polymeric adsorbent medium and its adsorption onto the covalently immobilized ligands have been modeled and investigated using molecular dynamics modeling and simulations as the third part of a novel fundamental methodology developed for studying ion-exchange chromatography based bioseparations. To overcome computational challenges, a novel simulation approach is devised where appropriate atomistic and coarse grain models are employed simultaneously and the transport of the adsorbate is characterized through a number of locations representative of the progress of the transport process. The adsorbate biomolecule for the system studied in this work changes shape, orientation, and lateral position in order to proceed toward the site where adsorption occurs and exhibits decreased mass transport coefficients as it approaches closer to the immobilized ligand. Furthermore, because the ligands are surrounded by counterions carrying the same type of charge as the adsorbate biomolecule, it takes the biomolecule repeated attempts to approach toward a ligand in order to displace the counterions in the proximity of the ligand and to finally become adsorbed. The formed adsorbate-ligand complex interacts with the counterions and polymeric molecules and is found to evolve slowly and continuously from one-site (monovalent) interaction to multisite (multivalent) interactions. Such a transition of the nature of adsorption reduces the overall adsorption capacity of the ligands in the adsorbent medium and results in a type of surface exclusion effect. Also, the adsorption of the biomolecule also presents certain volume exclusion effects by not only directly reducing the pore volume and the availability of the ligands in the adjacent regions, but also causing the polymeric molecules to change to more compact structures that could further shield certain ligands from being accessible to subsequent adsorbate molecules. These

  4. Dynamics of radiation-induced charging and discharging of foil electrets

    Science.gov (United States)

    Fallone, B. G.; Podgorsak, E. B.

    1983-04-01

    The time dependence of the polarization and depolarization current densities, the effective electric field in the electret chamber, and the electret surface charge densities are presented for the radiation-induced foil electret. With the use of the hyperbolic dependence of the ionization-chamber current density on the effective electric field, one obtains excellent agreement between calculated and measured electret polarization and depolarization current densities.

  5. Field-Induced Dynamic Diamagnetism in a Charge-Density-Wave System

    Science.gov (United States)

    Harrison, N.; Mielke, C. H.; Christianson, A. D.; Brooks, J. S.; Tokumoto, M.

    2001-02-01

    ac susceptibility measurements of the charge-density-wave (CDW) compound α-\\(BEDT-TTF\\)2-KHg\\(SCN\\)4 at magnetic fields, μ0H>23 T, above its Pauli paramagnetic limit, reveal unambiguously that the magnetic hysteresis observed previously within this CDW phase is diamagnetic and can only be explained by induced currents. It is argued that the ensemble of experimental techniques amounts to a strong case for dissipationless conductivity within this phase.

  6. Solute and solvent dynamics in confined equal-sized aqueous environments of charged and neutral reverse micelles: a combined dynamic fluorescence and all-atom molecular dynamics simulation study.

    Science.gov (United States)

    Guchhait, Biswajit; Biswas, Ranjit; Ghorai, Pradip K

    2013-03-28

    Here a combined dynamic fluorescence and all-atom molecular dynamics simulation study of aqueous pool-size dependent solvation energy and rotational relaxations of a neutral dipolar solute, C153, trapped in AOT (charged) and IGPAL (neutral) reverse micelles (RMs) at 298 K, is described. RMs in simulations have been represented by a reduced model where SPC/E water molecules interact with a trapped C153 that possesses realistic charge distributions for both ground and excited states. In large aqueous pools, measured average solvation and rotation rates are smaller for the neutral RMs than those in charged ones. Interestingly, while the measured average solvation and rotation rates increase with pool size for the charged RMs, the average rotation rates for the neutral RMs exhibit a reverse dependence. Simulations have qualitatively reproduced this experimental trend and suggested interfacial location for the solute for all cases. The origin for the subnanosecond Stokes shift dynamics has been investigated and solute-interface interaction contribution quantified. Simulated layer-wise translational and rotational diffusions of water molecules re-examine the validity of the core-shell model and provide a resolution to a debate regarding the origin of the subnanosecond solvation component in dynamic Stokes shift measurements with aqueous RMs but not detected in ultrafast IR measurements.

  7. Static and Dynamical Valence-Charge-Density Properties of GaAs

    Science.gov (United States)

    Pietsch, Ullrich

    1993-02-01

    Owing to the close neighbourhood of Ga and As in Mendeleev's table, GaAs shows two fundamental classes of X-ray structure amplitudes distinguished by their extremely different scattering power. They are differently sensitive to the valence electron density (VED) redistribution caused by the chemical bond and must be measured by different experimental methods. Using such data, both the VED and the difference electron densities (DED) are calculated here. Comparison with theoret-ical densities shows that the VED is characterized by covalent, ionic and metallic contributions. The DED constructed from GaAs and Ge data demonstrates the electronic response caused by a "protonic" charge transfer between both f.c.c. sublattices as well as the transition from a purely covalent to a mixed covalent-ionic bond. Especially the charge-density accumulation between nearest neighbours (bond charge (BC)) depends on the distance between the bonding atoms and changes under the influence of any lattice deformation. This phenomenon is described by a BC-transfer model. Its direct experimental proof is given by measuring the variation of the scattering power of weak reflections under the influence of an external electric field. This experiment demonstrates that the ionicity of the bond changes in addition to the BC variation.

  8. Electron-phonon coupling reflecting dynamic charge inhomogeneity in copper oxide superconductors.

    Science.gov (United States)

    Reznik, D; Pintschovius, L; Ito, M; Iikubo, S; Sato, M; Goka, H; Fujita, M; Yamada, K; Gu, G D; Tranquada, J M

    2006-04-27

    The attempt to understand copper oxide superconductors is complicated by the presence of multiple strong interactions in these systems. Many believe that antiferromagnetism is important for superconductivity, but there has been renewed interest in the possible role of electron-lattice coupling. The conventional superconductor MgB2 has a very strong electron-lattice coupling, involving a particular vibrational mode (phonon) that was predicted by standard theory and confirmed quantitatively by experiment. Here we present inelastic scattering measurements that show a similarly strong anomaly in the Cu-O bond-stretching phonon in the copper oxide superconductors La(2-x)Sr(x)CuO4 (with x = 0.07, 0.15). Conventional theory does not predict such behaviour. The anomaly is strongest in La(1.875)Ba(0.125)CuO4 and La(1.48)Nd(0.4)Sr(0.12)CuO4, compounds that exhibit spatially modulated charge and magnetic order, often called stripe order; it occurs at a wave vector corresponding to the charge order. These results suggest that this giant electron-phonon anomaly, which is absent in undoped and over-doped non-superconductors, is associated with charge inhomogeneity. It follows that electron-phonon coupling may be important to our understanding of superconductivity, although its contribution is likely to be indirect.

  9. Charge state dynamics of the nitrogen vacancy center in diamond under near-infrared excitation

    Science.gov (United States)

    Ji, Peng; Dutt, M. V. Gurudev

    2016-05-01

    The negatively charged NV defect center (NV-) in diamond has become prominent for applications in quantum information, nanoscale magnetic and electric field sensing, and fluorescent biological markers. Switching between NV- and neutral charge states (NV0) have been extensively studied and modeled using exciting laser wavelengths that are shorter than the NV- zero-phonon line (ZPL), and typically result in decreased fluorescence from the NV- state. In this work, we report on the experimental observation that NV0 converts to NV- under excitation with near-infrared (1064 nm) light, resulting in increased fluorescence from the NV- state. We have observed this effect in both ensembles of NVs in bulk diamond, and in diamond nanocrystals, and find that it is robust both at room and low temperature. We carried out microwave and two-color excitation combined with spectral and time-resolved experimental studies. We used rate-equation modeling and find evidence for competition between one-photon and two-photon processes for hole and electron ionization. This finding may help elucidate the study of the NV energy level structure, and impact recently emerging research in single-shot measurement of the NV- spin state via spin-to-charge conversion.

  10. Regimes Of Helium Burning

    CERN Document Server

    Timmes, F X

    2000-01-01

    The burning regimes encountered by laminar deflagrations and ZND detonations propagating through helium-rich compositions in the presence of buoyancy-driven turbulence are analyzed. Particular attention is given to models of X-ray bursts which start with a thermonuclear runaway on the surface of a neutron star, and the thin shell helium instability of intermediate-mass stars. In the X-ray burst case, turbulent deflagrations propagating in the lateral or radial directions encounter a transition from the distributed regime to the flamlet regime at a density of 10^8 g cm^{-3}. In the radial direction, the purely laminar deflagration width is larger than the pressure scale height for densities smaller than 10^6 g cm^{-3}. Self-sustained laminar deflagrations travelling in the radial direction cannot exist below this density. Similarily, the planar ZND detonation width becomes larger than the pressure scale height at 10^7 g cm^{-3}, suggesting that a steady-state, self-sustained detonations cannot come into exista...

  11. Delta: a charge sensitive front-end amplifier with switched gain for low-noise, large dynamic range silicon detector readout

    NARCIS (Netherlands)

    Aspell, P.; Barney, D.; Bloch, P.; Jarron, P.; Lofstedt, B.; Reynaud, S.; Tabbers, P.

    2001-01-01

    The design and results of a radiation hard switched gain charge amplifier optimised for a large dynamic range and large input capacitance are described. The peaking time is 25 ns, dynamic ranges are 0.1–50 minimum ionising particles (MIPs) (high gain) and 1–400 MIPs (low gain), signal to noise (S/N)

  12. Femtosecond Hydrogen Bond Dynamics of Bulk-like and Bound Water at Positively and Negatively Charged Lipid Interfaces Revealed by 2D HD-VSFG Spectroscopy.

    Science.gov (United States)

    Singh, Prashant Chandra; Inoue, Ken-Ichi; Nihonyanagi, Satoshi; Yamaguchi, Shoichi; Tahara, Tahei

    2016-08-26

    Interfacial water in the vicinity of lipids plays an important role in many biological processes, such as drug delivery, ion transportation, and lipid fusion. Hence, molecular-level elucidation of the properties of water at lipid interfaces is of the utmost importance. We report the two-dimensional heterodyne-detected vibrational sum frequency generation (2D HD-VSFG) study of the OH stretch of HOD at charged lipid interfaces, which shows that the hydrogen bond dynamics of interfacial water differ drastically, depending on the lipids. The data indicate that the spectral diffusion of the OH stretch at a positively charged lipid interface is dominated by the ultrafast (dynamics, while the dynamics at a negatively charged lipid interface exhibit sub-picosecond dynamics almost exclusively, implying that fast hydrogen bond fluctuation is prohibited. These results reveal that the ultrafast hydrogen bond dynamics at the positively charged lipid-water interface are attributable to the bulk-like property of interfacial water, whereas the slow dynamics at the negatively charged lipid interface are due to bound water, which is hydrogen-bonded to the hydrophilic head group.

  13. Ion optics and beam dynamics optimization at the HESR storage ring for the SPARC experiments with highly charged heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Kovalenko, Oleksandr

    2015-06-24

    The High-Energy Storage Ring (HESR) is a part of an upcoming International Facility for Antiproton and Ion Research (FAIR) at GSI in Darmstadt. A key part of a scientific program, along with antiproton physics, will be physics with highly-charged heavy ions. Phase-space cooled beams together with fixed internal target will provide an excellent environment for storage ring experiments at the HESR for the SPARC collaboration. Until recently, however, the existing ion optical lattice for the HESR was designed only for the experiments with antiproton beams. The thesis presents a new ion optical mode developed specifically for the operation of the HESR with highly charged heavy ions. The presence of the errors, such as beam momentum spread, magnetic field impurities or magnets misalignments, leads to disruption of beam dynamics: exciting of resonant motion and loss of beam stability. Within the paper, these effects are investigated with the help of numerical codes for particle accelerator design and simulation MAD-X and MIRKO. A number of correction techniques are applied to minimize the nonlinear impact on the beam dynamics and improve the experimental conditions. The application of the analytical and numerical tools is demonstrated in the experiment with uranium U{sup 90+} beam at the existing storage ring ESR, GSI.

  14. Scalar field as an intrinsic time measure in coupled dynamical matter-geometry systems. II. Electrically charged gravitational collapse

    CERN Document Server

    Nakonieczna, Anna

    2016-01-01

    Investigating the dynamics of gravitational systems, especially in the regime of quantum gravity, poses a problem of measuring time during the evolution. One of the approaches to this issue is using one of the internal degrees of freedom as a time variable. The objective of our research was to check whether a scalar field or any other dynamical quantity being a part of a coupled multi-component matter-geometry system can be treated as a `clock' during its evolution. We investigated a collapse of a self-gravitating electrically charged scalar field in the Einstein and Brans-Dicke theories using the 2+2 formalism. Our findings concentrated on the spacetime region of high curvature existing in the vicinity of the emerging singularity, which is essential for the quantum gravity applications. We investigated several values of the Brans-Dicke coupling constant and the coupling between the Brans-Dicke and the electrically charged scalar fields. It turned out that both evolving scalar fields and a function which meas...

  15. Helium diffusion in carbonates

    Science.gov (United States)

    Amidon, W. H.; Cherniak, D. J.; Watson, E. B.; Hobbs, D.

    2013-12-01

    The abundance and large grain size of carbonate minerals make them a potentially attractive target for 4He thermochronology and 3He cosmogenic dating, although the diffusive properties of helium in carbonates remain poorly understood. This work characterizes helium diffusion in calcite and dolomite to better understand the crystal-chemical factors controlling He transport and retentivity. Slabs of cleaved natural calcite and dolomite, and polished sections of calcite cut parallel or normal to c, were implanted with 3He at 3 MeV with a dose of 5x1015/cm2. Implanted carbonates were heated in 1-atm furnaces, and 3He distributions following diffusion anneals were profiled with Nuclear Reaction Analysis using the reaction 3He(d,p)4He. For 3He transport normal to cleavage surfaces in calcite, we obtain the following Arrhenius relation over the temperature range 78-300°C: Dcalcite = 9.0x10-9exp(-55 × 6 kJ mol-1/RT) m2sec-1. Diffusion in calcite exhibits marked anisotropy, with diffusion parallel to c about two orders of magnitude slower than diffusion normal to cleavage faces. He diffusivities for transport normal to the c-axis are similar in value to those normal to cleavage surfaces. Our findings are broadly consistent with helium diffusivities from step-heating measurements of calcite by Copeland et al. (2007); these bulk degassing data may reflect varying effects of diffusional anisotropy. Helium diffusion normal to cleavage surfaces in dolomite is significantly slower than diffusion in calcite, and has a much higher activation energy for diffusion. For dolomite, we obtain the following Arrhenius relation for He diffusion over the temperature range 150-400°C: Ddolomite = 9.0x10-8exp(-92 × 9 kJ mol-1/RT) m2sec-1. The role of crystallographic structure in influencing these differences among diffusivities was evaluated using the maximum aperture approach of Cherniak and Watson (2011), in which crystallographic structures are sectioned along possible diffusion

  16. Excited state and charge dynamics of hybrid organic/inorganic heterojunctions. II. Experiment

    Science.gov (United States)

    Panda, Anurag; Renshaw, C. Kyle; Oskooi, Ardavan; Lee, Kyusang; Forrest, Stephen R.

    2014-07-01

    In our companion paper (Paper I) [C. K. Renshaw and S. R. Forrest, Phys. Rev. B 90, 045302 (2014), 10.1103/PhysRevB.90.045302], we developed a model for charge transport and photogeneration at hybrid organic/inorganic semiconductor heterojunctions (OI-HJs). Here we apply the model to two planar bilayer hybrid photovoltaic devices: the first using the wide-band gap n-TiO2 in combination with the hole transporting tetraphenyl-dibenzoperiflanthene (DBP), and the second based on the moderate-band gap n-InP and the hole transporting pentacene (PEN). We measure the external quantum efficiency (EQE) and current density vs voltage (J-V) characteristics of both devices as functions of temperature. The EQE spectra for both TiO2/DBP and InP/PEN provide convincing evidence that Frenkel states generated in the organic form hybrid charge transfer excitons (HCTEs) at the OI-HJ that are subsequently dissociated into free charges, and then collected at the opposing electrodes. The dissociation efficiency is found to be strongly influenced by the presence of surface states, particularly in the InP/PEN device. We further develop the J-V model from Paper I to include an analytical expression for space-charge effects in the organic at high currents. Model fits to the J-V data suggest that the temperature-dependent hole mobilities in both DBP and PEN result in increasing space-charge effects at low temperatures. Furthermore, we find that the J-V characteristics of the TiO2/DBP device both in the dark and under illumination are governed by interface recombination. In contrast, the dark current in the InP/PEN device is governed by injection over the OI-HJ barrier, whereas the photocurrent is dominated by interface recombination. This work elucidates the role of the HCTE state in photogeneration, and the applicability of our model to a range of important optoelectronic devices.

  17. Helium in near Earth orbit

    CERN Document Server

    Alcaraz, J; Ambrosi, G; Anderhub, H; Ao, L; Arefev, A; Azzarello, P; Babucci, E; Baldini, L; Basile, M; Barancourt, D; Barão, F; Barbier, G; Barreira, G; Battiston, R; Becker, R; Becker, U; Bellagamba, L; Béné, P; Berdugo, J; Berges, P; Bertucci, B; Biland, A; Bizzaglia, S; Blasko, S; Bölla, G; Boschini, M; Bourquin, Maurice; Brocco, L; Bruni, G; Buénerd, M; Burger, J D; Burger, W J; Cai, X D; Camps, C; Cannarsa, P; Capell, M; Casadei, D; Casaus, J; Castellini, G; Cecchi, C; Chang, Y H; Chen, H F; Chen, H S; Chen, Z G; Chernoplekov, N A; Tzi Hong Chiueh; Chuang, Y L; Cindolo, F; Commichau, V; Contin, A; Cristinziani, M; Da Cunha, J P; Dai, T S; Deus, J D; Dinu, N; Djambazov, L; D'Antone, I; Dong, Z R; Emonet, P; Engelberg, J; Eppling, F J; Eronen, T; Esposito, G; Extermann, Pierre; Favier, Jean; Fiandrini, E; Fisher, P H; Flügge, G; Fouque, N; Galaktionov, Yu; Gervasi, M; Giusti, P; Grandi, D; Grimm, O; Gu, W Q; Hangarter, K; Hasan, A; Hermel, V; Hofer, H; Huang, M A; Hungerford, W; Ionica, M; Ionica, R; Jongmanns, M; Karlamaa, K; Karpinski, W; Kenney, G; Kenny, J; Kim, W; Klimentov, A; Kossakowski, R; Koutsenko, V F; Kräber, M H; Laborie, G; Laitinen, T; Lamanna, G; Laurenti, G; Lebedev, A; Lee, S C; Levi, G; Levchenko, P M; Liu, C L; Liu Hong Tao; Lopes, I; Lu, G; Lü, Y S; Lübelsmeyer, K; Luckey, D; Lustermann, W; Maña, C; Margotti, A; Mayet, F; McNeil, R R; Meillon, B; Menichelli, M; Mihul, A; Mourão, A M; Mujunen, A; Palmonari, F; Papi, A; Park, I H; Pauluzzi, M; Pauss, Felicitas; Perrin, E; Pesci, A; Pevsner, A; Pimenta, M; Plyaskin, V; Pozhidaev, V; Pohl, M; Postolache, V; Produit, N; Rancoita, P G; Rapin, D; Raupach, F; Ren, D; Ren, Z; Ribordy, M; Richeux, J P; Riihonen, E; Ritakari, J; Röser, U; Roissin, C; Sagdeev, R; Sartorelli, G; Schultz von Dratzig, A; Schwering, G; Scolieri, G; Seo, E S; Shoutko, V; Shoumilov, E; Siedling, R; Son, D; Song, T; Steuer, M; Sun, G S; Suter, H; Tang, X W; Ting, Samuel C C; Ting, S M; Tornikoski, M; Torsti, J; Trümper, J E; Ulbricht, J; Urpo, S; Usoskin, I; Valtonen, E; Van den Hirtz, J; Velcea, F; Velikhov, E P; Verlaat, B; Vetlitskii, I; Vezzu, F; Vialle, J P; Viertel, Gert M; Vitè, Davide F; Von Gunten, H P; Waldmeier-Wicki, S; Wallraff, W; Wang, B C; Wang, J Z; Wang, Y H; Wiik, K; Williams, C; Wu, S X; Xia, P C; Yan, J L; Yan Lu Guang; Yang, C G; Yang, M; Ye Shu Wei; Yeh, P; Xu, Z Z; Zhang, H Y; Zhang, Z P; Zhao, D X; Zhu, G Y; Zhu, W Z; Zhuang, H L; Zichichi, A; Zimmermann, B; Zuccon, P

    2000-01-01

    The helium spectrum from 0.1 to 100 GeV/nucleon was measured by the Alpha Magnetic Spectrometer (AMS) during space shuttle flight STS-91 at altitudes near 380 km. Above the geomagnetic cutoff the spectrum is parameterized by a power law. Below the geomagnetic cutoff a second helium spectrum was observed. In the second helium spectra over the energy range 0.1 to 1.2 GeV/nucleon the flux was measured to be (6.3+or-0.9)*10/sup -3/ (m/sup 2/ sec sr)/sup -1/ and more than ninety percent of the helium was determined to be /sup 3/He (at the 90% CL). Tracing helium from the second spectrum shows that about half of the /sup 3/He travel for an extended period of time in the geomagnetic field and that they originate from restricted geographic regions similar to protons and positrons. (22 refs).

  18. Self-Consistent Determination of Atomic Charges of Ionic Liquid through a Combination of Molecular Dynamics Simulation and Density Functional Theory.

    Science.gov (United States)

    Ishizuka, Ryosuke; Matubayasi, Nobuyuki

    2016-02-09

    A self-consistent scheme is developed to determine the atomic partial charges of ionic liquid. Molecular dynamics (MD) simulation was conducted to sample a set of ion configurations, and these configurations were subject to density functional theory (DFT) calculations to determine the partial charges. The charges were then averaged and used as inputs for the subsequent MD simulation, and MD and DFT calculations were repeated until the MD results are not altered any more. We applied this scheme to 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ([C1mim][NTf2]) and investigated its structure and dynamics as a function of temperature. At convergence, the average ionic charges were ±0.84 e at 350 K due to charge transfer among ions, where e is the elementary charge, while the reduced ionic charges do not affect strongly the density of [C1mim][NTf2] and radial distribution function. Instead, major effects are found on the energetics and dynamics, with improvements of the overestimated heat of vaporization and the too slow motions of ions observed in MD simulations using commonly used force fields.

  19. Effects of helium on titanium films and the helium diffusion

    Institute of Scientific and Technical Information of China (English)

    SONG YingMin; LUO ShunZhong; LONG XingGui; AN Zhu; LIU Ning; PANG HongChao; WU XingChun; YANG BenFu; ZHENG SiXiao

    2008-01-01

    Using direct current-magnetron sputtering, Helium-trapped Ti films with a He/Ar mixture was studied. The relative helium content, helium depth profiles for the Ti films and crystallization capacity were analyzed by Enhanced Proton Backscattering Spectrometry (EPBS) and X-ray diffraction (XRD). It was found that helium diffusion enhanced as more helium trapping into Ti films, and the He holding ratios were 95.9%, 94.9%, 93.9%, 82.8% when the Ti films with the He/Ti of concentrations of 9.7 at.Q, 19.5 at.Q, 19.7 at.Q, 48.3 at.% were measured again 4 months later, respectively. The diffraction peaks be-came weak and wider, the peak of (002) plane was shifted to smaller diffraction angles and the relevant interplanar spacing d(hkl) increased gradually as more helium trapping into Ti films. The main peak was made trending to the (101) plane by both higher deposition temperature and more helium trapping.

  20. Atomistic simulation of helium bubble nucleation in palladium

    Energy Technology Data Exchange (ETDEWEB)

    Wang Liang [Department of Applied Physics, Hunan University, Changsha 410082 (China); Hu, Wangyu [Department of Applied Physics, Hunan University, Changsha 410082 (China)], E-mail: wangyuhu2001cn@yahoo.com.cn; Xiao Shifang [Department of Applied Physics, Hunan University, Changsha 410082 (China)], E-mail: sfxiao@yahoo.com.cn; Yang Jianyu [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China); Deng Huiqiu [Department of Applied Physics, Hunan University, Changsha 410082 (China)

    2009-09-15

    A palladium crystal has been constructed with 11808 atoms. 55 helium atoms occupied the octahedral position of palladium crystal are introduced and retained in a spherical region. Molecular dynamic simulations are performed in a constant temperature and constant volume ensemble (NVT) with temperature controlled by Nose-Hoover thermostat. The interactions between palladium atoms are described with modified analytic embedded atom method (MAEAM), the interactions between palladium atom and helium atom are in the form of Morse potential, and the interactions between helium atoms are in the form of L-J potential function. With the analysis of the radial distribution function (RDF) and microstructure, it reveals that some of helium atoms form a series of clusters with different size, and the nucleation core is random at low temperature, and which is the embryo of helium bubble. Increasing temperature can accelerate the process of bubble nucleation, and the clusters will aggregate and coalesce into a bigger one in which there are no palladium atoms, and it is considered as a helium bubble.

  1. Electrophoretic behavior of charge regulated zwitter ionic buffers in covalently and dynamically coated fused silica capillaries

    Directory of Open Access Journals (Sweden)

    Medhat A. Al-Ghobashy

    2014-06-01

    Full Text Available In this work, the electrophoretic behavior of zwitterionic buffers is investigated in the absence of electroosmotic flow (EOF. Electro mobilization of capillary contents is noted when zwitterionic buffers are employed as the background electrolyte at a pH where the buffering moiety carries a net charge. The bulk flow of capillary contents was demonstrated via monitoring the migration of a neutral marker as well as a free and micellar negatively charged marker and SDS–protein complexes. This electrolyte-driven mobilization (EDM was investigated in detail using 4-(2-hydroxyethylpiprazine-1-ethanesulfonic acid (HEPES buffer over a wide pH range (pH 4.0–8.0. Results confirmed that at a pH where HEPES molecules carry a net negative charge, a bulk flow toward the anode is observed. This was attributed to the migration of HEPES ions toward the anode along with their hydration shells. The relatively large difference in size and solvation number between the ionic buffering moiety and its counter-migrating ions (Na+ or H+ resulted in such a net movement. Results indicated that at constant voltage, plotting the measured current versus buffer pH can be used for determination of the isoelectric point of the zwitterionic buffering moiety. Furthermore, this novel mobilization modality was demonstrated using five different HEPES analogs over pH range 5.0–8.0. More in depth investigations are required in order to explore the applicability of EDM in coated capillaries of different wall chemistries and dimensions.

  2. Decoherence dynamics of a charge qubit coupled to the noise bath

    Institute of Scientific and Technical Information of China (English)

    Yang Qin-Ying; Liang Bao-Long; Wang Ji-Suo

    2013-01-01

    By virtue of the canonical quantization method,we present a quantization scheme for a charge qubit based on the superconducting quantum interference device (SQUID),taking the self-inductance of the loop into account.Under reasonable short-time approximation,we study the effect of decoherence in the ohmic case by employing the response function and the norm.It is confirmed that the decoherence time,which depends on the parameters of the circuit components,the coupling strength,and the temperature,can be as low as several picoseconds,so there is enough time to record the information.

  3. Influence of Exciton Lifetime on Charge Carrier Dynamics in an Organic Heterostructure

    Energy Technology Data Exchange (ETDEWEB)

    Agrawal, Kanika L.; Sykes, Matthew E; An, Kwang Hyup; Friedberg, Bradley; Green, Peter F.; Shtein, Max

    2013-03-18

    Interactions between charge carriers and excitons, as well as between excitons and optical cavity modes in organic optoelectronic devices are fundamental to their operational limits and chief in preventing the realization of certain phenomena, such as electrically pumped organic lasing. We uncovered a previously unreported phenomenon, wherein optical cavity-modulated exciton decay rate leads to a concomitant modulation in the electrical current of an archetypal NPD/Alq₃ organic light emitting device operated in forward bias. The magnitude of this variation is sensitive to the local dielectric environment of the device and is found to be as large as 15%.

  4. Dynamics of test particles in the five-dimensional, charged, rotating EMCS spacetime

    CERN Document Server

    Reimers, Stephan

    2016-01-01

    We derive the complete set of geodesic equations for massive and massless test particles of a five-dimensional, charged, rotating black hole solution of the Einstein-Maxwell-Chern-Simons field equations in five-dimensional minimal gauged supergravity and present their analytical solutions in terms of Weierstra{\\ss}' elliptic functions. We study the polar and radial motion, depending on the black hole and test particle parameters, and characterize the test particle motion qualitatively by the means of effective potentials. We use the analytical solutions in order to visualize the test particle motion by two- and three-dimensional plots.

  5. Charge Recombination, Transport Dynamics, and Interfacial Effects in Organic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Heeger, Alan [Univ. of California, Santa Barbara, CA (United States); Bazan, Guillermo [Univ. of California, Santa Barbara, CA (United States); Nguyen, Thuc-Quyen [Univ. of California, Santa Barbara, CA (United States); Wudl, Fred [Univ. of California, Santa Barbara, CA (United States)

    2015-02-12

    The need for renewable sources of energy is well known. Conversion of sunlight to electricity using solar cells is one of the most important opportunities for creating renewable energy sources. The research carried out under DE-FG02-08ER46535 focused on the science and technology of “Plastic” solar cells comprised of organic (i.e. carbon based) semiconductors. The Bulk Heterojunction concept involves a phase separated blend of two organic semiconductors each with dimensions in the nano-meter length scale --- one a material that functions as a donor for electrons and the other a material that functions as an acceptor for electrons. The nano-scale inter-penetrating network concept for “Plastic” solar cells was created at UC Santa Barbara. A simple measure of the impact of this concept can be obtained from a Google search which gives 244,000 “hits” for the Bulk Heterojunction solar cell. Research funded through this program focused on four major areas: 1. Interfacial effects in organic photovoltaics, 2. Charge transfer and photogeneration of mobile charge carriers in organic photovoltaics, 3. Transport and recombination of the photogenerated charge carriers in organic photovoltaics, 4. Synthesis of novel organic semiconducting polymers and semiconducting small molecules, including conjugated polyelectrolytes. Following the discovery of ultrafast charge transfer at UC Santa Barbara in 1992, the nano-organic (Bulk Heterojunction) concept was formulated. The need for a morphology comprising two interpenetrating bicontinuous networks was clear: one network to carry the photogenerated electrons (negative charge) to the cathode and one network to carry the photo-generated holes (positive charge) to the anode. This remarkable self-assembled network morphology has now been established using Transmission electron Microscopy (TEM) either in the Phase Contrast mode or via TEM-Tomography. The steps involved in delivering power from a solar cell to an external circuit

  6. Charge Recombination, Transport Dynamics, and Interfacial Effects in Organic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Heeger, Alan; Bazan, Guillermo; Nguyen, Thuc-Quyen; Wudl, Fred

    2015-02-27

    The need for renewable sources of energy is well known. Conversion of sunlight to electricity using solar cells is one of the most important opportunities for creating renewable energy sources. The research carried out under DE-FG02-08ER46535 focused on the science and technology of “Plastic” solar cells comprised of organic (i.e. carbon based) semiconductors. The Bulk Heterojunction concept involves a phase separated blend of two organic semiconductors each with dimensions in the nano-meter length scale --- one a material that functions as a donor for electrons and the other a material that functions as an acceptor for electrons. The nano-scale inter-penetrating network concept for “Plastic” solar cells was created at UC Santa Barbara. A simple measure of the impact of this concept can be obtained from a Google search which gives 244,000 “hits” for the Bulk Heterojunction solar cell. Research funded through this program focused on four major areas: 1. Interfacial effects in organic photovoltaics, 2. Charge transfer and photogeneration of mobile charge carriers in organic photovoltaics, 3. Transport and recombination of the photogenerated charge carriers in organic photovoltaics, 4. Synthesis of novel organic semiconducting polymers and semiconducting small molecules, including conjugated polyelectrolytes. Following the discovery of ultrafast charge transfer at UC Santa Barbara in 1992, the nano-organic (Bulk Heterojunction) concept was formulated. The need for a morphology comprising two interpenetrating bicontinuous networks was clear: one network to carry the photogenerated electrons (negative charge) to the cathode and one network to carry the photo-generated holes (positive charge) to the anode. This remarkable self-assembled network morphology has now been established using Transmission electron Microscopy (TEM) either in the Phase Contrast mode or via TEM-Tomography. The steps involved in delivering power from a solar cell to an external circuit

  7. Multi-state charge transfer dynamics and trapping of hyperthermal and low energy alkali ions

    Science.gov (United States)

    Dahl, Eric Brian

    Experimental and theoretical studies were performed of the scattering of hyperthermal and keV energy Lisp+ and Nasp+ ions from Cu(001) surfaces. Chapter one presents measurements of relative total Li(2p) and Na(3p) yields, for 400 eV Lisp+ and 1320 eV Nasp+ scattering from clean and alkali-covered Cu(001). These excited-state yields were measured because they provide a sensitive test of multi-state models of resonant charge transfer, that is, models that are capable of treating more than two atomic states. Chapter two presents a detailed conceptual analysis of two multi-state models: a rate-equation model and the Marston model. The rate-equation model fails to reproduce the measured Li(2p) and Na(3p) yields, whereas the Marston model reproduces the primary trends in the yields. The different behaviors of these models are explained by physical reasoning. The rate-equation model is a fundamentally flawed description of resonant charge transfer, because it includes neither hybridization nor non-adiabatic excitations. Both aspects of resonant charge transfer are required to explain the Li(2p) and Na(3p) yields. These aspects are included in the Marston model, which describes the atom-metal system quantum-mechanically. The quantum mechanics of the atom-metal system can be understood from a physical viewpoint by the use of a few basic principles-principles which are broadly applicable to resonant charge transfer. A key principle is the tendency of the atom-metal system to electronically equilibrate throughout the scattering trajectory of an atom. Additional principles follow from an examination of the many-electron basis states of the atom-metal system. Chapter three presents measurements of the probability that 5 to 600 eV Nasp+ ions incident on Cu(001) become trapped on top of the surface. At a near-normal incident geometry the on-top trapping probability decreased monotonically as the incident energy was decreased. At 45sp° incidence along the azimuth, a surprising

  8. On the shear strength of tungsten nano-structures with embedded helium

    Science.gov (United States)

    Smirnov, R. D.; Krasheninnikov, S. I.

    2013-08-01

    Modification of plastic properties of tungsten nano-structures under shear stress load due to embedded helium atoms is studied using molecular dynamics modelling. The modelling demonstrates that the yield strength of tungsten nano-structures reduces significantly with increasing embedded helium concentration. At high helium concentrations (>10 at%), the yield strength decreases to values characteristic to the pressure in helium nano-bubbles, which are formed in tungsten under such conditions and thought to be responsible for the formation of nano-fuzz on tungsten surfaces irradiated with helium plasma. It is also shown that tungsten plastic flow strongly facilitates coagulation of helium clusters to larger bubbles. The temperature dependencies of the yield strength are obtained.

  9. Glass transition dynamics and charge carrier mobility in conjugated polyfluorene thin films

    Science.gov (United States)

    Qin, Hui; Liu, Dan; Wang, Tao

    Conjugated polymers are commonly used in organic optoelectronic devices, e.g. organic photovoltaics (OPVs), light-emitting diodes (LEDs) and field effect transistors (FETs). In these devices, the conjugated polymers are prepared as thin films with thicknesses in the range of tens to hundreds of nanometers, and are interfaced with different function layers made from organic or inorganic materials. We have studied the glass transition temperature (Tg) of poly(9, 9-dioctylfluorene)-co-N-(1, 4-butylphenyl)diphenylamine) (TFB) thin films supported on different substrates, as well as their SCLC charge carrier mobility in photodiodes. Both Monotonic and non-monotonic Tg deviations are observed in TFB thin films supported on Si/SiOx and PEDOT:PSS, respectively. With low to moderate thermal crosslinking, the thickness dependent Tg deviation still exists, which diminishes in TFB films with a high crosslinking degree. The vertical charge carrier mobility of TFB thin films extracted from the SCLC measurements is found increase with film thickness, a value increases from 1 to 50 x 10-6 cm2 V-1 s-1 in the thickness range from 15 to 180 nm. Crosslinking was found to reduce the carrier mobility in TFB thin films. The Tg deviations are also discussed using the classic layered models in the literature. Our results provide a precise guide for the fabrication and design of high performance optoelectronic devices.

  10. Characterization and dynamic charge dependent modeling of conducting polymer trilayer bending

    Science.gov (United States)

    Farajollahi, Meisam; Sassani, Farrokh; Naserifar, Naser; Fannir, Adelyne; Plesse, Cédric; Nguyen, Giao T. M.; Vidal, Frédéric; Madden, John D. W.

    2016-11-01

    Trilayer bending actuators are charge driven devices that have the ability to function in air and provide large mechanical amplification. The electronic and mechanical properties of these actuators are known to be functions of their charge state making prediction of their responses more difficult when they operate over their full range of deformation. In this work, a combination of state space representation and a two-dimensional RC transmission line model are used to implement a nonlinear time variant model for conducting polymer-based trilayer actuators. Electrical conductivity and Young’s modulus of electromechanically active PEDOT conducting polymer containing films as a function of applied voltage were measured and incorporated into the model. A 16% drop in Young’s modulus and 24 times increase in conductivity are observed by oxidizing the PEDOT. A closed form formulation for radius of curvature of trilayer actuators considering asymmetric and location dependent Young’s modulus and conductivity in the conducting polymer layers is derived and implemented in the model. The nonlinear model shows the capability to predict the radius of curvature as a function of time and position with reasonable consistency (within 4%). The formulation is useful for general trilayer configurations to calculate the radius of curvature as a function of time. The proposed electrochemical modeling approach may also be useful for modeling energy storage devices.

  11. Generalized spherically symmetric gravitational model: Hamiltonian dynamics in extended phase space and BRST charge

    CERN Document Server

    Shestakova, T P

    2013-01-01

    We construct Hamiltonian dynamics of the generalized spherically symmetric gravitational model in extended phase space. We start from the Faddeev - Popov effective action with gauge-fixing and ghost terms, making use of gauge conditions in differential form. It enables us to introduce missing velocities into the Lagrangian and then construct a Hamiltonian function according a usual rule which is applied for systems without constraints. The main feature of Hamiltonian dynamics in extended phase space is that it can be proved to be completely equivalent to Lagrangian dynamics derived from the effective action. The sets of Lagrangian and Hamiltonian equations are not gauge invariant in general. We demonstrate that solutions to the obtained equations include those of the gauge invariant Einstein equations, and also discuss a possible role of gauge-noninvariant terms. Then, we find a BRST invariant form of the effective action by adding terms not affecting Lagrangian equations. After all, we construct the BRST cha...

  12. Beam manipulation techniques, nonlinear beam dynamics, and space charge effect in high energy high power accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S. Y.

    2014-04-07

    We had carried out a design of an ultimate storage ring with beam emittance less than 10 picometer for the feasibility of coherent light source at X-ray wavelength. The accelerator has an inherent small dynamic aperture. We study method to improve the dynamic aperture and collective instability for an ultimate storage ring. Beam measurement and accelerator modeling are an integral part of accelerator physics. We develop the independent component analysis (ICA) and the orbit response matrix method for improving accelerator reliability and performance. In collaboration with scientists in National Laboratories, we also carry out experimental and theoretical studies on beam dynamics. Our proposed research topics are relevant to nuclear and particle physics using high brightness particle and photon beams.

  13. Baryon axial charges and momentum fractions with N{sub f}=2+1 dynamical fermions

    Energy Technology Data Exchange (ETDEWEB)

    Goeckeler, M.; Haegler, P. [Regensburg Univ. (Germany). Inst. fuer Theoretische Physik; Horsley, R. [Edinburgh Univ. (GB). School of Physics and Astronomy] (and others)

    2011-02-15

    We report on recent results of the QCDSF/UKQCD Collaboration on investigations of baryon structure using configurations generated with N{sub f}=2+1 dynamical flavours of O(a) improved Wilson fermions. With the strange quark mass as an additional dynamical degree of freedom in our simulations we avoid the need for a partially quenched approximation when investigating the properties of particles containing a strange quark, e.g. the hyperons. In particular, we focus on the nucleon and hyperon axial coupling constants and quark momentum fractions. (orig.)

  14. Relativistic point dynamics general equations, constant proper masses, interactions between electric charges, variable proper masses, collisions

    CERN Document Server

    Arzeliès, Henri

    1972-01-01

    Relativistic Point Dynamics focuses on the principles of relativistic dynamics. The book first discusses fundamental equations. The impulse postulate and its consequences and the kinetic energy theorem are then explained. The text also touches on the transformation of main quantities and relativistic decomposition of force, and then discusses fields of force derivable from scalar potentials; fields of force derivable from a scalar potential and a vector potential; and equations of motion. Other concerns include equations for fields; transfer of the equations obtained by variational methods int

  15. The interplay between neutral exciton and charge transfer states in single-strand polyadenine: a quantum dynamical investigation.

    Science.gov (United States)

    Santoro, Fabrizio; Improta, Roberto; Avila, Francisco; Segado, Mireia; Lami, Alessandro

    2013-08-01

    We investigate the quantum dynamics of the internal conversion of excitons into charge transfer (CT) states in single-strand oligomers of adenine (An) of different length (n up to 10 units) excited by a short-time laser pulse. Calculations are based on a model vibronic Hamiltonian whose parameters are fitted to accurate time-dependent density functional theory (TD-DFT) calculations, which was shown to reproduce the experimental absorption spectrum with the increase of n. As a first step, we analyze the impact of the vibrational motion on the population transfer in the dimer, highlighting that it causes loss of coherence and slows down the dynamics. For longer oligomers we resort to a simplified approach considering only electronic states and solving the equation of motion for the density matrix driven by inter-state couplings. In this way we are able also to include phenomenologically dephasing terms that mainly simulate intra-molecular effects, and lifetimes of local excitations mimicking monomer-like decay processes. Relaxation effects, whose role is to drive the system towards the thermal equilibrium allowing population exchange among states, are deliberately not considered here, since the focus is on very short-time dynamics. We consider both the cases of an instantaneous and of a finite-time (full width at half maximum 50 fs) laser pulse. According to our calculations, the photoexcited oligomers exhibit a complex dynamics and CT population rises on a 20-30 fs timescale and it persists even on the picosecond timescale. CT population increases with the length of the oligomer and it is only weakly dependent on the relative stability of CT and exciton states (within a range of 1500 cm(-1)). The chain length already modifies the photoexcited dynamics for A2 and A4 systems, but this effect saturates for small n so that the A10 oligomer is also representative of longer chains.

  16. Applications of Parallel Computational Methods to Charged-Particle Beam Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Kabel, A.; Cai, Y.; /SLAC; Dohlus, M.; /DESY; Sen, T.; /Fermilab; Uplenchwar, R.; /SLAC /DESY

    2007-10-16

    The availability of parallel computation hardware and the advent of standardized programming interfaces has made a new class of beam dynamics problems accessible to numerical simulations. We describe recent progress in code development for simulations of coherent synchrotron radiation and the weak-strong and strong-strong beam-beam interaction. Parallelization schemes will be discussed, and typical results will be presented.

  17. Alkali-helium snowball complexes formed on helium nanodroplets.

    Science.gov (United States)

    Müller, S; Mudrich, M; Stienkemeier, F

    2009-07-28

    We systematically investigate the formation and stability of snowballs formed by femtosecond photoionization of small alkali clusters bound to helium nanodroplets. For all studied alkali species Ak = (Na,K,Rb,Cs) we observe the formation of snowballs Ak(+)He(N) when multiply doping the droplets. Fragmentation of clusters Ak(N) upon ionization appears to enhance snowball formation. In the case of Na and Cs we also detect snowballs Ak(2) (+)He(N) formed around Ak dimer ions. While the snowball progression for Na and K is limited to less than 11 helium atoms, the heavier atoms Rb and Cs feature wide distributions at least up to Ak(+)He(41). Characteristic steps in the mass spectra of Cs-doped helium droplets are found at positions consistent with predictions on the closure of the first shell of helium atoms around the Ak(+) ion based on variational Monte Carlo simulations.

  18. Electronic properties of physisorbed helium

    Energy Technology Data Exchange (ETDEWEB)

    Kossler, Sarah

    2011-09-22

    This thesis deals with electronic excitations of helium physisorbed on metal substrates. It is studied to what extent the electronic properties change compared to the gas phase due to the increased helium density and the proximity of the metal. Furthermore, the influence of different substrate materials is investigated systematically. To this end, up to two helium layers were adsorbed onto Ru (001), Pt (111), Cu (111), and Ag (111) surfaces in a custom-made cryostat. These samples were studied spectroscopically using synchrotron radiation and a time-of-flight detector. The experimental results were then analyzed in comparison with extensive theoretical model calculations.

  19. Transferring superfluid helium in space

    Science.gov (United States)

    Kittel, Peter

    1986-01-01

    A simple thermodynamic model of a transfer system for resupplying liquid helium in space is presented, with application to NASA projects including the Space Infrared Telescope Facility, the Large Deployable Reflector, and the Hubble Space Telescope. The relations between different thermodynamic regimes that can be expected in the transfer line are used to study the relative efficiencies of various possible transfer techniques. Low heat leak into the transfer line, particularly at point sources such as the coupling, is necesssary for efficient transfer of liquid helium, and proper selection of supply tank temperature is important during helium resupply.

  20. Trapping fermionic and bosonic helium atoms

    NARCIS (Netherlands)

    Stas, R.J.W.

    2005-01-01

    This thesis presents experimental and theoretical work performed at the Laser Centre of the Vrije Universiteit in Amsterdam to study laser-cooled metastable triplet helium atoms. Samples containing about 3x10^8 helium atoms-either fermionic helium-3 atoms, bosonic helium-4 atoms or mixtures thereof