Thin TaC layer produced by ion mixing

DEFF Research Database (Denmark)

Barna, Árpád; Kotis, László; Pécz, Béla

2012-01-01

in strongly asymmetric ion mixing; the carbon was readily transported to the Ta layer, while the reverse process was much weaker. Because of the asymmetrical transport the C/TaC interface remained sharp independently from the applied fluence. The carbon transported to the Ta layer formed Ta......Ion-beam mixing in C/Ta layered systems was investigated. C 8nm/Ta 12nm and C 20nm/Ta 19nm/C 20nm layer systems were irradiated by Ga+ ions of energy in the range of 2–30keV. In case of the 8nm and 20nm thick C cover layers applying 5–8keV and 20–30keV Ga+ ion energy, respectively resulted...

Temperature dependence and the moving species during ion mixing

International Nuclear Information System (INIS)

Xia, W.; Fernandes, M.; Hewett, C.A.; Lau, S.S.; Poker, D.B.; Biersack, J.P.

1988-01-01

In this paper, the authors review the experimental observations of the temperature dependence and the moving species in ion mixing, emphasizing the metal-semiconductor systems. Ion mixing is the combined effect of two components. One component is temperature independent and is primarily due to events in the prompt regime, the other component is temperature dependent and has the characteristics of the associated thermal reactions. The moving species during ion mixing are influenced by collisional effects, either due to secondary recoils, or due to local hot spots, or both. The secondary recoil concept is consistent with experimental observations that the motion of the lighter element in a bilayer sample is enhanced. There is ample evidence that while the a thermal regime is caused by particle-solid interactions, thermodynamical forces are important in deciding the magnitude of mixing. In the thermally activated regime, the ion induced reaction product should be influenced by the heats of formation of various compounds. We also indicate areas where satisfactory explanations are not available at present

Ion mixing and numerical simulation of different ions produced in the ECR ion source

International Nuclear Information System (INIS)

Shirkov, G.D.

1996-01-01

This paper is to continue theoretical investigations and numerical simulations in the physics of ECR ion sources within the CERN program on heavy ion acceleration. The gas (ion) mixing effect in ECR sources is considered here. It is shown that the addition of light ions to the ECR plasma has three different mechanisms to improve highly charged ion production: the increase of confinement time and charge state of highly ions as the result of ion cooling; the concentration of highly charged ions in the central region of the source with high energy and density of electrons; the increase of electron production rate and density of plasma. The numerical simulations of lead ion production in the mixture with different light ions and different heavy and intermediate ions in the mixture with oxygen, are carried out to predict the principal ECR source possibilities for LHC applications. 18 refs., 23 refs

Linear dose dependence of ion beam mixing of metals on Si

International Nuclear Information System (INIS)

Poker, D.B.; Appleton, B.R.

1985-01-01

These experiments were conducted to determine the dose dependences of ion beam mixing of various metal-silicon couples. V/Si and Cr/Si were included because these couples were previously suspected of exhibiting a linear dose dependence. Pd/Si was chosen because it had been reported as exhibiting only the square root dependence. Samples were cut from wafers of (100) n-type Si. The samples were cleaned in organic solvents, etched in hydrofluoric acid, and rinsed with methanol before mounting in an oil-free vacuum system for thin-film deposition. Films of Au, V, Cr, or Pd were evaporated onto the Si samples with a nominal deposition rate of 10 A/s. The thicknesses were large compared with those usually used to measure ion beam mixing and were used to ensure that conditions of unlimited supply were met. Samples were mixed with Si ions ranging in energy from 300 to 375 keV, chosen to produce ion ranges that significantly exceeded the metal film depth. Si was used as the mixing ion to prevent impurity doping of the Si substrate and to exclude a background signal from the Rutherford backscattering (RBS) spectra. Samples were mixed at room temperature, with the exception of the Au/Si samples, which were mixed at liquid nitrogen temperature. The samples were alternately mixed and analyzed in situ without exposure to atmosphere between mixing doses. The compositional distributions after mixing were measured using RBS of 2.5-MeV 4 He atoms

Ion-beam mixing in silicon and germanium at low temperatures

International Nuclear Information System (INIS)

Clark, G.J.; Marwick, A.D.; Poker, D.B.

1982-01-01

Ion-beam mixing of thin marker layers in amorphous silicon and germanium was studied using irradiations with Xe ions at temperatures of 34k and 77k. The marker species, ion energies and doses were: in silicon, markers of Ge and Pt irradiated with 200-keV Xe up to 2.7x10 16 ions cm -2 ; and in germanium, markers of Al and Si bombarded with 295-keV Xe up to 1.63x10 16 ions cm -2 . In silicon, Pt markers were found to broaden at about the same rate at 34k and 77k; and the rate of broadening was similar to that found by other workers when expressed as an efficiency of mixing, i.e., when dependence on ion dose and deposited energy was factored out. However, a Ge marker irradiated at 34k did not broaden from its original thickness. In germanium, markers of both Al and Si were mixed by irradiation at 34k, but at 77k only the Al marker broadened; the Si marker did not. The broadening of the markers is ascribed to ballistic mixing, while the cases where no broadening occurred are explicable if diffusion by a defect mechanism transported displaced marker atoms back to traps near their original sites

Revealing the Solvation Structure and Dynamics of Carbonate Electrolytes in Lithium-Ion Batteries by Two-Dimensional Infrared Spectrum Modeling.

Science.gov (United States)

Liang, Chungwen; Kwak, Kyungwon; Cho, Minhaeng

2017-12-07

Carbonate electrolytes in lithium-ion batteries play a crucial role in conducting lithium ions between two electrodes. Mixed solvent electrolytes consisting of linear and cyclic carbonates are commonly used in commercial lithium-ion batteries. To understand how the linear and cyclic carbonates introduce different solvation structures and dynamics, we performed molecular dynamics simulations of two representative electrolyte systems containing either linear or cyclic carbonate solvents. We then modeled their two-dimensional infrared (2DIR) spectra of the carbonyl stretching mode of these carbonate molecules. We found that the chemical exchange process involving formation and dissociation of lithium-ion/carbonate complexes is responsible for the growth of 2DIR cross peaks with increasing waiting time. In addition, we also found that cyclic carbonates introduce faster dynamics of dissociation and formation of lithium-ion/carbonate complexes than linear carbonates. These findings provide new insights into understanding the lithium-ion mobility and its interplay with solvation structure and ultrafast dynamics in carbonate electrolytes used in lithium-ion batteries.

Ion-beam mixing and tribology of Fe/B multilayers

International Nuclear Information System (INIS)

Hu, R.; Rehn, L.E.; Baldo, P.M.; Fenske, G.R.

1990-01-01

This paper reports the interdiffusion of Fe and B trilayer specimens during 1-MeV Kr + bombardment studied using Rutherford backscattering and electron microscopy. The square of the interdiffusion distance during mixing at 300 degrees C was found to depend linearly on the irradiation dose. Arrhenius behavior with an apparent activation enthalpy of 0.7 eV was observed for the mixing between 200 and 500 degrees C. Electron microscopy of ion-beam mixed multilayer specimens revealed that two crystalline compounds, Fe 2 B and Fe 3 B, formed during bombardment at 450 degrees C, while two different amorphous Fe/B phases formed at 300 degrees C. Substantially improved adhesion and reduced friction were observed for Fe/B multilayers ion-beam mixed onto M50 steel substrates at 450 degrees C

Multiple Quantum Coherences (MQ) NMR and Entanglement Dynamics in the Mixed-Three-Spin XXX Heisenberg Model with Single-Ion Anisotropy

Science.gov (United States)

Hamid, Arian Zad

2016-12-01

We analytically investigate Multiple Quantum (MQ) NMR dynamics in a mixed-three-spin (1/2,1,1/2) system with XXX Heisenberg model at the front of an external homogeneous magnetic field B. A single-ion anisotropy property ζ is considered for the spin-1. The intensities dependence of MQ NMR coherences on their orders (zeroth and second orders) for two pairs of spins (1,1/2) and (1/2,1/2) of the favorite tripartite system are obtained. It is also investigated dynamics of the pairwise quantum entanglement for the bipartite (sub)systems (1,1/2) and (1/2,1/2) permanently coupled by, respectively, coupling constants J}1 and J}2, by means of concurrence and fidelity. Then, some straightforward comparisons are done between these quantities and the intensities of MQ NMR coherences and ultimately some interesting results are reported. We also show that the time evolution of MQ coherences based on the reduced density matrix of the pair spins (1,1/2) is closely connected with the dynamics of the pairwise entanglement. Finally, we prove that one can introduce MQ coherence of the zeroth order corresponds to the pair spins (1,1/2) as an entanglement witness at some special time intervals.

Mixing of phosphorus and antimony ions in silicon by recoil implantation

International Nuclear Information System (INIS)

Kwok, H.L.; Lam, Y.W.; Wong, S.P.; Poon, M.C.

1986-01-01

The effects of mixing phosphorus and antimony ions in silicon by recoil implantation were examined. The electrical properties after ion mixing were investigated, and the results were compared with those obtained using other techniques. Different degrees of activation were also studied, by investigating the annealing behaviour. (U.K.)

Effect of carbon on ion beam mixing of Fe-Ti bilayers

Energy Technology Data Exchange (ETDEWEB)

Hirvonen, J.P.; Nastasi, M.; Lappalainen, R.; Sickafus, K. (Los Alamos National Lab., NM (USA); Helsinki Univ. (Finland). Dept. of Physics; Los Alamos National Lab., NM (USA))

1989-01-01

The influence of implanted carbon on ion beam mixing of a Fe-Ti system was investigated. Carbon was introduced into bilayer samples by implanting {sup 13}C isotopes. The implantation energies were selected to set the mean range of carbon ions in either the iron or titanium layer. The effect of implanted carbon on 400 keV Ar ion mixing in the temperature range from 0 to 300{degree}C was studied using Rutherford backscattering spectroscopy at the energy of 5 MeV. Changes in carbon concentration profiles were probed utilizing the resonance of the nuclear reaction {sup 13}C(p,{gamma}){sup 14}N at the proton energy of 1.748 MeV. The measurements revealed that mixing was not affected by carbon implanted into the titanium layer. However, carbon in the iron layer remarkably retarded mixing at all temperatures investigated. Significant changes in carbon depth distributions were observed only when the sample with implanted carbon in the iron layer was mixed at 300{degree}C. These results are explained in terms of the enhanced mobility of carbon in an evaporated iron film which allows segregation to the interface. At low temperatures, however, vacancy-carbon interaction in iron may have a contribution to the retarded ion beam mixing. 19 refs., 3 figs.

Film sputtering with ion mixing in a pulse explosion-emission ion diode

International Nuclear Information System (INIS)

Korenev, S.A.; Balalykin, N.I.; Sikolenko, V.V.; Orelovich, O.L.; Shirokov, D.M.

1995-01-01

A possibility is confirmed of obtaining mixed composition films from mutually nonsoluble metals in conditions when a film is irradiated with an ion beam in the process of deposition and afterwards with an electron beam. In the experiments was used an explosion-emission ion diode. The experiments showed a possibility of obtaining a new structural material-aluminium with titanium film. 12 refs.; 7 figs.; 1 tab

Initial stages of the ion beam mixing process

International Nuclear Information System (INIS)

Traverse, A.; Le Boite, M.G.; Nevot, L.; Pardo, B.; Corno, J.

1987-01-01

The grazing x-ray reflectometry technique, performed on irradiated periodic multilayers, was used to study the early stages of the ion beam mixing process. We present our first results, obtained on NiAu samples irradiated with He ions. The experimental fluence dependence of the effective diffusion coefficient is in good agreement with a calculation based on a purely ballistic process

Effect of the gas mixing technique on the production efficiency of ion beams extracted from an electron cyclotron resonance ion source

International Nuclear Information System (INIS)

Tarvainen, O.; Suominen, P.; Koivisto, H.

2004-01-01

In this work the effect of gas mixing on the production efficiency of ion beams extracted from an ECR ion source has been studied with the JYFL 6.4 GHz electron cyclotron resonance ion source (ECRIS). It was found that the gas mixing affects strongly the confinement of ions in the plasma of the ECRIS. The information obtained can be used to minimize the consumption of expensive materials or isotopes and to reduce contamination of the plasma chamber. It was observed that the carbon contamination, which is built up when the MIVOC method is used could be decreased with the aid of the gas mixing technique. The best mixing gas for this purpose was found to be oxygen

Systematic study of the ion beam mixing of oxide markers into alumina

International Nuclear Information System (INIS)

Cooper, E.A.; Kung, H.; Nastasi, M.

1995-01-01

The study of ion beam mixing of layered compositions is important in two regards: first, there is the potential of alloying the layers into a new functionally different composition and, secondly, from a fundamental aspect, it is important be able to anticipate the potential damage due to degradation of the layer structure that could be caused in these materials due to a radiation environment. The authors have completed a systematic study of ion beam mixing of thin marker layers into amorphous alumina. The degree of mixing was found to be controlled by thermodynamic factors, the nature of the marker (oxidation state), and matrix crystallinity. Ballistic mixing was observed for all markers, but the mixing of some oxide markers exhibits a thermally activated regime at higher temperatures. The experiments were conducted from a low temperature of -170 C to a maximum temperature of 75O C. 210 keV Ar was used to ion beam mix the marker layer at the various temperatures. The marker spreading was analyzed using RBS. The mixing of one marker (Fe 2 O 3 ) into crystalline alumina (sapphire) was compared to that of the amorphous alumina. It was found that the marker mixed asymmetrically into the two matrix materials, with a higher degree of mixing into the amorphous matrix. TEM cross-section results verify that there is a preference for the marker to mix into the amorphous alumina layer preferentially to the crystalline layer. The interest in ion beam mixing of marker layers in ceramic systems is motivated by the fact that layered oxides are technologically important materials for fusion reactor applications

Heavy ion source support gas mixing experiments

International Nuclear Information System (INIS)

Hudson, E.D.; Mallory, M.L.

1977-01-01

Experiments on mixing an easily ionized support gas with the primary ion source gas have produced large beam enhancements for high charge state light ions (masses less than or equal to 20). In the Oak Ridge Isochronous Cyclotron (ORIC), the beam increase has been a factor of 5 or greater, depending on ion species and charge state. Approximately 0.1 cc/min of the easily ionized support gas (argon, krypton, or xenon) is supplied to the ion source through a separate gas line and the primary gas flow is reduced by approximately 30 percent. The proposed mechanism for increased intensity is as follows: The heavier support gas ionizes readily to a higher charge state, providing increased cathode heating. The increased heating permits a reduction in primary gas flow (lower pressure) and the subsequent beam increase

Ion-beam mixing of ceramic alloys: preparation and mechanical properties

International Nuclear Information System (INIS)

Lewis, M.B.; McHargue, C.J.

1981-01-01

Techniques used to produce unique states of pure metals mixed into ceramic materials are presented. The samples were prepared by irradiating a 1-MeV Fe + beam on Al 2 O 3 crystal surfaces over which a thin chromium or zirconium film had been evaporated. The limitations of using noble gas ion beams are noted. Micro Knoop hardness tests performed near the surfaces of the samples indicated a significant increase in the hardness of most samples prepared by ion beam mixing

Phase-mixing of Langmuir oscillations in cold electron-positron-ion plasmas

Energy Technology Data Exchange (ETDEWEB)

Maity, Chandan [Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700 064 (India)

2014-07-15

Space-time evolution of Langmuir oscillations in a cold homogeneous electron-positron-ion plasma has been analyzed by employing a straightforward perturbation expansion method, showing phase-mixing and, thus, wave-breaking of excited oscillations at arbitrary amplitudes. Within an assumption of infinitely massive ions, an approximate phase-mixing time is found to scale as ω{sub pe}t{sub mix}∼[(6/δ{sup 2})((2−α){sup 5/2}/(1−α))]{sup 1/3}, where “δ” and “α” (= n{sub 0i}/n{sub 0e}) are the amplitude of perturbation and the ratio of equilibrium ion density to equilibrium electron density, respectively, and ω{sub pe}∼√(4πn{sub 0e}e{sup 2}/m) is the electron plasma frequency. The results presented on phase-mixing of Langmuir modes in multispecies plasmas are expected to be relevant to laboratory and astrophysical environments.

Ion Dynamics in a Mixed-Cation Alkoxy-Ammonium Ionic Liquid Electrolyte for Sodium Device Applications.

Science.gov (United States)

Pope, Cameron R; Kar, Mega; MacFarlane, Douglas R; Armand, Michel; Forsyth, Maria; O'Dell, Luke A

2016-10-18

The ion dynamics in a novel sodium-containing room-temperature ionic liquid (IL) consisting of an ether-functionalised quaternary ammonium cation and bis(trifluoromethylsulfonyl)amide [NTf 2 ] anion with various concentrations of Na[NTf 2 ] have been characterised using differential scanning calorimetry, impedance spectroscopy, diffusometry and NMR relaxation measurements. The IL studied has been specifically designed to dissolve a relatively large concentration of Na[NTf 2 ] salt (over 2 mol kg -1 ) as this has been shown to improve ion transport and conductivity. Consistent with other studies, the measured ionic conductivity and diffusion coefficients show that the overall ionic mobility decreases with decreasing temperature and increasing salt content. NMR relaxation measurements provide evidence for correlated dynamics between the ether-functionalised ammonium and Na cations, possibly with the latter species acting as cross-links between multiple ammonium cations. Finally, preliminary cyclic voltammetry experiments show that this IL can undergo stable electrochemical cycling and could therefore be potentially useful as an electrolyte in a Na-based device. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Prospects of ion implantation and ion beam mixing for corrosion protection

International Nuclear Information System (INIS)

Wolf, G.K.; Munn, P.; Ensinger, W.

1985-01-01

Ion implantation is very useful new low temperature treatment for improving the mechanical surface properties of materials without any dimensional changes. In addition also the corrosion properties of metals can be modified considerably by this technique. The long term corrosion behaviour of implanted metals, however, has been studied only for a very limited number of cases. In this contribution a survey of attempts to do this will be presented. As examples of promising systems for corrosion protection by ion beams iron, steel and titanium were examined with and without pretreatment by ion implantation and ion beam mixing. The corrosion rates of the systems have been obtained by neutron activation analysis and by electrochemical methods. Experimental results are presented on: Palladium implanted in titanium - crevice corrosion in salt solution; Palladium implanted in and deposited on titanium -corrosion in sulfuric acid; Platinum implanted in stainless steel -corrosion in sulfuric acid. (author)

Numerical simulations of gas mixing effect in electron cyclotron resonance ion sources

Directory of Open Access Journals (Sweden)

V. Mironov

2017-01-01

Full Text Available The particle-in-cell Monte Carlo collisions code nam-ecris is used to simulate the electron cyclotron resonance ion source (ECRIS plasma sustained in a mixture of Kr with O_{2}, N_{2}, Ar, Ne, and He. The model assumes that ions are electrostatically confined in the ECR zone by a dip in the plasma potential. A gain in the extracted krypton ion currents is seen for the highest charge states; the gain is maximized when oxygen is used as a mixing gas. The special feature of oxygen is that most of the singly charged oxygen ions are produced after the dissociative ionization of oxygen molecules with a large kinetic energy release of around 5 eV per ion. The increased loss rate of energetic lowly charged ions of the mixing element requires a building up of the retarding potential barrier close to the ECR surface to equilibrate electron and ion losses out of the plasma. In the mixed plasmas, the barrier value is large (∼1  V compared to pure Kr plasma (∼0.01  V, with longer confinement times of krypton ions and with much higher ion temperatures. The temperature of the krypton ions is increased because of extra heating by the energetic oxygen ions and a longer time of ion confinement. In calculations, a drop of the highly charged ion currents of lighter elements is observed when adding small fluxes of krypton into the source. This drop is caused by the accumulation of the krypton ions inside plasma, which decreases the electron and ion confinement times.

Xenon-ion-induced and thermal mixing of Co/Si bilayers and their interplay

Science.gov (United States)

Novaković, M.; Zhang, K.; Popović, M.; Bibić, N.; Hofsäss, H.; Lieb, K. P.

2011-05-01

Studies on ion-irradiated transition-metal/silicon bilayers demonstrate that interface mixing and silicide phase formation depend sensitively on the ion and film parameters, including the structure of the metal/Si interface. Thin Co layers e-gun evaporated to a thickness of 50 nm on Si(1 0 0) wafers were bombarded at room temperature with 400-keV Xe + ions at fluences of up to 3 × 10 16 cm -2. We used either crystalline or pre-amorphized Si wafers the latter ones prepared by 1.0-keV Ar-ion implantation. The as-deposited or Xe-ion-irradiated samples were then isochronally annealed at temperatures up to 700 °C. Changes of the bilayer structures induced by ion irradiation and/or annealing were investigated with RBS, XRD and HRTEM. The mixing rate for the Co/c-Si couples, Δ σ2/ Φ = 3.0(4) nm 4, is higher than the value expected for ballistic mixing and about half the value typical for spike mixing. Mixing of pre-amorphized Si is much weaker relative to crystalline Si wafers, contrary to previous results obtained for Fe/Si bilayers. Annealing of irradiated samples produces very similar interdiffusion and phase formation patterns above 400 °C as in the non-irradiated Co/Si bilayers: the phase evolution follows the sequence Co 2Si → CoSi → CoSi 2.

Xenon-ion-induced and thermal mixing of Co/Si bilayers and their interplay

International Nuclear Information System (INIS)

Novakovic, M.; Zhang, K.; Popovic, M.; Bibic, N.; Hofsaess, H.; Lieb, K.P.

2011-01-01

Studies on ion-irradiated transition-metal/silicon bilayers demonstrate that interface mixing and silicide phase formation depend sensitively on the ion and film parameters, including the structure of the metal/Si interface. Thin Co layers e-gun evaporated to a thickness of 50 nm on Si(1 0 0) wafers were bombarded at room temperature with 400-keV Xe + ions at fluences of up to 3 x 10 16 cm -2 . We used either crystalline or pre-amorphized Si wafers the latter ones prepared by 1.0-keV Ar-ion implantation. The as-deposited or Xe-ion-irradiated samples were then isochronally annealed at temperatures up to 700 o C. Changes of the bilayer structures induced by ion irradiation and/or annealing were investigated with RBS, XRD and HRTEM. The mixing rate for the Co/c-Si couples, Δσ 2 /Φ = 3.0(4) nm 4 , is higher than the value expected for ballistic mixing and about half the value typical for spike mixing. Mixing of pre-amorphized Si is much weaker relative to crystalline Si wafers, contrary to previous results obtained for Fe/Si bilayers. Annealing of irradiated samples produces very similar interdiffusion and phase formation patterns above 400 o C as in the non-irradiated Co/Si bilayers: the phase evolution follows the sequence Co 2 Si → CoSi → CoSi 2 .

Ion-beam mixing and thermal annealing of Al--Nb and Al--Ta thin films

International Nuclear Information System (INIS)

Rai, A.K.; Bhattacharya, R.S.; Mendiratta, M.G.; Subramanian, P.R.; Dimiduk, D.M.

1988-01-01

Ion-beam mixing and thermal annealing of thin, alternating layers of Al and Nb, as well as Al and Ta, were investigated by selected area diffraction and Rutherford backscattering. The individual layer thicknesses were adjusted to obtain the overall compositions as Al 3 Nb and Al 3 Ta. The films were ion mixed with 1 MeV Au + ions at a dose of 1 x 10 16 ions cm/sup -2/ . Uniform mixing and amorphization were achieved for both Al--Nb and Al--Ta systems. Equilibrium crystalline Al 3 Nb and Al 3 Ta phases were formed after annealing of ion mixed amorphous films at 400 0 C for 6 h. Unmixed films, however, remained unreacted at 400 0 C for 1 h. Partial reaction was observed in the unmixed film of Al--Nb at 400 0 C for 6 h. After annealing at 500 0 C for 1 h, a complete reaction and formation of Al 3 Nb and Al 3 Ta phases in the respective films were observed. The influence of thermodynamics on the phase formation by ion mixing and thermal annealing is discussed

Nitridation of vanadium by ion beam irradiation

International Nuclear Information System (INIS)

Kiuchi, Masato; Chayahara, Akiyoshi; Kinomura, Atsushi; Ensinger, Wolfgang

1994-01-01

The nitridation of vanadium by ion beam irradiation is studied by the ion implantation method and the dynamic mixing method. The nitrogen ion implantation was carried out into deposited V(110) films. Using both methods, three phases are formed, i.e. α-V, β-V 2 N, and δ-VN. Which phases are formed is related to the implantation dose or the arrival ratio. The orientation of the VN films produced by the dynamic ion beam mixing method is (100) and that of the VN films produced by the ion implantation method is (111). The nitridation of vanadium is also discussed in comparison with that of titanium and chromium. ((orig.))

The development of pulsed ion sources with explosive ions emission for deposition of films and coatings with ion and electron mixing

International Nuclear Information System (INIS)

Korenev, S.

1998-01-01

The development of pulsed ion sources with explosive ion emission for deposition of films and coatings with ion and electron mixing is considered in the report. The deposition of films and coatings with high hardness and high resistance on the basis using this source on the working voltage 50--100 kV is presented. The deposition of TiB(2), W and other films is discussed and comparison with other results. The experimental results of pulsed electron/ion mixing are considered. The main characteristics of these films and coating are considered. The cluster mechanism of deposition of films and coatings are discussed. The main question of structure of these films on the basis of surface cluster fractal structure is suggested and discussed. The study of structure of these films showed the new kind of structure of these films and coatings

Comparison between thermal annealing and ion mixing of alloyed Ni-W films on Si. I

International Nuclear Information System (INIS)

Pai, C.S.; Lau, S.S.; Poker, D.B.; Hung, L.S.

1985-01-01

The reactions between Ni-W alloys and Si substrates induced by thermal annealing and ion mixing were investigated and compared. Samples were prepared by sputtering of Ni-W alloys, both Ni-rich and W-rich, onto the Si substrates, and followed by either furnace annealing (200--900 0 C) or ion mixing (2 x 10 15 -- 4 x 10 16 86 Kr + ions/cm 2 ). The reactions were analyzed by Rutherford backscattering and x-ray diffraction (Read camera). In general, thermal annealing and ion mixing lead to similar reactions. Phase separation between Ni and W with Ni silicides formed next to the Si substrate and W silicide formed on the surface was observed for both Ni-rich and W-rich samples under thermal annealing. Phase separation was also observed for Ni-rich samples under ion mixing; however, a Ni-W-Si ternary compound was possibly formed for ion-mixed W-rich samples. These reactions were rationalized in terms of the mobilities of various atoms and the energetics of the systems

Xenon-ion-induced and thermal mixing of Co/Si bilayers and their interplay

Energy Technology Data Exchange (ETDEWEB)

Novakovic, M. [VINCA Institute of Nuclear Sciences, 11001 Belgrade (Serbia); II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Zhang, K. [II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Popovic, M.; Bibic, N. [VINCA Institute of Nuclear Sciences, 11001 Belgrade (Serbia); II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Hofsaess, H. [II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Lieb, K.P., E-mail: plieb@gwdg.d [II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany)

2011-05-01

Studies on ion-irradiated transition-metal/silicon bilayers demonstrate that interface mixing and silicide phase formation depend sensitively on the ion and film parameters, including the structure of the metal/Si interface. Thin Co layers e-gun evaporated to a thickness of 50 nm on Si(1 0 0) wafers were bombarded at room temperature with 400-keV Xe{sup +} ions at fluences of up to 3 x 10{sup 16} cm{sup -2}. We used either crystalline or pre-amorphized Si wafers the latter ones prepared by 1.0-keV Ar-ion implantation. The as-deposited or Xe-ion-irradiated samples were then isochronally annealed at temperatures up to 700 {sup o}C. Changes of the bilayer structures induced by ion irradiation and/or annealing were investigated with RBS, XRD and HRTEM. The mixing rate for the Co/c-Si couples, {Delta}{sigma}{sup 2}/{Phi} = 3.0(4) nm{sup 4}, is higher than the value expected for ballistic mixing and about half the value typical for spike mixing. Mixing of pre-amorphized Si is much weaker relative to crystalline Si wafers, contrary to previous results obtained for Fe/Si bilayers. Annealing of irradiated samples produces very similar interdiffusion and phase formation patterns above 400 {sup o}C as in the non-irradiated Co/Si bilayers: the phase evolution follows the sequence Co{sub 2}Si {yields} CoSi {yields} CoSi{sub 2}.

ρ - ω Mixing Effects in Relativistic Heavy-Ion Collisions

International Nuclear Information System (INIS)

Broniowski, W.; Florkowski, W.

1999-01-01

Full text: We have shown that even moderate excess of neutrons over protons in nuclear matter, such as in 208 Pb, can lead to large ρ - ω mixing at densities of the order of twice the nuclear saturation density and higher. The typical mixing angle is of the order of 10 o . The mixing may result in noticeable shifts of the positions and widths of resonances. We also analyze temperature effects and find that temperatures up to 50 MeV have practically no effect on the mixing. The results have relevance for the explanation of dilepton production in relativistic heavy-ion collisions. (author)

Correlated nuclear and electronic dynamics in photoionized systems studied by quantum and mixed quantum-classical approaches

International Nuclear Information System (INIS)

Li, Zheng

2014-09-01

The advent of free electron lasers and high harmonic sources enables the investigation of electronic and nuclear dynamics of molecules and solids with atomic spatial resolution and femtosecond/attosecond time resolution, using bright and ultrashort laser pulses of frequency from terahertz to hard x-ray range. With the help of ultrashort laser pulses, the nuclear and electronic dynamics can be initiated, monitored and actively controlled at the typical time scale in the femtosecond to attosecond realm. Meanwhile, theoretical tools are required to describe the underlying mechanism. This doctoral thesis focuses on the development of theoretical tools based on full quantum mechanical multiconfiguration time-dependent Hartree (MCTDH) and mixed quantum classical approaches, which can be applied to describe the dynamical behavior of gas phase molecules and strongly correlated solids in the presence of ultrashort laser pulses. In the first part of this thesis, the focus is on the motion of electron holes in gas phase molecular ions created by extreme ultraviolet (XUV) photoionization and watched by spectroscopic approaches. The XUV photons create electron-hole in the valence orbitals of molecules by photoionization, the electron hole, as a positively charged quasi-particle, can then interact with the nuclei and the rest of electrons, leading to coupled non-Born-Oppenheimer dynamics. I present our study on electron-hole relaxation dynamics in valence ionized molecular ions of moderate size, using quantum wave packet and mixed quantum-classical approaches, using photoionized [H + (H 2 O) n ] + molecular ion as example. We have shown that the coupled motion of the electron-hole and the nuclei can be mapped out with femtosecond resolution by core-level x-ray transient absorption spectroscopy. Furthermore, in specific cases, the XUV photon can create a coherent electron hole, that can maintain its coherence to time scales of ∝ 1 picosecond. Employing XUV pump - IR probe

Characterization of ion-beam mixed multilayers via grazing x-ray reflectometry

International Nuclear Information System (INIS)

Le Boite, M.G.; Traverse, A.; Nevot, L.; Pardo, B.; Corno, J.

1988-01-01

The grazing x-ray reflectrometry technique was used as a way to study modifications in metallic multilayers induced by ion-beam irradiation. Due to the high sensitivity of the technique, short-range atomic displacements of an atom A in a layer B can be detected so that the first stages of ion-beam mixing can be investigated. The rate of mixing is measured and the compound A/sub 1-//sub x/B/sub x/ formed at the layers' interfaces is characterized

Ion Dynamics at Shocks: Ion Reflection and Beam Formation at Quasi-perpendicular Shocks

International Nuclear Information System (INIS)

Kucharek, Harald; Moebius, Eberhard

2005-01-01

The physics of collisionless shocks is controlled by the ion dynamics. The generation of gyrating ions by reflection as well as the formation of field-aligned ion beams are essential parts of this dynamic. On the one hand reflection is most likely the first interaction of ions with the shock before they undergo the downstream thermalization process. On the other hand field-aligned ion beams, predominately found at the quasi-perpendicular bow shock, propagate into the distant foreshock region and may create wave activity. We revisit ion reflection, the source and basic production mechanism of field-aligned ion beams, by using multi-spacecraft measurements and contrast these observations with existing theories. Finally, we propose an alternative production mechanism

Phase transformations in nickel-aluminum alloys during ion beam mixing

International Nuclear Information System (INIS)

Eridon, J.; Rehn, L.; Was, G.

1986-01-01

The effect of ion beam mixing of nickel-aluminum alloys with 500 keV krypton ions has been investigated over a range of temperature, composition, ion dose, and post-irradiation thermal treatments. Samples were formed by alternate evaporation of layers of aluminum and nickel. A portion of these samples was subsequently annealed to form intermetallic compounds. Irradiations were performed at both room temperature and 80 0 K using the 2MV ion accelerator at Argonne National Laboratory. Phase transformations were observed during both in situ irradiations in the High Voltage Electron Microscope (HVEM) at Argonne, and also in subsequent analysis of an array of irradiated samples. Electron diffraction indicates the presence of metastable crystalline structures not present in the conventional nickel-aluminum phase diagram. Transformations occur at doses as low as 5 x 10 14 cm -2 and continue to develop as the irradiation progresses up to 2 x 10 16 cm -2 . Layer mixing is followed through Rutherford Backscattering analysis. Samples are also checked with x-rays and Electron Energy Loss Spectroscopy (EELS). A thermodynamic argument is presented to explain the phase transformations in terms of movements on a free energy diagram. This analysis explains the interesting paradox concerning the radiation hardness of the NiAl phase and the amorphous structure of mixed Ni-50% Al layers

TRANSP modeling of minority ion sawtooth mixing in ICRF + NBI heated discharges in TFTR

International Nuclear Information System (INIS)

Goldfinger, R.C.; Batchelor, D.B.; Murakami, M.; Phillips, C.K.; Budny, R.; Hammett, G.W.; McCune, D.M.; Wilson, J.R.; Zarnstorff, M.C.

1995-01-01

Time independent code analysis indicates that the sawtooth relaxation phenomenon affects RF power deposition profiles through the mixing of fast ions. Predicted central electron heating rates are substantially above experimental values unless sawtooth relaxation is included. The PPPL time dependent transport analysis code, TRANSP, currently has a model to redistribute thermal electron and ion species, energy densities, plasma current density, and fast ions from neutral beam injection at each sawtooth event using the Kadomtsev (3) prescription. Results are presented here in which the set of models is extended to include sawtooth mixing effects on the hot ion population generated from ICRF heating. The ICRF generated hot ion distribution function, line-integral(ν parallel , ν perpendicular ), which is strongly peaked at the center before each sawtooth, is replaced throughout the sawtooth mixing volume by its volume averaged value at each sawtooth. The modified line-integral(ν parallel ,ν perpendicular ) is then used to recalculate the collisional transfer of power from the minority species to the background species. Results demonstrate that neglect of sawtooth mixing of ICRF-induced fast ions leads to prediction of faster central electron reheat rates than are measured experimentally

Fullerene-rare gas mixed plasmas in an electron cyclotron resonance ion source

Energy Technology Data Exchange (ETDEWEB)

Asaji, T., E-mail: asaji@oshima-k.ac.jp; Ohba, T. [Oshima National College of Maritime Technology, 1091-1 Komatsu, Suo-oshima, Oshima, Yamaguchi 742-2193 (Japan); Uchida, T.; Yoshida, Y. [Bio-Nano Electronics Research Centre, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan); Minezaki, H.; Ishihara, S. [Graduate School of Engineering, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan); Racz, R.; Biri, S. [Institute of Nuclear Research (ATOMKI), H-4026 Debrecen, Bem Tér 18/c (Hungary); Muramatsu, M.; Kitagawa, A. [National Institute of Radiological Sciences (NIRS), 4-9-1 Anagawa, Inage-ku, Chiba 263-8555 (Japan); Kato, Y. [Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan)

2014-02-15

A synthesis technology of endohedral fullerenes such as Fe@C{sub 60} has developed with an electron cyclotron resonance (ECR) ion source. The production of N@C{sub 60} was reported. However, the yield was quite low, since most fullerene molecules were broken in the ECR plasma. We have adopted gas-mixing techniques in order to cool the plasma and then reduce fullerene dissociation. Mass spectra of ion beams extracted from fullerene-He, Ar or Xe mixed plasmas were observed with a Faraday cup. From the results, the He gas mixing technique is effective against fullerene destruction.

Mixed oxygen ion/electron-conducting ceramics for oxygen separation

Energy Technology Data Exchange (ETDEWEB)

Stevenson, J.W.; Armstrong, T.R.; Armstrong, B.L. [Pacific Northwest National Lab., Richland, WA (United States)

1996-08-01

Mixed oxygen ion and electron-conducting ceramics are unique materials that can passively separate high purity oxygen from air. Oxygen ions move through a fully dense ceramic in response to an oxygen concentration gradient, charge-compensated by an electron flux in the opposite direction. Compositions in the system La{sub 1{minus}x}M{sub x}Co{sub 1{minus}y{minus}z}Fe{sub y}N{sub z}O{sub 3{minus}{delta}}, perovskites where M=Sr, Ca, and Ba, and N=Mn, Ni, Cu, Ti, and Al, have been prepared and their electrical, oxygen permeation, oxygen vacancy equilibria, and catalytic properties evaluated. Tubular forms, disks, and asymmetric membrane structures, a thin dense layer on a porous support of the same composition, have been fabricated for testing purposes. In an oxygen partial gradient, the passive oxygen flux through fully dense structures was highly dependent on composition. An increase in oxygen permeation with increased temperature is attributed to both enhanced oxygen vacancy mobility and higher vacancy populations. Highly acceptor-doped compositions resulted in oxygen ion mobilities more than an order of magnitude higher than yttria-stabilized zirconia. The mixed conducting ceramics have been utilized in a membrane reactor configuration to upgrade methane to ethane and ethylene. Conditions were established to balance selectivity and throughput in a catalytic membrane reactor constructed from mixed conducting ceramics.

Basic aspects of ion beam mixing

International Nuclear Information System (INIS)

Averback, R.S.

1985-07-01

Irradiation of solids with energetic particles results in the reorganization of constituent target atoms, i.e., ion beam mixing (IM). At low temperatures, IM is characterized by prompt (10 -10 s) diffusion processes which are localized in the vicinity of the displacement cascade. Mixing at low temperatures can cause the system to depart far from the equilibrium state. At elevated temperatures, the diffusion of radiation-induced defects extends the mixing to longer times and greater distances. These delayed IM processes tend to return the system toward equilibrium. Recent experimental progress has led to a qualitative understanding of the fundamental aspects of IM in both temperature regimes. This has been achieved through systematic measurements of the influences of temperature, dose, dose-rate, cascade energy density, and chemical interactions on IM. The results of these experiments will be reviewed and compared to IM models based on collisional, thermal spike, and radiation-enhanced diffusion processes. The relation of IM to other fundamental radiation damage effects will also be discussed. 75 refs., 8 figs., 2 tabs

Structure and dynamics of aqueous solution of uranyl ions

International Nuclear Information System (INIS)

Chopra, Manish; Choudhury, Niharendu

2014-01-01

The present work describes a molecular dynamics simulation study of structure and dynamics of aqueous solution of uranyl ions in water. Structural properties of the system in terms of radial distribution functions and dynamical characteristics as obtained through velocity autocorrelation function and mean square displacements have been analyzed. The results for radial distribution functions show the oxygen of water to form the first solvation shell at 2.4 Å around the uranium atom, whereas the hydrogen atoms of water are distributed around the uranium atom with the major peak at around 3.0 Å. Analyses of transport behaviors of ions and water through MSD indicates that the diffusion of the uranyl ion is much less as compared to that of the water molecules. It is also observed that the dynamical behavior of water molecules gets modified due to the presence of uranyl ion. The effect of increase in concentration of uranyl ions on the structure and dynamics of water molecules is also studied

Dynamic electrochemical measurement of chloride ions

NARCIS (Netherlands)

Abbas, Yawar; de Graaf, Derk B.; Olthuis, Wouter; van den Berg, Albert

2016-01-01

This protocol describes the dynamic measurement of chloride ions using the transition time of a silver silver chloride (Ag/AgCl) electrode. Silver silver chloride electrode is used extensively for potentiometric measurement of chloride ions concentration in electrolyte. In this measurement,

Ion-beam mixed ultra-thin cobalt suicide (CoSi2) films by cobalt sputtering and rapid thermal annealing

Science.gov (United States)

Kal, S.; Kasko, I.; Ryssel, H.

1995-10-01

The influence of ion-beam mixing on ultra-thin cobalt silicide (CoSi2) formation was investigated by characterizing the ion-beam mixed and unmixed CoSi2 films. A Ge+ ion-implantation through the Co film prior to silicidation causes an interface mixing of the cobalt film with the silicon substrate and results in improved silicide-to-silicon interface roughness. Rapid thermal annealing was used to form Ge+ ion mixed and unmixed thin CoSi2 layer from 10 nm sputter deposited Co film. The silicide films were characterized by secondary neutral mass spectroscopy, x-ray diffraction, tunneling electron microscopy (TEM), Rutherford backscattering, and sheet resistance measurements. The experi-mental results indicate that the final rapid thermal annealing temperature should not exceed 800°C for thin (micrographs of the ion-beam mixed and unmixed CoSi2 films reveals that Ge+ ion mixing (45 keV, 1 × 1015 cm-2) produces homogeneous silicide with smooth silicide-to-silicon interface.

Quench dynamics of two coupled zig-zag ion chains

Energy Technology Data Exchange (ETDEWEB)

Klumpp, Andrea, E-mail: andrea.klumpp@physnet.uni-hamburg.de [Zentrum für Optische Quantentechnologien, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); Liebchen, Benno [SUPA, School of Physics and Astronomy, University of Edinburgh, Edinburgh EH9 3FD (United Kingdom); Schmelcher, Peter [Zentrum für Optische Quantentechnologien, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); The Hamburg Centre for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg (Germany)

2016-08-06

We explore the non-equilibrium dynamics of two coupled zig-zag chains of trapped ions in a double well potential. Following a quench of the potential barrier between both wells, the induced coupling between both chains due to the long-range interaction of the ions leads to the complete loss of order in the radial direction. The resulting dynamics is however not exclusively irregular but leads to phases of motion during which various ordered structures appear with ions arranged in arcs, lines and crosses. We quantify the emerging order by introducing a suitable measure and complement our analysis of the ion dynamics using a normal mode analysis showing a decisive population transfer between only a few distinguished modes. - Highlights: • Novel dynamical phenomenology of two coupled zig-zag ion chains following a trap quench is explored. • Transient ordered ion configurations are unraveled in non-equilibrium dynamics dominated by irregular behavior. • A measure for the diagnosis of this transient order is introduced and applied. • Energy transfer between a few eigen modes is identified as the key mechanism for the occurrence of the ordered configurations.

Comparison between thermal annealing and ion mixing of multilayered Ni-W films on Si. II

International Nuclear Information System (INIS)

Pai, C.S.; Lau, S.S.; Poker, D.B.; Hung, L.S.

1985-01-01

The reactions between bilayered Ni/W films and Si substrates induced by thermal annealing and ion mixing were investigated and compared. Samples were prepared by electron-beam sequential deposition of Ni and W onto the Si substrates and following by either furnace annealing (approx. 200--900 0 C) or ion mixing (approx. 2 x 10 15 -- 4 x 10 16 86 Kr + ions/cm 2 ). The reactions were analyzed by Rutherford backscattering and x-ray diffraction (Read camera). Thermal annealing of both W/Ni/Si and Ni/W/Si samples led to the formation of Ni silicide next to the Si substrate and W silicide on the sample surface (layer reversal between Ni and W in the Ni/W/Si case). Ion mixing of W/Ni/Si samples led to the formation of Ni silicide with a thin layer of Ni-W-Si mixture located at the sample surface. For Ni/W/Si samples a ternary amorphous mixture of Ni-W-Si was obtained with ion mixing. These reactions were rationalized in terms of the mobilities of various atoms and the intermixings between layers

Mixing of the Glauber dynamics for the ferromagnetic Potts model

OpenAIRE

Bordewich, Magnus; Greenhill, Catherine; Patel, Viresh

2013-01-01

We present several results on the mixing time of the Glauber dynamics for sampling from the Gibbs distribution in the ferromagnetic Potts model. At a fixed temperature and interaction strength, we study the interplay between the maximum degree ($\\Delta$) of the underlying graph and the number of colours or spins ($q$) in determining whether the dynamics mixes rapidly or not. We find a lower bound $L$ on the number of colours such that Glauber dynamics is rapidly mixing if at least $L$ colours...

Ion beam mixing of marker layers in Al and Si

International Nuclear Information System (INIS)

Mantl, S.; Rehn, L.E.; Averback, R.S.; Thompson, L.J. Jr.

1984-07-01

Ion beam mixing experiments on thin Pt, Au, and Ni markers in Al and Si have performed at 17, 85, and 300 K. After irradiation with 300-keV Ar ions the broadening and relative shifts of the markers have been determined by RBS measurements. The marker broadenings are more pronounced in Si than in Al; in both matrices the broadenings decrease in the following order: Au, Pt, and Ni. No dependence of mixing on irradiation temperature was observed between 17 and 300 K. The shifts of the heavy Au and Pt markers relative to the Ni markers are approximately equal to the experimental accuracy. However, a shift of the Ni marker toward the surface relative to the heavier Au and Pt markers was consistently observed. 13 references, 2 figures

Constructing quantum dynamics from mixed quantum-classical descriptions

International Nuclear Information System (INIS)

Barsegov, V.; Rossky, P.J.

2004-01-01

The influence of quantum bath effects on the dynamics of a quantum two-level system linearly coupled to a harmonic bath is studied when the coupling is both diagonal and off-diagonal. It is shown that the pure dephasing kernel and the non-adiabatic quantum transition rate between Born-Oppenheimer states of the subsystem can be decomposed into a contribution from thermally excited bath modes plus a zero point energy contribution. This quantum rate can be modewise factorized exactly into a product of a mixed quantum subsystem-classical bath transition rate and a quantum correction factor. This factor determines dynamics of quantum bath correlations. Quantum bath corrections to both the transition rate and the pure dephasing kernel are shown to be readily evaluated via a mixed quantum-classical simulation. Hence, quantum dynamics can be recovered from a mixed quantum-classical counterpart by incorporating the missing quantum bath corrections. Within a mixed quantum-classical framework, a simple approach for evaluating quantum bath corrections in calculation of the non-adiabatic transition rate is presented

Mixed bilayer containing dipalmitoylphosphatidylcholine and dipalmitoylphosphatidylserine: lipid complexation, ion binding, and electrostatics.

Science.gov (United States)

Pandit, Sagar A; Bostick, David; Berkowitz, Max L

2003-11-01

Two mixed bilayers containing dipalmitoylphosphatidylcholine and dipalmitoylphosphatidylserine at a ratio of 5:1 are simulated in NaCl electrolyte solutions of different concentration using the molecular dynamics technique. Direct NH.O and CH.O hydrogen bonding between lipids was observed to serve as the basis of interlipid complexation. It is deduced from our results and previous studies that dipalmitoylphosphatidylcholine alone is less likely to form interlipid complexes than in the presence of bound ions or other bilayer "impurities" such as dipalmitoylphosphatidylserine. The binding of counterions is observed and quantitated. Based upon the calculated ion binding constants, the Gouy-Chapman surface potential (theta) is calculated. In addition we calculated the electrostatic potential profile (Phi) by twice integrating the system charge distribution. A large discrepancy between and the value of Phi at the membrane surface is observed. However, at "larger" distance from the bilayer surface, a qualitative similarity in the z-profiles of Phi and psi(GC) is seen. The discrepancy between the two potential profiles near the bilayer surface is attributed to the discrete and nonbulk-like nature of water in the interfacial region and to the complex geometry of this region.

Molecular ions, Rydberg spectroscopy and dynamics

International Nuclear Information System (INIS)

Jungen, Ch.

2015-01-01

Ion spectroscopy, Rydberg spectroscopy and molecular dynamics are closely related subjects. Multichannel quantum defect theory is a theoretical approach which draws on this close relationship and thereby becomes a powerful tool for the study of systems consisting of a positively charged molecular ion core interacting with an electron which may be loosely bound or freely scattering

Molecular ions, Rydberg spectroscopy and dynamics

Energy Technology Data Exchange (ETDEWEB)

Jungen, Ch. [Laboratoire Aimé Cotton, Université de Paris-Sud, 91405 Orsay (France)

2015-01-22

Ion spectroscopy, Rydberg spectroscopy and molecular dynamics are closely related subjects. Multichannel quantum defect theory is a theoretical approach which draws on this close relationship and thereby becomes a powerful tool for the study of systems consisting of a positively charged molecular ion core interacting with an electron which may be loosely bound or freely scattering.

From Brownian Dynamics to Markov Chain: An Ion Channel Example

KAUST Repository

Chen, Wan

2014-02-27

A discrete rate theory for multi-ion channels is presented, in which the continuous dynamics of ion diffusion is reduced to transitions between Markovian discrete states. In an open channel, the ion permeation process involves three types of events: an ion entering the channel, an ion escaping from the channel, or an ion hopping between different energy minima in the channel. The continuous dynamics leads to a hierarchy of Fokker-Planck equations, indexed by channel occupancy. From these the mean escape times and splitting probabilities (denoting from which side an ion has escaped) can be calculated. By equating these with the corresponding expressions from the Markov model, one can determine the Markovian transition rates. The theory is illustrated with a two-ion one-well channel. The stationary probability of states is compared with that from both Brownian dynamics simulation and the hierarchical Fokker-Planck equations. The conductivity of the channel is also studied, and the optimal geometry maximizing ion flux is computed. © 2014 Society for Industrial and Applied Mathematics.

Ion-ion dynamic structure factor, acoustic modes, and equation of state of two-temperature warm dense aluminum

Science.gov (United States)

Harbour, L.; Förster, G. D.; Dharma-wardana, M. W. C.; Lewis, Laurent J.

2018-04-01

The ion-ion dynamical structure factor and the equation of state of warm dense aluminum in a two-temperature quasiequilibrium state, with the electron temperature higher than the ion temperature, are investigated using molecular-dynamics simulations based on ion-ion pair potentials constructed from a neutral pseudoatom model. Such pair potentials based on density functional theory are parameter-free and depend directly on the electron temperature and indirectly on the ion temperature, enabling efficient computation of two-temperature properties. Comparison with ab initio simulations and with other average-atom calculations for equilibrium aluminum shows good agreement, justifying a study of quasiequilibrium situations. Analyzing the van Hove function, we find that ion-ion correlations vanish in a time significantly smaller than the electron-ion relaxation time so that dynamical properties have a physical meaning for the quasiequilibrium state. A significant increase in the speed of sound is predicted from the modification of the dispersion relation of the ion acoustic mode as the electron temperature is increased. The two-temperature equation of state including the free energy, internal energy, and pressure is also presented.

Dynamical limitations to heavy ion fusion

International Nuclear Information System (INIS)

Back, B.B.

1983-01-01

Dynamical limitations to heavy ion fusion reaction are considered. The experimental signatures and the importance of a quasi-fission process are examined. The anaular distributions of fission fragments for the 32 S+ 208 Pb and 16 O+ 238 U systems are presented. It is shown that the observations of quasi-fission for even rather ''light'' heavy ions poeess severe limitations on the fusion process. This result may consequently be responsible for the lack of success of the search for super heavy elements in heavy ion fusion reactions

A system dynamics model to determine products mix

Directory of Open Access Journals (Sweden)

Mahtab Hajghasem

2014-02-01

Full Text Available This paper presents an implementation of system dynamics model to determine appropriate product mix by considering various factors such as labor, materials, overhead, etc. for an Iranian producer of cosmetic and sanitary products. The proposed model of this paper considers three hypotheses including the relationship between product mix and profitability, optimum production capacity and having minimum amount of storage to take advantage of low cost production. The implementation of system dynamics on VENSIM software package has confirmed all three hypotheses of the survey and suggested that in order to reach better mix product, it is necessary to reach optimum production planning, take advantage of all available production capacities and use inventory management techniques.

First steps of ion beam mixing: study by X-ray reflectometry and neutron diffraction

International Nuclear Information System (INIS)

Le Boite, M.G.

1987-12-01

There are several processes involved in ion beam mixing: ballistic processes, chemical driving forces and radiation enhanced diffusion. Experiments usually performed on bilayers irradiated with heavy elements and characterized by Rutherford backscattering (R.B.S.), have shown that the measured mixing rate is always higher than the calculated one, taking into account ballistic effects only. Besides classical R.B.S. experiments on NiAu and NiPt bilayers irradiated with Xe, we have used another technique of characterization: X-ray reflectometry and neutron diffraction, performed on multilayers irradiated with He. The systems are NiAu, NiPt, NiPd and NiAg, which behave similarly from the ballistic point of view, but have very different heats of mixing. In these experiments, the range of deposited energy density is very low, in contrast to heavy ions irradiation: this has allowed us to reach very low diffusion coefficient, never observed before. The dependence of the diffusion coefficient on the heat of mixing is in agreement with the one theoretically calculated. For the NiAg system, which has a positive heat of mixing, the measured diffusion coefficient is smaller than the ballistic one: a decrease of the ballistic mixing rate is seen for the first time. In this work, we have shown the interest of the reflectometry techniques (X-ray and neutrons); we have used a simple model to analyze the ion beam mixing, when elementary processes are involved

Modification of the surfaces of stainless steel during titanium nitride deposition by a dynamic mixing method

Science.gov (United States)

Yokota, Katsuhiro; Tamura, Susumu; Nakamura, Kazuhiro; Horiguchi, Motohiro; Nakaiwa, Hiroki; Sugimoto, Takashi; Akamatsu, Katsuya; Nakao, Kazuyoshi

2000-05-01

Surfaces of stainless steel SUS304 were coated with titanium nitride (TiN) at temperatures ranging from 400°C to 770°C using a dynamic mixing technique. The N+ ions were accelerated at energies of 0.5-2.0 keV, and were implanted into the stainless steel. The composition of the prepared TiN films was measured using Rutherford backscattering spectrometry with He ions at an energy of 2.0 MeV. Intermediate layers containing compounds such as FesNq, Cr2N, and CrFe were formed between the TiN films and substrates at substrate temperatures higher than 700°C. The thickness of the TiN films decreased significantly when the intermediate layers were formed.

Mass Transport Properties of LiD-U Mixtures from Orbital FreeMolecular Dynamics Simulations and a Pressure-Matching Mixing Rule

International Nuclear Information System (INIS)

Burakovsky, Leonid; Kress, Joel D.; Collins, Lee A.

2012-01-01

Mass transport properties for LiD-U mixtures were calculated using a pressure matching mixture rule for the mixing of LiD and of U properties simulated with Orbital Free Molecular Dynamics (OFMD). The mixing rule was checked against benchmark OFMD simulations for the fully interacting three-component (Li, D, U) system. To obtain transport coefficients for LiD-U mixtures of different (LiD) x U (1-x) compositions as functions of temperature and mixture density is a tedious task. Quantum molecular dynamics (MD) simulations can be employed, as in the case LiD or U. However, due to the presence of the heavy constituent U, such simulations proceed so slowly that only a limited number of numerical data points in the (x, ρ, T) phase space can be obtained. To finesse this difficulty, transport coefficients for a mixture can be obtained using a pressure-matching mixing rule discussed. For both LiD and U, the corresponding transport coefficients were obtained earlier from quantum molecular dynamics simulations. In these simulations, the quantum behavior of the electrons was represented using an orbital free (OF) version of density functional theory, and ions were advanced in time using classical molecular dynamics. The total pressure of the system, P = nk B T/V + P e , is the sum of the ideal gas pressure of the ions plus the electron pressure. The mass self-diffusion coefficient for species α, D α , the mutual diffusion coefficient for species α and β, Dαβ, and the shear viscosity, η, are computed from the appropriate autocorrelation function. The details of similar QMD calculations on LiH are described in Ref. [1] for 0.5 eV < T < 3 eV, and in Ref. [2] for 2 eV < T < 6 eV.

Ejection of solvated ions from electrosprayed methanol/water nanodroplets studied by molecular dynamics simulations.

Science.gov (United States)

Ahadi, Elias; Konermann, Lars

2011-06-22

The ejection of solvated small ions from nanometer-sized droplets plays a central role during electrospray ionization (ESI). Molecular dynamics (MD) simulations can provide insights into the nanodroplet behavior. Earlier MD studies have largely focused on aqueous systems, whereas most practical ESI applications involve the use of organic cosolvents. We conduct simulations on mixed water/methanol droplets that carry excess NH(4)(+) ions. Methanol is found to compromise the H-bonding network, resulting in greatly increased rates of ion ejection and solvent evaporation. Considerable differences in the water and methanol escape rates cause time-dependent changes in droplet composition. Segregation occurs at low methanol concentration, such that layered droplets with a methanol-enriched periphery are formed. This phenomenon will enhance the partitioning of analyte molecules, with possible implications for their ESI efficiencies. Solvated ions are ejected from the tip of surface protrusions. Solvent bridging prior to ion secession is more extensive for methanol/water droplets than for purely aqueous systems. The ejection of solvated NH(4)(+) is visualized as diffusion-mediated escape from a metastable basin. The process involves thermally activated crossing of a ~30 kJ mol(-1) free energy barrier, in close agreement with the predictions of the classical ion evaporation model.

A Quantum Non-Demolition Parity measurement in a mixed-species trapped-ion quantum processor

Science.gov (United States)

Marinelli, Matteo; Negnevitsky, Vlad; Lo, Hsiang-Yu; Flühmann, Christa; Mehta, Karan; Home, Jonathan

2017-04-01

Quantum non-demolition measurements of multi-qubit systems are an important tool in quantum information processing, in particular for syndrome extraction in quantum error correction. We have recently demonstrated a protocol for quantum non-demolition measurement of the parity of two beryllium ions by detection of a co-trapped calcium ion. The measurement requires a sequence of quantum gates between the three ions, using mixed-species gates between beryllium hyperfine qubits and a calcium optical qubit. Our work takes place in a multi-zone segmented trap setup in which we have demonstrated high fidelity control of both species and multi-well ion shuttling. The advantage of using two species of ion is that we can individually manipulate and read out the state of each ion species without disturbing the internal state of the other. The methods demonstrated here can be used for quantum error correcting codes as well as quantum metrology and are key ingredients for realizing a hybrid universal quantum computer based on trapped ions. Mixed-species control may also enable the investigation of new avenues in quantum simulation and quantum state control. left the group and working in a company now.

Ion-solid interactions for materials modification and processing

International Nuclear Information System (INIS)

Poker, D.B.; Ila, D.; Cheng, Y.T.; Harriott, L.R.; Sigmon, T.W.

1996-01-01

Topics ranged from the very fundamental ion-solid interactions to the highly device-oriented semiconductor applications. Highlights of the symposium featured in this volume include: nanocrystals in insulators, plasma immersion ion implantation. Focused ion beams, molecular dynamics simulations of ion-surface interactions, ion-beam mixing of insulators, GeV ion irradiation, electro-optical materials, polymers, tribological materials, and semiconductor processing. Separate abstracts were prepared for most papers in this volume

Microstructure and tribology of ion-mixed Fe/Ti/C multilayers on AISI 304 stainless steel

International Nuclear Information System (INIS)

Nastasi, M.; Hirvonen, J.P.; Zocco, T.G.; Jervis, T.R.

1991-01-01

A multilayered Fe/Ti/C structure consisting of eleven alternating sublayers, four Fe, four Ti and three C, was ion mixed on an AISI 304 stainless steel substrate with 400 keV Xe 2+ . Complete mixing was observed after an irradiation of 1x10 17 Xe/cm 2 at 550degC. Electron diffraction revealed the formation of the compounds TiC and Fe 3 C and a small amount of an amorphous phase. Some samples were given a second irradiation with 5x10 15 Xe/cm 2 at 0degC. The phases present following the second irradiation were TiC, α-Fe and an amorphous phase. Tribological and nanoindentation measurements revealed that both types of samples possessed similar hardness and friction properties. The ion mixed samples possessed an increased hardness and a decreased friction coefficient relative to untreated polished stainless-steel substrate. However, the wear life of the hot ion mixed sample was consistently longer than the wear life of the sample processed at both 550 and 0degC. These results are explained by differences in adhesive wear which result from differences in the chemical reactivity of the phases formed during ion beam processing. (orig.)

Ball lightning dynamics and stability at moderate ion densities

International Nuclear Information System (INIS)

Morrow, R

2017-01-01

A general mechanism is presented for the dynamics and structure of ball lightning and for the maintenance of the ball lightning structure for several seconds. Results are obtained using a spherical geometry for air at atmospheric pressure, by solving the continuity equations for electrons, positive ions and negative ions coupled with Poisson’s equation. A lightning strike can generate conditions in the lightning channel with a majority of positive nitrogen ions, and a minority of negative oxygen ions and electrons. The calculations are initiated with electrons included; however, at the moderate ion densities chosen the electrons are rapidly lost to form negative ions, and after 1 µ s their influence on the ion dynamics is negligible. Further development after 1 µ s is followed using a simpler set of equations involving only positive ions and negative ions, but including ion diffusion. The space-charge electric field generated by the majority positive ions drives them from the centre of the distribution and drives the minority negative ions and electrons towards the centre of the distribution. In the central region the positive and negative ion distributions eventually overlap exactly and their space-charge fields cancel resulting in zero electric field, and the plasma ball formed is quite stable for a number of seconds. The formation of such plasma balls is not critically dependent on the initial diameter of the ion distributions, or the initial density of minority negative ions. The ion densities decrease relatively slowly due to mutual neutralization of positive and negative ions. The radiation from this neutralization process involving positive nitrogen ions and negative oxygen ions is not sufficient to account for the reported luminosity of ball lightning and some other source of luminosity is shown to be required; the plasma ball model used could readily incorporate other ions in order to account for the luminosity and range of colours reported for ball

Nano-glass ceramic cathodes for Li+/Na+ mixed-ion batteries

DEFF Research Database (Denmark)

He, Wen; Zhang, Xudong; Jin, Chao

2017-01-01

reactions, and the influences of molar ratio of Fe/V on the structure and electrochemical properties of NGCs. This nanoscale design offers a new possibility improved the electrochemical performances of Li+/Na+ mixed-ion batteries (LNMIBs). The NGCs-3 electrode exhibits a higher discharge capacity (145 mAh g...

Dynamics and Thermochemistry of Oxygen Uptake by a Mixed Ce-Pr Oxide

Science.gov (United States)

Sinev, M. Yu.; Fattakhova, Z. T.; Bychkov, V. Yu.; Lomonosov, V. I.; Gordienko, Yu. A.

2018-03-01

The dynamics of oxygen uptake by mixed Ce0.55Pr0.45O2-x oxide is studied in a pulsed oxygen supply mode using in situ high-temperature heat flow differential scanning calorimetry. It is stated that the oxidation proceeds in two regimes: a fast one at the beginning of the oxidation process, and a slow one, which is controlled by the diffusion of oxygen through the bulk of the solid at the later stages of the process. Analysis of the shape of calorimetric profiles reveals some processes, accompanied by heat release, that occur in the sample in the absence of oxygen in the gas phase. These could be due to both the redistribution of consumed oxygen in the oxide lattice and the lattice relaxation associated with the transformation of phases with different arrangements of oxygen vacancies in them. The heat effect (which diminishes from 60 to 40 kJ/mol in the course of oxygen uptake) associated with the oxidation of the reduced form of mixed Ce-Pr oxide, corresponds to the oxidation of praseodymium ions from (3+) to (4+).

Equilibrium studies on mixed ligand complexes of some tripositive rare earth ions

International Nuclear Information System (INIS)

Vimal, Rashmi; Singh, Mamta; Ram Nayan

1996-01-01

Interaction of the rare earth ions, La 3+ , Ce 3+ , Pr 3+ , Nd 3+ , Sm 3+ and Eu 3+ with the pair of ligands 1-amino-2-naphthol-4-sulphonic acid (an, H 2 A) and o-aminophenol (ap, HB) have been studied in aqueous solution at 25 degC (μ=0.1 M KNO 3 /NaCl). Equilibrium constants of the reactions involving the formations of the mixed ligand species MAB, MA 2 B 2- , MB 2 A - (M = metal ion) and the binary complexes containing up to three ligand molecules have been evaluated from the pH-metric data, and coordinating behaviour of the ligands in the formation of the mixed ligand complexes has been discussed. (author). 10 refs., 1 tab., 1 fig

Individual chaos implies collective chaos for weakly mixing discrete dynamical systems

International Nuclear Information System (INIS)

Liao Gongfu; Ma Xianfeng; Wang Lidong

2007-01-01

Let X be a metric space (X,f) a discrete dynamical system, where f:X->X is a continuous function. Let f-bar denote the natural extension of f to the space of all non-empty compact subsets of X endowed with Hausdorff metric induced by d. In this paper we investigate some dynamical properties of f and f-bar . It is proved that f is weakly mixing (mixing) if and only if f-bar is weakly mixing (mixing, respectively). From this, we deduce that weak-mixing of f implies transitivity of f-bar , further, if f is mixing or weakly mixing, then chaoticity of f (individual chaos) implies chaoticity of f-bar (collective chaos) and if X is a closed interval then f-bar is chaotic (in the sense of Devaney) if and only if f is weakly mixing

Dynamical components in the heavy-ion optical

International Nuclear Information System (INIS)

Hussein, M.S.

1980-03-01

Dynamical components in the heavy-ion optical potential are calculated. Special emphasis is given to the dynamical components resulting from coupling to inelastic channels at sub-barrier energies. The component arising from both Coulomb and nuclear coupling is calculated to lowest order using the one-energy-shell approximation for the channel Green's function. A similar approximation is used to calculate the dynamical components arising from particle transfer coupling. (Author) [pt

Multicharged Ion-induced simple molecule fragmentation dynamics

International Nuclear Information System (INIS)

Tarisien, M.

2003-10-01

The aim of this work is to study the dynamics of swift multicharged ion-induced fragmentation of diatomic (CO) and triatomic (CO 2 ) molecules. Performed at the GANIL facility, this study used the Recoil Ion Momentum Spectroscopy technique (RIMS), which consists of a time-of-flight mass spectrometer, coupled with a multi-hit capability position sensitive detector (delay line anode). The high-resolution measurement of the kinetic energy distribution released (KER) during the CO fragmentation points out the limitation of the Coulomb Explosion Model, revealing, for example, the di-cation CO 2 + electronic state contribution in the case of C + /O + fragmentation pathway. Furthermore, the multi-ionization cross section dependence with the orientation of the internuclear axis of CO is compared with a geometrical model calculation. Finally, different behaviours are observed for the dissociation dynamics of a triatomic molecule (CO 2 ). While triple ionization leads mainly to a synchronous concerted fragmentation dynamics, a weak fraction of dissociating molecule follows a sequential dynamics involving CO 2 + metastable states. In the case of double ionization, (CO 2 ) 2+ di-cation dissociation dynamics is asynchronously concerted and has been interpreted using a simple model involving an asymmetrical vibration of the molecule. (author)

Hexagonal type Ising nanowire with mixed spins: Some dynamic behaviors

International Nuclear Information System (INIS)

Kantar, Ersin; Kocakaplan, Yusuf

2015-01-01

The dynamic behaviors of a mixed spin (1/2–1) hexagonal Ising nanowire (HIN) with core–shell structure in the presence of a time dependent magnetic field are investigated by using the effective-field theory with correlations based on the Glauber-type stochastic dynamics (DEFT). According to the values of interaction parameters, temperature dependence of the dynamic magnetizations, the hysteresis loop areas and the dynamic correlations are investigated to characterize the nature (first- or second-order) of the dynamic phase transitions (DPTs). Dynamic phase diagrams, including compensation points, are also obtained. Moreover, from the thermal variations of the dynamic total magnetization, the five compensation types can be found under certain conditions, namely the Q-, R-, S-, P-, and N-types. - Highlights: • Dynamic behaviors of mixed spin HIN system are obtained within the EFT. • The system exhibits i, p and nm fundamental phases. • The dynamic phase diagrams are presented in (h, T), (D, T), (Δ S , T) and (r, T) planes. • The dynamic phase diagrams exhibit the dynamic tricritical point (TCP). • Different dynamic compensation types are obtained

Asphalt mix characterization using dynamic modulus and APA testing.

Science.gov (United States)

2005-11-01

final report summarizes two research efforts related to asphalt mix characterization: dynamic modulus and Asphalt Pavement Analyzer testing. One phase of the research consisted of a laboratory-based evaluation of dynamic modulus of Oregon dense-grade...

A laboratory investigation of mixing dynamics between biofuels and surface waters

Science.gov (United States)

Wang, Xiaoxiang; Cotel, Aline

2017-11-01

Recently, production and usage of ethanol-blend fuels or biofuels have increased dramatically along with increasing risk of spilling into surface waters. Lack of understanding of the environmental impacts and absence of standard clean-up procedures make it crucial to study the mixing behavior between biofuels and water. Biofuels are represented by a solution of ethanol and glycol. A Plexiglas tank in conjunction with a wave generator is used to simulate the mixing of surface waters and biofuels under different natural conditions. In our previous experiments, two distinct mixing regimes were observed. One regime was driven by turbulence and the other by interfacial instabilities. However, under more realistic situations, without wind driven waves, only the first mixing regime was found. After one minute of rapid turbulent mixing, biofuels and water were fully mixed and no interface was formed. During the mixing process, chemical reactions happened simultaneously and influenced mixing dynamics. Current experiments are investigating the effect of waves on the mixing dynamics. Support from NSF CBET 1335878.

Ion beams application to modification of surface layer of solids with particular regard to IBAD method - ion beam assisted deposition realized in the INP; Zastosowanie wiazek jonowych do modyfikowania warstwy wierzchniej cial stalych, ze szczegolnym uwzglednieniem metody IBAD - Ion Beam Assisted Deposition, realizowanej w IFJ

Energy Technology Data Exchange (ETDEWEB)

Drwiega, M.; Lipinska, E.

1992-12-31

The different trends in ion engineering such as: dynamic ion mixing, ionized cluster beam deposition and ion beam assisted deposition are described. Some examples of properties of surface coatings are given and their applications are presented. The future of ion engineering is described. 48 refs, 12 figs, 4 tabs.

Ion dynamics in porous carbon electrodes in supercapacitors using in situ infrared spectroelectrochemistry.

Science.gov (United States)

Richey, Francis W; Dyatkin, Boris; Gogotsi, Yury; Elabd, Yossef A

2013-08-28

Electrochemical double layer capacitors (EDLCs), or supercapacitors, rely on electrosorption of ions by porous carbon electrodes and offer a higher power and a longer cyclic lifetime compared to batteries. Ionic liquid (IL) electrolytes can broaden the operating voltage window and increase the energy density of EDLCs. Herein, we present direct measurements of the ion dynamics of 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide in an operating EDLC with electrodes composed of porous nanosized carbide-derived carbons (CDCs) and nonporous onion-like carbons (OLCs) with the use of in situ infrared spectroelectrochemistry. For CDC electrodes, IL ions (both cations and anions) were directly observed entering and exiting CDC nanopores during charging and discharging of the EDLC. Conversely, for OLC electrodes, IL ions were observed in close proximity to the OLC surface without any change in the bulk electrolyte concentration during charging and discharging of the EDLC. This provides experimental evidence that charge is stored on the surface of OLCs in OLC EDLCs without long-range ion transport through the bulk electrode. In addition, for CDC EDLCs with mixed electrolytes of IL and propylene carbonate (PC), the IL ions were observed entering and exiting CDC nanopores, while PC entrance into the nanopores was IL concentration dependent. This work provides direct experimental confirmation of EDLC charging mechanisms that previously were restricted to computational simulations and theories. The experimental measurements presented here also provide deep insights into the molecular level transport of IL ions in EDLC electrodes that will impact the design of the electrode materials' structure for electrical energy storage.

Dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons

Science.gov (United States)

Saha, Asit; Pal, Nikhil; Chatterjee, Prasanta

2014-10-01

The dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons has been investigated in the framework of perturbed and non-perturbed Kadomtsev-Petviashili (KP) equations. Applying the reductive perturbation technique, we have derived the KP equation in electron-positron-ion magnetoplasma with kappa distributed electrons and positrons. Bifurcations of ion acoustic traveling waves of the KP equation are presented. Using the bifurcation theory of planar dynamical systems, the existence of the solitary wave solutions and the periodic traveling wave solutions has been established. Two exact solutions of these waves have been derived depending on the system parameters. Then, using the Hirota's direct method, we have obtained two-soliton and three-soliton solutions of the KP equation. The effect of the spectral index κ on propagations of the two-soliton and the three-soliton has been shown. Considering an external periodic perturbation, we have presented the quasi periodic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas.

Dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons

Energy Technology Data Exchange (ETDEWEB)

Saha, Asit, E-mail: asit-saha123@rediffmail.com, E-mail: prasantachatterjee1@rediffmail.com [Department of Mathematics, Sikkim Manipal Institute of Technology, Majitar, Rangpo, East-Sikkim 737136 (India); Department of Mathematics, Siksha Bhavana, Visva Bharati University, Santiniketan-731235 (India); Pal, Nikhil; Chatterjee, Prasanta, E-mail: asit-saha123@rediffmail.com, E-mail: prasantachatterjee1@rediffmail.com [Department of Mathematics, Siksha Bhavana, Visva Bharati University, Santiniketan-731235 (India)

2014-10-15

The dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons has been investigated in the framework of perturbed and non-perturbed Kadomtsev-Petviashili (KP) equations. Applying the reductive perturbation technique, we have derived the KP equation in electron-positron-ion magnetoplasma with kappa distributed electrons and positrons. Bifurcations of ion acoustic traveling waves of the KP equation are presented. Using the bifurcation theory of planar dynamical systems, the existence of the solitary wave solutions and the periodic traveling wave solutions has been established. Two exact solutions of these waves have been derived depending on the system parameters. Then, using the Hirota's direct method, we have obtained two-soliton and three-soliton solutions of the KP equation. The effect of the spectral index κ on propagations of the two-soliton and the three-soliton has been shown. Considering an external periodic perturbation, we have presented the quasi periodic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas.

Beam dynamics in heavy ion induction LINACS

International Nuclear Information System (INIS)

Smith, L.

1981-10-01

Interest in the use of an induction linac to accelerate heavy ions for the purpose of providing the energy required to initiate an inertially confined fusion reaction has stimulated a theoretical effort to investigate various beam dynamical effects associated with high intensity heavy ion beams. This paper presents a summary of the work that has been done so far; transverse, longitudinal and coupled longitudinal transverse effects are discussed

Reconstructing the competitive dynamics of mixed-oak neighborhoods

Science.gov (United States)

Eric K. Zenner; Daniel J. Heggenstaller; Patrick H. Brose; JeriLynn E. Peck; Kim C. Steiner

2012-01-01

The disparity between the potential for latent oak dominance within a stand and their region-wide decline in importance value raises questions about the competitiveness of oaks in early stand dynamics. We reconstructed tree height growth dynamics in mixed-species neighborhoods to determine if currently dominant oaks were ever shorter than their competitors and at what...

The dynamics of electron and ion holes in a collisionless plasma

Directory of Open Access Journals (Sweden)

B. Eliasson

2005-01-01

Full Text Available We present a review of recent analytical and numerical studies of the dynamics of electron and ion holes in a collisionless plasma. The new results are based on the class of analytic solutions which were found by Schamel more than three decades ago, and which here work as initial conditions to numerical simulations of the dynamics of ion and electron holes and their interaction with radiation and the background plasma. Our analytic and numerical studies reveal that ion holes in an electron-ion plasma can trap Langmuir waves, due the local electron density depletion associated with the negative ion hole potential. Since the scale-length of the ion holes are on a relatively small Debye scale, the trapped Langmuir waves are Landau damped. We also find that colliding ion holes accelerate electron streams by the negative ion hole potentials, and that these streams of electrons excite Langmuir waves due to a streaming instability. In our Vlasov simulation of two colliding ion holes, the holes survive the collision and after the collision, the electron distribution becomes flat-topped between the two ion holes due to the ion hole potentials which work as potential barriers for low-energy electrons. Our study of the dynamics between electron holes and the ion background reveals that standing electron holes can be accelerated by the self-created ion cavity owing to the positive electron hole potential. Vlasov simulations show that electron holes are repelled by ion density minima and attracted by ion density maxima. We also present an extension of Schamel's theory to relativistically hot plasmas, where the relativistic mass increase of the accelerated electrons have a dramatic effect on the electron hole, with an increase in the electron hole potential and in the width of the electron hole. A study of the interaction between electromagnetic waves with relativistic electron holes shows that electromagnetic waves can be both linearly and nonlinearly

Aqueous vanadium ion dynamics relevant to bioinorganic chemistry: A review.

Science.gov (United States)

Kustin, Kenneth

2015-06-01

Aqueous solutions of the four highest vanadium oxidation states exhibit four diverse colors, which only hint at the diverse reactions that these ions can undergo. Cationic vanadium ions form complexes with ligands; anionic vanadium ions form complexes with ligands and self-react to form isopolyanions. All vanadium species undergo oxidation-reduction reactions. With a few exceptions, elucidation of the dynamics of these reactions awaited the development of fast reaction techniques before the kinetics of elementary ligation, condensation, reduction, and oxidation of the aqueous vanadium ions could be investigated. As the biological roles played by endogenous and therapeutic vanadium expand, it is appropriate to bring the results of the diverse kinetics studies under one umbrella. To achieve this goal this review presents a systematic examination of elementary aqueous vanadium ion dynamics. Copyright © 2014 Elsevier Inc. All rights reserved.

A new algorithm for extended nonequilibrium molecular dynamics simulations of mixed flow

NARCIS (Netherlands)

Hunt, T.A.; Hunt, Thomas A.; Bernardi, Stefano; Todd, B.D.

2010-01-01

In this work, we develop a new algorithm for nonequilibrium molecular dynamics of fluids under planar mixed flow, a linear combination of planar elongational flow and planar Couette flow. To date, the only way of simulating mixed flow using nonequilibrium molecular dynamics techniques was to impose

IBiSA_Tools: A Computational Toolkit for Ion-Binding State Analysis in Molecular Dynamics Trajectories of Ion Channels.

Directory of Open Access Journals (Sweden)

Kota Kasahara

Full Text Available Ion conduction mechanisms of ion channels are a long-standing conundrum. Although the molecular dynamics (MD method has been extensively used to simulate ion conduction dynamics at the atomic level, analysis and interpretation of MD results are not straightforward due to complexity of the dynamics. In our previous reports, we proposed an analytical method called ion-binding state analysis to scrutinize and summarize ion conduction mechanisms by taking advantage of a variety of analytical protocols, e.g., the complex network analysis, sequence alignment, and hierarchical clustering. This approach effectively revealed the ion conduction mechanisms and their dependence on the conditions, i.e., ion concentration and membrane voltage. Here, we present an easy-to-use computational toolkit for ion-binding state analysis, called IBiSA_tools. This toolkit consists of a C++ program and a series of Python and R scripts. From the trajectory file of MD simulations and a structure file, users can generate several images and statistics of ion conduction processes. A complex network named ion-binding state graph is generated in a standard graph format (graph modeling language; GML, which can be visualized by standard network analyzers such as Cytoscape. As a tutorial, a trajectory of a 50 ns MD simulation of the Kv1.2 channel is also distributed with the toolkit. Users can trace the entire process of ion-binding state analysis step by step. The novel method for analysis of ion conduction mechanisms of ion channels can be easily used by means of IBiSA_tools. This software is distributed under an open source license at the following URL: http://www.ritsumei.ac.jp/~ktkshr/ibisa_tools/.

Study of ammonium molecular ion impurity modes in Rb1-x(NH4)xI mixed crystals by inelastic incoherent neutron scattering

International Nuclear Information System (INIS)

Smirnov, L.S.; Natkaniec, I.; Ollivier, J.; Dianoux, J.A.; Martinez Sarrion, M.L.; Mestres, L.

2010-01-01

The study of ammonium dynamics in Rb 1-x (NH 4 ) x I mixed crystals was carried out by inelastic incoherent neutron scattering in the concentration region of orientationally disordered α-phase, 0.0< x<0.40, at the temperature range from 2 to 150 K. The observed resonance modes correspond to three energy regions: 0.19-0.481 (I), 0.56-3.0 (II) and 4.0-10.0 (III) meV. The modes of region I could be described by rotational tunneling energies of the multipole moments of ammonium ions. The modes within energy region II correspond to the calculated rotational tunneling energies between splitted levels of the ground librational level of ammonium ion. The modes of region III can be described as local gap modes of ammonium ion because they are located between acoustic and optic branches of RbI phonon density of states

Structure and Dynamics of Negative Ions

International Nuclear Information System (INIS)

None

2000-01-01

This report describes progress made during the final three-year grant period 1997-2000. During this period, we experimentally investigated the structure and dynamics of negative ions by detaching the outermost electron in controlled processes induced by photon-, electron- and heavy particle-impact. In this manner we studied, at a fundamental level, the role of electron correlation in the structure and dynamics of simple, few-particle atomic systems. Our measurements have provided sensitive tests of the ability of theory to go beyond the independent electron model

Static harmonization of dynamically harmonized Fourier transform ion cyclotron resonance cell.

Science.gov (United States)

Zhdanova, Ekaterina; Kostyukevich, Yury; Nikolaev, Eugene

2017-08-01

Static harmonization in the Fourier transform ion cyclotron resonance cell improves the resolving power of the cell and prevents dephasing of the ion cloud in the case of any trajectory of the charged particle, not necessarily axisymmetric cyclotron (as opposed to dynamic harmonization). We reveal that the Fourier transform ion cyclotron resonance cell with dynamic harmonization (paracell) is proved to be statically harmonized. The volume of the statically harmonized potential distribution increases with an increase in the number of trap segments.

Molecular dynamics and brownian dynamics investigation of ion permeation and anesthetic halothane effects on a proton-gated ion channel.

Science.gov (United States)

Cheng, Mary Hongying; Coalson, Rob D; Tang, Pei

2010-11-24

Bacterial Gloeobacter violaceus pentameric ligand-gated ion channel (GLIC) is activated to cation permeation upon lowering the solution pH. Its function can be modulated by anesthetic halothane. In the present work, we integrate molecular dynamics (MD) and Brownian dynamics (BD) simulations to elucidate the ion conduction, charge selectivity, and halothane modulation mechanisms in GLIC, based on recently resolved X-ray crystal structures of the open-channel GLIC. MD calculations of the potential of mean force (PMF) for a Na(+) revealed two energy barriers in the extracellular domain (R109 and K38) and at the hydrophobic gate of transmembrane domain (I233), respectively. An energy well for Na(+) was near the intracellular entrance: the depth of this energy well was modulated strongly by the protonation state of E222. The energy barrier for Cl(-) was found to be 3-4 times higher than that for Na(+). Ion permeation characteristics were determined through BD simulations using a hybrid MD/continuum electrostatics approach to evaluate the energy profiles governing the ion movement. The resultant channel conductance and a near-zero permeability ratio (P(Cl)/P(Na)) were comparable to experimental data. On the basis of these calculations, we suggest that a ring of five E222 residues may act as an electrostatic gate. In addition, the hydrophobic gate region may play a role in charge selectivity due to a higher dehydration energy barrier for Cl(-) ions. The effect of halothane on the Na(+) PMF was also evaluated. Halothane was found to perturb salt bridges in GLIC that may be crucial for channel gating and open-channel stability, but had no significant impact on the single ion PMF profiles.

Persistent low-temperature spin dynamics in the mixed-valence iridate Ba3InIr2O9

Science.gov (United States)

Dey, Tusharkanti; Majumder, M.; Orain, J. C.; Senyshyn, A.; Prinz-Zwick, M.; Bachus, S.; Tokiwa, Y.; Bert, F.; Khuntia, P.; Büttgen, N.; Tsirlin, A. A.; Gegenwart, P.

2017-11-01

Using thermodynamic measurements, neutron diffraction, nuclear magnetic resonance, and muon spin relaxation, we establish putative quantum spin-liquid behavior in Ba3InIr2O9 , where unpaired electrons are localized on mixed-valence Ir2O9 dimers with Ir4.5 + ions. Despite the antiferromagnetic Curie-Weiss temperature on the order of 10 K, neither long-range magnetic order nor spin freezing are observed down to at least 20 mK, such that spins are short-range correlated and dynamic over nearly three decades in temperature. Quadratic power-law behavior of both the spin-lattice relaxation rate and specific heat indicates the gapless nature of the ground state. We envisage that this exotic behavior may be related to an unprecedented combination of the triangular and buckled honeycomb geometries of nearest-neighbor exchange couplings in the mixed-valence setting.

Preferential solvation, ion pairing, and dynamics of concentrated aqueous solutions of divalent metal nitrate salts

Science.gov (United States)

Yadav, Sushma; Chandra, Amalendu

2017-12-01

We have investigated the characteristics of preferential solvation of ions, structure of solvation shells, ion pairing, and dynamics of aqueous solutions of divalent alkaline-earth metal nitrate salts at varying concentration by means of molecular dynamics simulations. Hydration shell structures and the extent of preferential solvation of the metal and nitrate ions in the solutions are investigated through calculations of radial distribution functions, tetrahedral ordering, and also spatial distribution functions. The Mg2+ ions are found to form solvent separated ion-pairs while the Ca2+ and Sr2+ ions form contact ion pairs with the nitrate ions. These findings are further corroborated by excess coordination numbers calculated through Kirkwood-Buff G factors for different ion-ion and ion-water pairs. The ion-pairing propensity is found to be in the order of Mg(NO3) 2 lead to the presence of substantial dynamical heterogeneity in these solutions of strongly interacting ions. The current study helps us to understand the molecular details of hydration structure, ion pairing, and dynamics of water in the solvation shells and also of ion diffusion in aqueous solutions of divalent metal nitrate salts.

Longitudinal and transverse dynamics of ions from residual gas in an electron accelerator

Science.gov (United States)

Gamelin, A.; Bruni, C.; Radevych, D.

2018-05-01

The ion cloud produced from residual gas in an electron accelerator can degrade machine performances and produce instabilities. The ion dynamics in an accelerator is governed by the beam-ion interaction, magnetic fields and eventual mitigation strategies. Due to the fact that the beam has a nonuniform transverse size along its orbit, the ions move longitudinally and accumulate naturally at some points in the accelerator. In order to design effective mitigation strategies it is necessary to understand the ion dynamics not only in the transverse plane but also in the longitudinal direction. After introducing the physics behind the beam-ion interaction, we show how to get accumulation points for a realistic electron storage ring lattice. Simulations of the ion cloud dynamics, including the effect of magnetic fields on the ions, clearing electrodes and clearing gaps are shown. Longitudinal ion trapping due to the magnetic mirror effect in the dipole fringe fields is also detailed. Finally, the effectiveness of clearing electrode using longitudinal clearing fields is discussed and compared to clearing electrodes producing transverse field only.

Molecular dynamics simulations of ion range profiles for heavy ions in light targets

Energy Technology Data Exchange (ETDEWEB)

Lan, C. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); State Key Laboratory of Nuclear Physics and Technology, Peking University, 100871 (China); Xue, J.M. [State Key Laboratory of Nuclear Physics and Technology, Peking University, 100871 (China); Zhang, Y., E-mail: Zhangy1@ornl.gov [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Morris, J.R. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Zhu, Z. [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Gao, Y.; Wang, Y.G.; Yan, S. [State Key Laboratory of Nuclear Physics and Technology, Peking University, 100871 (China); Weber, W.J. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

2012-09-01

The determination of stopping powers for slow heavy ions in targets containing light elements is important to accurately describe ion-solid interactions, evaluate ion irradiation effects and predict ion ranges for device fabrication and nuclear applications. Recently, discrepancies of up to 40% between the experimental results and SRIM (Stopping and Range of Ions in Matter) predictions of ion ranges for heavy ions with medium and low energies (<{approx}25 keV/nucleon) in light elemental targets have been reported. The longer experimental ion ranges indicate that the stopping powers used in the SRIM code are overestimated. Here, a molecular dynamics simulation scheme is developed to calculate the ion ranges of heavy ions in light elemental targets. Electronic stopping powers generated from both a reciprocity approach and the SRIM code are used to investigate the influence of electronic stopping on ion range profiles. The ion range profiles for Au and Pb ions in SiC and Er ions in Si, with energies between 20 and 5250 keV, are simulated. The simulation results show that the depth profiles of implanted ions are deeper and in better agreement with the experiments when using the electronic stopping power values derived from the reciprocity approach. These results indicate that the origin of the discrepancy in ion ranges between experimental results and SRIM predictions in the low energy region may be an overestimation of the electronic stopping powers used in SRIM.

A metal ion charged mixed matrix membrane for selective adsorption of hemoglobin

NARCIS (Netherlands)

Tetala, K.K.R.; Skrzypek, K.; Levisson, M.; Stamatialis, D.F.

2013-01-01

In this work, we developed a mixed matrix membrane by incorporating 20–40 µm size iminodiacetic acid modified immobeads within porous Ethylene vinyl alcohol (EVAL) polymer matrix. The MMM were charged with copper ions for selective adsorption of bovine hemoglobin in presence of bovine serum albumin.

Nuclear dynamics in heavy ion induced fusion-fission reactions

International Nuclear Information System (INIS)

Kapoor, S.S.

1992-01-01

Heavy ion induced fission and fission-like reactions evolve through a complex nuclear dynamics encountered in the medium energy nucleus-nucleus collisions. In the recent years, measurements of the fragment-neutron and fragment-charged particle angular correlations in heavy ion induced fusion-fission reactions, have provided new information on the dynamical times of nuclear deformations of the initial dinuclear complex to the fission saddle point and the scission point. From the studies of fragment angular distributions in heavy ion induced fission it has been possible to infer the relaxation times of the dinuclear complex in the K-degree of freedom and our recent measurements on the entrance channel dependence of fragment anisotropies have provided an experimental signature of the presence of fissions before K-equilibration. This paper reviews recent experimental and theoretical status of the above studies with particular regard to the questions relating to dynamical times, nuclear dissipation and the effect of nuclear dissipation on the K-distributions at the fission saddle in completely equilibrated compound nucleus. (author). 19 refs., 9 figs

Dynamical chaos of plasma ions in electrostatic waves

International Nuclear Information System (INIS)

Fasoli, A.; Kleiber, R.; Tran, M.Q.; Paris, P.J.; Skiff, F.

1992-09-01

Chaos generated by the interaction between charged particles and electrostatic plasma waves has been observed in a linear magnetized plasma. The macroscopic wave properties, the kinetic ion dielectric response and the microscopic heating mechanisms have been investigated via optical diagnostic techniques based on laser induced fluorescence. Observations of test-particle dynamical evolution indicate an exponential separation of initially close ion trajectories. (author) 5 figs., 20 refs

Lithium-ion battery dynamic model for wide range of operating conditions

DEFF Research Database (Denmark)

Stroe, Ana-Irina; Stroe, Daniel-Ioan; Swierczynski, Maciej Jozef

2017-01-01

In order to analyze the dynamic behavior of a Lithium-ion (Li-ion) battery and to determine their suitability for various applications, battery models are needed. An equivalent electrical circuit model is the most common way of representing the behavior of a Li-ion battery. There are different...... characterization tests performed for a wide range of operating conditions (temperature, load current and state-of-charge) on a commercial available 13Ah high-power lithium titanate oxide battery cell. The obtained results were used to parametrize the proposed dynamic model of the battery cell. To assess...

B meson mixing and low-energy dynamical flavour

International Nuclear Information System (INIS)

Chkareuli, J.L.

1990-01-01

The low-energy quantum flavour dynamics offered by the local horizontal symmetry SU(3) H for quark-lepton families is presented in some detail. It is shown that spontaneous breaking of this symmetry naturally leads to the simple Fritzsch ansatz for the quark mass matrices and simultaneously provides the observed magnitude of B d 0 -anti B d 0 mixing without any appreciable perturbation of the K 0 -anti K 0 system. This mixing determines a real scale for the masses of the SU(3) H gauge bosons. In marked contrast to the standard model this new approach is certain to give rise to small B s 0 -anti B s 0 mixing and large D 0 -anti D 0 mixing that can be of real interest in the near future. (orig.)

The molecular dynamics simulation of ion-induced ripple growth

International Nuclear Information System (INIS)

Suele, P.; Heinig, K.-H.

2009-01-01

The wavelength-dependence of ion-sputtering induced growth of repetitive nanostructures, such as ripples has been studied by molecular dynamics (MD) simulations in Si. The early stage of the ion erosion driven development of ripples has been simulated on prepatterned Si stripes with a wavy surface. The time evolution of the height function and amplitude of the sinusoidal surface profile has been followed by simulated ion-sputtering. According to Bradley-Harper (BH) theory, we expect correlation between the wavelength of ripples and the stability of them. However, we find that in the small ripple wavelength (λ) regime BH theory fails to reproduce the results obtained by molecular dynamics. We find that at short wavelengths (λ 35 nm is stabilized in accordance with the available experimental results. According to the simulations, few hundreds of ion impacts in λ long and few nanometers wide Si ripples are sufficient for reaching saturation in surface growth for for λ>35 nm ripples. In another words, ripples in the long wavelength limit seems to be stable against ion-sputtering. A qualitative comparison of our simulation results with recent experimental data on nanopatterning under irradiation is attempted.

A metal ion charged mixed matrix membrane for selective adsorption of hemoglobin

NARCIS (Netherlands)

Tetala, K.K.R.; Skrzypek, Katarzyna; Levisson, M.; Stamatialis, Dimitrios

2013-01-01

In this work, we developed a mixed matrix membrane by incorporating 20–40 μm size iminodiacetic acid modified immobeads within porous Ethylene vinyl alcohol (EVAL) polymer matrix. The MMM were charged with copper ions for selective adsorption of bovine hemoglobin in presence of bovine serum albumin.

ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT, AND SYSTEM DYNAMICS IN HALL EFFECT THRUSTERS

Science.gov (United States)

2017-06-30

NUMBER (Include area code) 30 June 2017 Briefing Charts 26 May 2017 - 30 June 2017 ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT, AND SYSTEM DYNAMICS ...Robert Martin N/A ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT, AND SYSTEM DYNAMICS IN HALL EFFECT THRUSTERS Robert Martin1, Jonathan Tran2 1AIR FORCE...Approved for Public Release; Distribution is Unlimited. PA# 17394 1 / 13 OUTLINE 1 INTRODUCTION 2 TRANSPORT 3 DYNAMIC SYSTEM 4 SUMMARY AND CONCLUSION

Dynamical ion transfer between coupled Coulomb crystals in a double-well potential.

Science.gov (United States)

Klumpp, Andrea; Zampetaki, Alexandra; Schmelcher, Peter

2017-09-01

We investigate the nonequilibrium dynamics of coupled Coulomb crystals of different sizes trapped in a double well potential. The dynamics is induced by an instantaneous quench of the potential barrier separating the two crystals. Due to the intra- and intercrystal Coulomb interactions and the asymmetric population of the potential wells, we observe a complex reordering of ions within the two crystals as well as ion transfer processes from one well to the other. The study and analysis of the latter processes constitutes the main focus of this work. In particular, we examine the dependence of the observed ion transfers on the quench amplitude performing an analysis for different crystalline configurations ranging from one-dimensional ion chains via two-dimensional zigzag chains and ring structures to three-dimensional spherical structures. Such an analysis provides us with the means to extract the general principles governing the ion transfer dynamics and we gain some insight on the structural disorder caused by the quench of the barrier height.

Magnetostatics and dynamics of ion irradiatied NiFe/Ta multilayer films studied by vector network analyzer ferromagnetic resonance

International Nuclear Information System (INIS)

Marko, Daniel

2010-01-01

In the present work, the implications of ion irradiation on the magnetostatic and dynamic properties of soft magnetic Py/Ta (Py=Permalloy: Ni 80 Fe 20 ) single and multilayer films have been investigated with the main objective of finding a way to determine their saturation magnetization. Both polar magneto-optical Kerr effect (MOKE) and vector network analyzer ferromagnetic resonance (VNA-FMR) measurements have proven to be suitable methods to determine μ 0 M S , circumventing the problem of the unknown effective magnetic volume that causes conventional techniques such as SQUID or VSM to fail. Provided there is no perpendicular anisotropy contribution in the samples, the saturation magnetization can be determined even in the case of strong interfacial mixing due to an inherently high number of Py/Ta interfaces and/or ion irradiation with high fluences. Another integral part of this work has been to construct a VNA-FMR spectrometer capable of performing both azimuthal and polar angle-dependent measurements using a magnet strong enough to saturate samples containing iron. Starting from scratch, this comprised numerous steps such as developing a suitable coplanar waveguide design, and writing the control, evaluation, and fitting software. With both increasing ion fluence and number of Py/Ta interfaces, a decrease of saturation magnetization has been observed. In the case of the 10 x Py samples, an immediate decrease of μ 0 M S already sets in at small ion fluences. However, for the 1 x Py and 5 x Py samples, the saturation magnetization remains constant up to a certain ion fluence, but then starts to rapidly decrease. Ne ion irradiation causes a mixing and broadening of the interfaces. Thus, the Py/Ta stacks undergo a transition from being polycrystalline to amorphous at a critical fluence depending on the number of interfaces. The saturation magnetization is found to vanish at a Ta concentration of about 10-15 at.% in the Py layers. The samples possess a small

Magnetostatics and dynamics of ion irradiatied NiFe/Ta multilayer films studied by vector network analyzer ferromagnetic resonance

Energy Technology Data Exchange (ETDEWEB)

Marko, Daniel

2010-11-25

In the present work, the implications of ion irradiation on the magnetostatic and dynamic properties of soft magnetic Py/Ta (Py=Permalloy: Ni{sub 80}Fe{sub 20}) single and multilayer films have been investigated with the main objective of finding a way to determine their saturation magnetization. Both polar magneto-optical Kerr effect (MOKE) and vector network analyzer ferromagnetic resonance (VNA-FMR) measurements have proven to be suitable methods to determine {mu}{sub 0}M{sub S}, circumventing the problem of the unknown effective magnetic volume that causes conventional techniques such as SQUID or VSM to fail. Provided there is no perpendicular anisotropy contribution in the samples, the saturation magnetization can be determined even in the case of strong interfacial mixing due to an inherently high number of Py/Ta interfaces and/or ion irradiation with high fluences. Another integral part of this work has been to construct a VNA-FMR spectrometer capable of performing both azimuthal and polar angle-dependent measurements using a magnet strong enough to saturate samples containing iron. Starting from scratch, this comprised numerous steps such as developing a suitable coplanar waveguide design, and writing the control, evaluation, and fitting software. With both increasing ion fluence and number of Py/Ta interfaces, a decrease of saturation magnetization has been observed. In the case of the 10 x Py samples, an immediate decrease of {mu}{sub 0}M{sub S} already sets in at small ion fluences. However, for the 1 x Py and 5 x Py samples, the saturation magnetization remains constant up to a certain ion fluence, but then starts to rapidly decrease. Ne ion irradiation causes a mixing and broadening of the interfaces. Thus, the Py/Ta stacks undergo a transition from being polycrystalline to amorphous at a critical fluence depending on the number of interfaces. The saturation magnetization is found to vanish at a Ta concentration of about 10-15 at.% in the Py layers

On the phenomenon of mixed dynamics in Pikovsky-Topaj system of coupled rotators

Science.gov (United States)

Gonchenko, A. S.; Gonchenko, S. V.; Kazakov, A. O.; Turaev, D. V.

2017-07-01

A one-parameter family of time-reversible systems on three-dimensional torus is considered. It is shown that the dynamics is not conservative, namely the attractor and repeller intersect but not coincide. We explain this as the manifestation of the so-called mixed dynamics phenomenon which corresponds to a persistent intersection of the closure of the stable periodic orbits and the closure of the completely unstable periodic orbits. We search for the stable and unstable periodic orbits indirectly, by finding non-conservative saddle periodic orbits and heteroclinic connections between them. In this way, we are able to claim the existence of mixed dynamics for a large range of parameter values. We investigate local and global bifurcations that can be used for the detection of mixed dynamics.

Surface dynamics of voltage-gated ion channels

Science.gov (United States)

Heine, Martin; Ciuraszkiewicz, Anna; Voigt, Andreas; Heck, Jennifer; Bikbaev, Arthur

2016-01-01

ABSTRACT Neurons encode information in fast changes of the membrane potential, and thus electrical membrane properties are critically important for the integration and processing of synaptic inputs by a neuron. These electrical properties are largely determined by ion channels embedded in the membrane. The distribution of most ion channels in the membrane is not spatially uniform: they undergo activity-driven changes in the range of minutes to days. Even in the range of milliseconds, the composition and topology of ion channels are not static but engage in highly dynamic processes including stochastic or activity-dependent transient association of the pore-forming and auxiliary subunits, lateral diffusion, as well as clustering of different channels. In this review we briefly discuss the potential impact of mobile sodium, calcium and potassium ion channels and the functional significance of this for individual neurons and neuronal networks. PMID:26891382

Dynamics of fast ions in Tokamaks

International Nuclear Information System (INIS)

Helander, P.

1994-01-01

Fast ions play a prominent role in the heating of tokamak plasmas by, e.g. neutral-beam injection, ion-cyclotron-resonance heating, and alpha-particle heating. In this thesis, a number of physical and mathematical problems concerning the dynamics of fast ions in tokamaks are addressed. First, the motion under adiabatic perturbations is studied. The frequencies of instabilities excited in tokamaks sometimes vary slowly with time. The existence of an adiabatic invariant of particle motion in such circumstances is shown to lead to a rapid convection of particles in the radial direction. Generalized adiabatic invariants are constructed for systems where the slowly varying parameter is subjected to small, but rapidly varying, fluctuations. Second, the onset of stochastic motion under resonant perturbations is considered. It is shown that the finite width of fast-ion drift orbits significantly affects the threshold for stochastic motion caused by magnetic field ripple or ion-cyclotron-resonance heating. Finite-orbit-width effects are also shown to reduce the strength of resonant interaction between alpha particles and internal kink modes. Third, the diffusive motion in the stochastic regime is analysed mathematically. Monte Carlo operators for the motion on long time-scales are constructed, and the validity of the quasilinear diffusion coefficient is examined. Finally, the effects of close ion collisions are investigated. It is demonstrated that close encounters with fast ions produce a high-energy tail in the distribution functions of impurity ions, and that close collisions between fusion-generated alpha particles give rise to a population of such particles with energies extending up to twice the birth energy. 44 refs

Time-dependent nonlinear Jaynes-Cummings dynamics of a trapped ion

Science.gov (United States)

Krumm, F.; Vogel, W.

2018-04-01

In quantum interaction problems with explicitly time-dependent interaction Hamiltonians, the time ordering plays a crucial role for describing the quantum evolution of the system under consideration. In such complex scenarios, exact solutions of the dynamics are rarely available. Here we study the nonlinear vibronic dynamics of a trapped ion, driven in the resolved sideband regime with some small frequency mismatch. By describing the pump field in a quantized manner, we are able to derive exact solutions for the dynamics of the system. This eventually allows us to provide analytical solutions for various types of time-dependent quantities. In particular, we study in some detail the electronic and the motional quantum dynamics of the ion, as well as the time evolution of the nonclassicality of the motional quantum state.

Dynamical coupling of electrons and ions in Xray-induced dynamics

International Nuclear Information System (INIS)

Saalmann, Ulf; Camacho, Abraham; Rost, Jan-Michael

2015-01-01

Photo-absorption from short and intense Xray pulses by a molecule or a cluster triggers a complicated electron and ion dynamics. Whereas the excitation process concerns largely core-shell electrons, there are various subsequent relaxation channels like electronic decays and ionic Coulomb explosion. We will discuss the interplay of those processes for molecular clusters and fullerenes. (paper)

Study of ammonia dynamics in mixed crystals K1-x(NH4)xHal (Hal = Cl, Br, I) by the inelastic neutron scattering

International Nuclear Information System (INIS)

Natkanets, I.; Smirnov, L.S.; Solov'ev, A.I.; )

1997-01-01

The investigation of the dynamics of ammonium ion in the disordered α-phase of mixed crystals K 1-x (NH 4 ) x Hal (Hal = Cl, Br, I) is carried out by the inelastic incoherent neutron scattering (IINS) method. IINS spectra are measured in the 2-200 meV energy range and the 10-300 K temperature range by the time-of-flight method. The generalized densities of phonon states are defined in the single-phonon approximation. It is found out that the libration mode of ammonium ion has the weak concentration dependence. Resonant modes are observed at low temperature for all concentration range of the existence of the disordered α-phase. The broadening of resonant modes at the expensive of the jump rotation diffusion of ammonium ions takes place at temperature above 10 K [ru

Detection of mixing dynamics during pumping of a flooded coal mine.

Science.gov (United States)

Elliot, Trevor; Younger, Paul L

2014-01-01

In complex hydrogeological environments the effective management of groundwater quality problems by pump-and-treat operations can be most confidently achieved if the mixing dynamics induced within the aquifer by pumping are well understood. The utility of isotopic environmental tracers (C-, H-, O-, S-stable isotopic analyses and age indicators-(14) C, (3) H) for this purpose is illustrated by the analysis of a pumping test in an abstraction borehole drilled into flooded, abandoned coal mineworkings at Deerplay (Lancashire, UK). Interpretation of the isotope data was undertaken conjunctively with that of major ion hydrochemistry, and interpreted in the context of the particular hydraulic setting of flooded mineworkings to identify the sources and mixing of water qualities in the groundwater system. Initial pumping showed breakdown of initial water quality stratification in the borehole, and gave evidence for distinctive isotopic signatures (δ(34) S(SO4) ≅ -1.6‰, δ(18) O(SO4 ) ≅ +15‰) associated with primary oxidation of pyrite in the zone of water table fluctuation-the first time this phenomenon has been successfully characterized by these isotopes in a flooded mine system. The overall aim of the test pumping-to replace an uncontrolled outflow from a mine entrance in an inconvenient location with a pumped discharge on a site where treatment could be provided-was swiftly achieved. Environmental tracing data illustrated the benefits of pumping as little as possible to attain this aim, as higher rates of pumping induced in-mixing of poorer quality waters from more distant old workings, and/or renewed pyrite oxidation in the shallow subsurface. © 2013, National Ground Water Association.

Atomic mixing of metallic bilayers Ni/Ti irradiated with high energy heavy ions; Etude du melange ionique de bicouches metalliques Ni/Ti irradiees avec des ions lourds de haute energie

Energy Technology Data Exchange (ETDEWEB)

Leguay, R

1994-09-26

We have studied the ionic mixing of Nl(105 angstrom) bilayers irradiated, at 80 and 300 K. with GeV heavy ions. In this energy range, the energy transfer from the incident ions to the target occurs mainly through electronic excitations. We have shown that this energy transfer induces a strong ionic mixing at the Nl/Ti interface. The thickness of the mixed interlayer increases with the fluence. At low fluences (10{sup 12} ions/cm{sup 2}), the Nl/Ti interface is rough ; at higher fluences (10{sup 13} ions/cm{sup 2}) a homogeneous mixed interlayer appears ; and at even higher fluences (some 10{sup 13} ions/cm{sup 2}) a preferential diffusion of Ni into Ti is clearly seen. The characterization techniques used are: (1) electrical resistivity measurements which allow to follow in situ the damage kinetic. (II) neutron and X-ray reflectometry. (III) elaboration of transverse cuts on which was performed energy loss spectroscopy. (II) and (III) allow the determination of the concentration profiles of the different species present in the sample. (IV) transmission electron microscopy on the transverse cuts which gives a direct image of the different layers. (author). 11 refs., 103 figs., 23 tabs., 2 appends.

Ion beam mixing isotopic metal bilayers

Energy Technology Data Exchange (ETDEWEB)

Fell, C.J. [Newcastle Univ., NSW (Australia). Dept. of Physics; Kenny, M.J. [CSIRO, Lindfield, NSW (Australia). Div. of Applied Physics

1993-12-31

In order to obtain an insight into the mechanisms of ion-solid interactions, bilayer targets can be prepared from two different isotopes. A mixing study SIMS is to be carried out using specially grown monocrystalline bilayers of {sup 58}Ni / {sup 60}Ni. An important aspect of the work is the preparation of high quality single-crystal thin films. The Ni layers will be grown on the (110) surface of pure Ni and verified for crystallinity using Reflection High-Energy Electron Diffraction and Rutherford Backscattering channelling analysis. The Pd bilayers will be grown on a Pd (100) surface. RHEED will be used to confirm the two-dimensional crystallinity of the surface before and after deposition of each layer, and channelling used to confirm bulk film crystallinity. Single crystal substrates are currently being prepared. Analysis of the Ni (110) surface using RHEED at 9 kV shows a streak spacing which corresponds to a lattice spacing of 2.47 {+-} 0.09 Angstroms. 9 refs., 1 fig.

Ion beam mixing isotopic metal bilayers

Energy Technology Data Exchange (ETDEWEB)

Fell, C J [Newcastle Univ., NSW (Australia). Dept. of Physics; Kenny, M J [CSIRO, Lindfield, NSW (Australia). Div. of Applied Physics

1994-12-31

In order to obtain an insight into the mechanisms of ion-solid interactions, bilayer targets can be prepared from two different isotopes. A mixing study SIMS is to be carried out using specially grown monocrystalline bilayers of {sup 58}Ni / {sup 60}Ni. An important aspect of the work is the preparation of high quality single-crystal thin films. The Ni layers will be grown on the (110) surface of pure Ni and verified for crystallinity using Reflection High-Energy Electron Diffraction and Rutherford Backscattering channelling analysis. The Pd bilayers will be grown on a Pd (100) surface. RHEED will be used to confirm the two-dimensional crystallinity of the surface before and after deposition of each layer, and channelling used to confirm bulk film crystallinity. Single crystal substrates are currently being prepared. Analysis of the Ni (110) surface using RHEED at 9 kV shows a streak spacing which corresponds to a lattice spacing of 2.47 {+-} 0.09 Angstroms. 9 refs., 1 fig.

Mixed mobile ion effect on a.c. conductivity of boroarsenate glasses

Indian Academy of Sciences (India)

In this article we report the study of mixed mobile ion effect (MMIE) in boroarsenate glasses. DSC and a.c. electrical conductivity studies have been carried out for MgO–(25−)Li2O–50B2O3–25As2O3 glasses. It is observed that strength of MMIE in a.c. conductivity is less pronounced with increase in temperature and ...

Semiconductors Under Ion Radiation: Ultrafast Electron-Ion Dynamics in Perfect Crystals and the Effect of Defects

Science.gov (United States)

Lee, Cheng-Wei; Schleife, André

Stability and safety issues have been challenging difficulties for materials and devices under radiation such as solar panels in outer space. On the other hand, radiation can be utilized to modify materials and increase their performance via focused-ion beam patterning at nano-scale. In order to grasp the underlying processes, further understanding of the radiation-material and radiation-defect interactions is required and inevitably involves the electron-ion dynamics that was traditionally hard to capture. By applying Ehrenfest dynamics based on time-dependent density functional theory, we have been able to perform real-time simulation of electron-ion dynamics in MgO and InP/GaP. By simulating a high-energy proton penetrating the material, the energy gain of electronic system can be interpreted as electronic stopping power and the result is compared to existing data. We also study electronic stopping in the vicinity of defects: for both oxygen vacancy in MgO and interface of InP/GaP superlattice, electronic stopping shows strong dependence on the velocity of the proton. To study the energy transfer from electronic system to lattice, simulations of about 100 femto-seconds are performed and we analyze the difference between Ehrenfest and Born-Oppenheimer molecular dynamics.

Beam-front dynamics and ion acceleration in drifting intense relativistic electron beams

International Nuclear Information System (INIS)

Alexander, K.F.; Hintze, W.

1976-01-01

Collective ion acceleration at the injection of a relativistic electron beam into a low-pressure gas or a plasma is discussed and its strong dependence on the beam-front dynamics is shown. A simple one-dimensional model taking explicitly into account the motion and ionizing action of the ions in the beam-front region is developed for the calculation of the beam drift velocity. The obtained pressure dependence is in good agreement with experimental data. The energy distribution is shown of the ions accelerated in the moving potential well of the space charge region. Scaling laws for the beam-front dynamics and ion acceleration are derived. (J.U.)

Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl-CaCl2)

Energy Technology Data Exchange (ETDEWEB)

Bourg, I.C.; Sposito, G.

2011-04-01

We report new molecular dynamics results elucidating the structure of the electrical double layer (EDL) on smectite surfaces contacting mixed NaCl-CaCl{sup 2} electrolyte solutions in the range of concentrations relevant to pore waters in geologic repositories for CO{sub 2} or high-level radioactive waste (0.34-1.83 mol{sub c} dm{sup -3}). Our results confirm the existence of three distinct ion adsorption planes (0-, {beta}-, and d-planes), often assumed in EDL models, but with two important qualifications: (1) the location of the {beta}- and d-planes are independent of ionic strength or ion type and (2) 'indifferent electrolyte' ions can occupy all three planes. Charge inversion occurred in the diffuse ion swarm because of the affinity of the clay surface for CaCl{sup +} ion pairs. Therefore, at concentrations 0.34 mol{sub c} dm{sup -3}, properties arising from long-range electrostatics at interfaces (electrophoresis, electro-osmosis, co-ion exclusion, colloidal aggregation) will not be correctly predicted by most EDL models. Co-ion exclusion, typically neglected by surface speciation models, balanced a large part of the clay mineral structural charge in the more concentrated solutions. Water molecules and ions diffused relatively rapidly even in the first statistical water monolayer, contradicting reports of rigid 'ice-like' structures for water on clay mineral surfaces.

Investigation of mixed ion fields in the forward direction for 220.5 MeV/u helium ion beams: comparison between water and PMMA targets

Science.gov (United States)

Aricò, G.; Gehrke, T.; Jakubek, J.; Gallas, R.; Berke, S.; Jäkel, O.; Mairani, A.; Ferrari, A.; Martišíková, M.

2017-10-01

Currently there is a rising interest in helium ion beams for radiotherapy. For benchmarking of the physical beam models used in treatment planning, there is a need for experimental data on the composition and spatial distribution of mixed ion fields. Of particular interest are the attenuation of the primary helium ion fluence and the build-up of secondary hydrogen ions due to nuclear interactions. The aim of this work was to provide such data with an enhanced precision. Moreover, the validity and limits of the mixed ion field equivalence between water and PMMA targets were investigated. Experiments with a 220.5 MeV/u helium ion pencil beam were performed at the Heidelberg Ion-Beam Therapy Center in Germany. The compact detection system used for ion tracking and identification was solely based on Timepix position-sensitive semiconductor detectors. In comparison to standard techniques, this system is two orders of magnitude smaller, and provides higher precision and flexibility. The numbers of outgoing helium and hydrogen ions per primary helium ion as well as the lateral particle distributions were quantitatively investigated in the forward direction behind water and PMMA targets with 5.2-18 cm water equivalent thickness (WET). Comparing water and PMMA targets with the same WET, we found that significant differences in the amount of outgoing helium and hydrogen ions and in the lateral particle distributions arise for target thicknesses above 10 cm WET. The experimental results concerning hydrogen ions emerging from the targets were reproduced reasonably well by Monte Carlo simulations using the FLUKA code. Concerning the amount of outgoing helium ions, significant differences of 3-15% were found between experiments and simulations. We conclude that if PMMA is used in place of water in dosimetry, differences in the dose distributions could arise close to the edges of the field, in particular for deep seated targets. The results presented in this publication are

Mixed complex combinations with a new schiff base used as membranes ion-selective for copper and nickel ions, analytical applications)

International Nuclear Information System (INIS)

Mitu, L.; Tigae, C.

2009-01-01

Four electrodes with liquid membrane, Cu/sup 2+/ -selective and Ni/sup 2+/ -selective, not previously described in the literature, were prepared and characterized. Electrodes 1 and 2 are based on mixed complexes of Cu(II) and Ni(II) with isonicotinoylhydrazone-2-aldehyde pyrrole (INH2AP= HL/sup 1/) as ligand and electrodes 3 and 4 are based on the mixed complexes with isonicotinoyl- hydrazone-2-hydroxy-l-naphthaldehyde (INH2HNA = H/sub 2/L/sup 2/ ) Cu/sup 2+/. selective and Ni/sup 2+/ -selective electrodes have been used to determine the copper and nickel ions in aqueous solutions, by both direct potentiometric and potentiometric titration with EDTA. They have also been used for determining the Cu/sup 2+/ and Ni/sup 2+/ ions in industrial waters by direct potentiometry. The analytical results obtained have been checked by the standard addition method and by comparison with determinations through atomic absorption spectrometry. (author)

Generation of monoenergetic ion beams via ionization dynamics (Conference Presentation)

Science.gov (United States)

Lin, Chen; Kim, I. Jong; Yu, Jinqing; Choi, Il Woo; Ma, Wenjun; Yan, Xueqing; Nam, Chang Hee

2017-05-01

The research on ion acceleration driven by high intensity laser pulse has attracted significant interests in recent decades due to the developments of laser technology. The intensive study of energetic ion bunches is particularly stimulated by wide applications in nuclear fusion, medical treatment, warm dense matter production and high energy density physics. However, to implement such compact accelerators, challenges are still existing in terms of beam quality and stability, especially in applications that require higher energy and narrow bandwidth spectra ion beams. We report on the acceleration of quasi-mono-energetic ion beams via ionization dynamics in the interaction of an intense laser pulse with a solid target. Using ionization dynamics model in 2D particle-in-cell (PIC) simulations, we found that high charge state contamination ions can only be ionized in the central spot area where the intensity of sheath field surpasses their ionization threshold. These ions automatically form a microstructure target with a width of few micron scale, which is conducive to generate mono-energetic beams. In the experiment of ultraintense (< 10^21 W/cm^2) laser pulses irradiating ultrathin targets each attracted with a contamination layer of nm-thickness, high quality < 100 MeV mono-energetic ion bunches are generated. The peak energy of the self-generated micro-structured target ions with respect to different contamination layer thickness is also examined This is relatively newfound respect, which is confirmed by the consistence between experiment data and the simulation results.

Measurement of liquid mixing characteristics in large-sized ion exchange column for isotope separation by stepwise response method

International Nuclear Information System (INIS)

Fujine, Sachio; Saito, Keiichiro; Iwamoto, Kazumi; Itoi, Toshiaki.

1981-07-01

Liquid mixing in a large-sized ion exchange column for isotope separation was measured by the step-wise response method, using NaCl solution as tracer. A 50 cm diameter column was packed with an ion exchange resin of 200 μm in mean diameter. Experiments were carried out for several types of distributor and collector, which were attached to each end of the column. The smallest mixing was observed for the perforated plate type of the collector, coupled with a minimum stagnant volume above the ion exchange resin bed. The 50 cm diameter column exhibited the better characteristics of liquid mixing than the 2 cm diameter column for which the good performance of lithium isotope separation had already been confirmed. These results indicate that a large increment of throughput is attainable by the scale-up of column diameter with the same performance of isotope separation as for the 2 cm diameter column. (author)

On the influence of atomic mixing on the evolution of ion-implantation profiles

International Nuclear Information System (INIS)

Gras-Marti, A.; Jimenez-Rodriguez, J.J.; Peon-Fernandez, J.; Rodriguez-Vidal, M.

1982-01-01

Various processes contributing to the evolution of high-fluence implantation profiles in solids are considered within a general scheme. In particular the influence of atomic mixing is analysed. A Green function is derived which contains all the information on the instantaneous profile. In the Gaussian approximation, simple expressions for parameters which describe the ion-induced relocation effects on the depth profile are found. The contributions of recoil and cascade mixing are discussed. The relative significance of diffusive and collisional processes on the profiles can also be assessed. (author)

An ion-neutral model to investigate chemical ionization mass spectrometry analysis of atmospheric molecules - application to a mixed reagent ion system for hydroperoxides and organic acids

Science.gov (United States)

Heikes, Brian G.; Treadaway, Victoria; McNeill, Ashley S.; Silwal, Indira K. C.; O'Sullivan, Daniel W.

2018-04-01

An ion-neutral chemical kinetic model is described and used to simulate the negative ion chemistry occurring within a mixed-reagent ion chemical ionization mass spectrometer (CIMS). The model objective was the establishment of a theoretical basis to understand ambient pressure (variable sample flow and reagent ion carrier gas flow rates), water vapor, ozone and oxides of nitrogen effects on ion cluster sensitivities for hydrogen peroxide (H2O2), methyl peroxide (CH3OOH), formic acid (HFo) and acetic acid (HAc). The model development started with established atmospheric ion chemistry mechanisms, thermodynamic data and reaction rate coefficients. The chemical mechanism was augmented with additional reactions and their reaction rate coefficients specific to the analytes. Some existing reaction rate coefficients were modified to enable the model to match laboratory and field campaign determinations of ion cluster sensitivities as functions of CIMS sample flow rate and ambient humidity. Relative trends in predicted and observed sensitivities are compared as instrument specific factors preclude a direct calculation of instrument sensitivity as a function of sample pressure and humidity. Predicted sensitivity trends and experimental sensitivity trends suggested the model captured the reagent ion and cluster chemistry and reproduced trends in ion cluster sensitivity with sample flow and humidity observed with a CIMS instrument developed for atmospheric peroxide measurements (PCIMSs). The model was further used to investigate the potential for isobaric compounds as interferences in the measurement of the above species. For ambient O3 mixing ratios more than 50 times those of H2O2, O3-(H2O) was predicted to be a significant isobaric interference to the measurement of H2O2 using O2-(H2O2) at m/z 66. O3 and NO give rise to species and cluster ions, CO3-(H2O) and NO3-(H2O), respectively, which interfere in the measurement of CH3OOH using O2-(CH3OOH) at m/z 80. The CO3-(H2O

Adhesion-enhanced thick copper film deposition on aluminum oxide by an ion-beam-mixed Al seed layer

International Nuclear Information System (INIS)

Kim, Hyung-Jin; Park, Jae-Won

2012-01-01

We report a highly-adherent 30-μm Cu conductive-path coating on an aluminum-oxide layer anodized on an aluminum-alloy substrate for a metal-printed circuit-board application. A 50-nm Al layer was first coated with an e-beam evaporative deposition method on the anodized oxide, followed by ion bombardment to mix the interfacial region. Subsequently, a Cu coating was deposited onto the mixed seed layer to the designed thickness. Adhesions of the interface were tested by using tape adhesion test, and pull-off tests and showed commercially acceptable adhesions for such thick coating layers. The ion beam mixing (IBM) plays the role of fastening the thin seed coating layer to the substrate and enhancing the adhesion of the Cu conductive path on the anodized aluminum surface.

Dynamics of Mixed- Candida Species Biofilms in Response to Antifungals.

Science.gov (United States)

Vipulanandan, G; Herrera, M; Wiederhold, N P; Li, X; Mintz, J; Wickes, B L; Kadosh, D

2018-01-01

Oral infections caused by Candida species, the most commonly isolated human fungal pathogen, are frequently associated with biofilms. Although Candida albicans is the predominant organism found in patients with oral thrush, a biofilm infection, there is an increasing incidence of oral colonization and infections caused by non- albicans Candida species, including C. glabrata, C. dubliniensis, and C. tropicalis, which are frequently more resistant to antifungal treatment. While single-species Candida biofilms have been well studied, considerably less is known about the dynamics of mixed- Candida species biofilms and how these dynamics are altered by antifungal treatment. To address these questions, we developed a quantitative polymerase chain reaction-based approach to determine the precise species composition of mixed- Candida species biofilms formed by clinical isolates and laboratory strains in the presence and absence of clinically relevant concentrations of 3 commonly used antifungals: fluconazole, caspofungin, and amphotericin B. In monospecies biofilms, fluconazole exposure favored growth of C. glabrata and C. tropicalis, while caspofungin generally favored significant growth of all species to a varying degree. Fluconazole was not effective against preformed mixed- Candida species biofilms while amphotericin B was potent. As a general trend, in mixed- Candida species biofilms, C. albicans lost dominance in the presence of antifungals. Interestingly, presence in mixed versus monospecies biofilms reduced susceptibility to amphotericin B for C. tropicalis and C. glabrata. Overall, our data suggest that antifungal treatment favors the growth of specific non- albicans Candida species in mixed- Candida species biofilms.

Physical and optical studies in mixed alkali borate glasses with three types of alkali ions

International Nuclear Information System (INIS)

Samee, M.A.; Awasthi, A.M.; Shripathi, T.; Bale, Shashidhar; Srinivasu, Ch.; Rahman, Syed

2011-01-01

Research highlights: → We report, for the first time, the mixed alkali effect in the (40-x)Li 2 O-xNa 2 O-10K 2 O-50B 2 O 3 glasses through optical properties, density and modulated DSC studies. → Optical band gap (E opt ) and Urbach energy (ΔE) have been evaluated. → The values of E opt and ΔE show non-linear behavior with compositional parameter showing the mixed alkali effect. → The glass stability S is observed to be less which may be important for the present glasses as promising material for non-optical applications. - Abstract: So far only a handful of publications have been concerned with the study of the mixed alkali effect in borate glasses containing three types of alkali ions. In the present work, the mixed alkali effect (MAE) has been investigated in the glass system (40-x)Li 2 O-xNa 2 O-10K 2 O-50B 2 O 3 . (0 ≤ x ≤ 40 mol%) through density and modulated DSC studies. The density and glass transition temperature of the present glasses varies non-linearly exhibiting mixed alkali effect. The glass stability is observed to be less which may be important for the present glasses as promising material for non-optical applications. We report, for the first time, the mixed alkali effect in the present glasses through optical properties. From the absorption edge studies, the values of indirect optical band gap (E opt ), direct optical band gap and Urbach energy (ΔE) have been evaluated. The values of E opt and ΔE show non-linear behavior with compositional parameter showing the mixed alkali effect. The average electronic polarizability of oxide ions α O 2- , optical basicity Λ, and Yamashita-Kurosawa's interaction parameter A have been examined to check the correlations among them and bonding character. Based on good correlation among electronic polarizability of oxide ions, optical basicity and interaction parameter, the present Li 2 O-Na 2 O-K 2 O-B 2 O 3 glasses are classified as normal ionic (basic) oxides.

Influence of surface oxidation on ion dynamics and capacitance in porous and nonporous carbon electrodes

Energy Technology Data Exchange (ETDEWEB)

Dyatkin, Boris [Drexel Univ., Philadelphia, PA (United States); Zhang, Yu [Vanderbilt Univ., Nashville, TN (United States); Mamontov, Eugene [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kolesnikov, Alexander I. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cheng, Yongqiang [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Meyer, III, Harry M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cummings, Peter T. [Vanderbilt Univ., Nashville, TN (United States); Gogotsi, Yury G. [Drexel Univ., Philadelphia, PA (United States)

2016-04-07

Here, we investigate the influence of surface chemistry and ion confinement on capacitance and electrosorption dynamics of room-temperature ionic liquids (RTILs) in supercapacitors. Using air oxidation and vacuum annealing, we produced defunctionalized and oxygen-rich surfaces of carbide-derived carbons (CDCs) and graphene nanoplatelets (GNPs). While oxidized surfaces of porous CDCs improve capacitance and rate handling abilities of ions, defunctionalized nonporous GNPs improve charge storage densities on planar electrodes. Quasi-elastic neutron scattering (QENS) and inelastic neutron scattering (INS) probed the structure, dynamics, and orientation of RTIL ions confined in divergently functionalized pores. Oxidized, ionophilic surfaces draw ions closer to pore surfaces and enhance potential-driven ion transport during electrosorption. Molecular dynamics (MD) simulations corroborated experimental data and demonstrated the significance of surface functional groups on ion orientations, accumulation densities, and capacitance.

Dynamics of an ion chain in a harmonic potential

International Nuclear Information System (INIS)

Morigi, Giovanna; Fishman, Shmuel

2004-01-01

Cold ions in anisotropic harmonic potentials can form ion chains of various sizes. Here, the density of ions is not uniform, and thus the eigenmodes are not phononic-like waves. We study chains of N>>1 ions and evaluate analytically the long-wavelength modes and the density of states in the short-wavelength limit. These results reproduce with good approximation the dynamics of chains consisting of dozens of ions. Moreover, they allow one to determine the critical transverse frequency required for the stability of the linear structure, which is found to be in agreement with results obtained by different theoretical methods [D. H. E. Dubin, Phys. Rev. Lett. 71, 2753 (1993)] and by numerical simulations [J. P. Schiffer, Phys. Rev. Lett. 70, 818 (1993)]. We introduce and explore the thermodynamic limit for the ion chain. The thermodynamic functions are found to exhibit deviations from extensivity

Structure and dynamics of highly charged heavy ions studied with the electron beam ion trap in Tokyo

International Nuclear Information System (INIS)

Nakamura, Nobuyuki; Hu, Zhimin; Watanabe, Hirofumi; Li, Yueming; Kato, Daiji; Currell, Fred J.; Tong Xiaomin; Watanabe, Tsutomu; Ohtani, Shunsuke

2011-01-01

In this paper, we present the structure and the dynamics of highly charged heavy ions studied through dielectronic recombination (DR) observations performed with the Tokyo electron beam ion trap. By measuring the energy dependence of the ion abundance ratio in the trap at equilibrium, we have observed DR processes for open shell systems very clearly. Remarkable relativistic effects due to the generalized Breit interaction have been clearly shown in DR for highly charged heavy ions. We also present the first result for the coincidence measurement of two photons emitted from a single DR event.

Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl-CaCl2) solutions.

Science.gov (United States)

Bourg, Ian C; Sposito, Garrison

2011-08-15

We report new molecular dynamics results elucidating the structure of the electrical double layer (EDL) on smectite surfaces contacting mixed NaCl-CaCl(2) electrolyte solutions in the range of concentrations relevant to pore waters in geologic repositories for CO(2) or high-level radioactive waste (0.34-1.83 mol(c) dm(-3)). Our results confirm the existence of three distinct ion adsorption planes (0-, β-, and d-planes), often assumed in EDL models, but with two important qualifications: (1) the location of the β- and d-planes are independent of ionic strength or ion type and (2) "indifferent electrolyte" ions can occupy all three planes. Charge inversion occurred in the diffuse ion swarm because of the affinity of the clay surface for CaCl(+) ion pairs. Therefore, at concentrations ≥0.34 mol(c) dm(-3), properties arising from long-range electrostatics at interfaces (electrophoresis, electro-osmosis, co-ion exclusion, colloidal aggregation) will not be correctly predicted by most EDL models. Co-ion exclusion, typically neglected by surface speciation models, balanced a large part of the clay mineral structural charge in the more concentrated solutions. Water molecules and ions diffused relatively rapidly even in the first statistical water monolayer, contradicting reports of rigid "ice-like" structures for water on clay mineral surfaces. Published by Elsevier Inc.

CONTRIBUTIONS OF INTRACELLULAR IONS TO Kv CHANNEL VOLTAGE SENSOR DYNAMICS.

Directory of Open Access Journals (Sweden)

Samuel eGoodchild

2012-06-01

Full Text Available Voltage sensing domains of Kv channels control ionic conductance through coupling of the movement of charged residues in the S4 segment to conformational changes at the cytoplasmic region of the pore domain, that allow K+ ions to flow. Conformational transitions within the voltage sensing domain caused by changes in the applied voltage across the membrane field are coupled to the conducting pore region and the gating of ionic conductance. However, several other factors not directly linked to the voltage dependent movement of charged residues within the voltage sensor impact the dynamics of the voltage sensor, such as inactivation, ionic conductance, intracellular ion identity and block of the channel by intracellular ligands. The effect of intracellular ions on voltage sensor dynamics is of importance in the interpretation of gating current measurements and the physiology of pore/voltage sensor coupling. There is a significant amount of variability in the reported kinetics of voltage sensor deactivation kinetics of Kv channels attributed to different mechanisms such as open state stabilization, immobilization and relaxation processes of the voltage sensor. Here we separate these factors and focus on the causal role that intracellular ions can play in allosterically modulating the dynamics of Kv voltage sensor deactivation kinetics. These considerations are of critical importance in understanding the molecular determinants of the complete channel gating cycle from activation to deactivation.

Dynamical limitations to heavy-ion fusion

International Nuclear Information System (INIS)

Back, B.B.

1983-01-01

In spite of the many attempts to synthesize superheavy elements in recent years, these efforts have not yet been successful. Recent improved theoretical models of heavy-ion fusion reactions suggest that the formation of super-heavy elements is hindered by the dynamics of the process. Several recent experiments lend support to these theories. The necessity of an excess radial velocity (extra push) over the Coulomb barrier in order to induce fusion is observed experimentally as predicted by the theory. So is a new reaction mechanism, called quasi-fission which tend to exhaust the part of the reaction cross section, which would otherwise lead to fusion. The present study shows that the angular distribution of fragments from quasi-fission processes are very sensitive to the occurrence of this reaction mechanism. A slight modification of one parameter in the theory demanded by the observation of quasi-fission for lighter projectiles via the angular distributions, has the consequence of posing even more-stringent limitations on heavy-ion-fusion reactions. This reduces even further the possibility for synthesizing and identifying superheavy elements in heavy-ion-fusion reactions

Dynamic plasma screening effects on electron capture process in hydrogenic ion fully stripped ion collisions in dense plasmas

International Nuclear Information System (INIS)

Jung, Y.

1997-01-01

In dense plasmas, dynamic plasma screening effects are investigated on electron capture from hydrogenic ions by past fully stripped ions. The classical Bohr Lindhard model has been applied to obtain the electron capture probability. The interaction potential in dense plasmas is represented in terms of the longitudinal dielectric function. The classical straight-line trajectory approximation is applied to the motion of the projectile ion in order to visualize the electron capture probability as a function of the impact parameter, projectile energy, and plasma parameters. The electron capture probability including the dynamic plasma screening effect is always greater than that including the static plasma screening effect. When the projectile velocity is smaller than the electron thermal velocity, the dynamic polarization screening effect becomes the static plasma screening effect. When the projectile velocity is greater than the plasma electron thermal velocity, the interaction potential is almost unshielded. The difference between the dynamic and static plasma screening effects is more significant for low energy projectiles. It is found that the static screening formula obtained by the Debye Hueckel model overestimates the plasma screening effects on the electron capture processes in dense plasmas. copyright 1997 American Institute of Physics

Effects of bias voltage on the corrosion resistance of titanium nitride thin films fabricated by dynamic plasma immersion ion implantation-deposition

International Nuclear Information System (INIS)

Tian Xiubo; Fu, Ricky K. Y.; Chu, Paul K.

2002-01-01

Dynamic plasma-based thin-film deposition incorporating ion mixing and plasma immersion is an effective technique to synthesize nitride-based hard films. We have fabricated TiN films using a filtered titanium vacuum arc in a nitrogen plasma environment. A pulsed high voltage is applied to the target for a short time when the metallic arc is fired to attain simultaneous plasma deposition and ion mixing. We investigate the dependence of the corrosion resistance and interfacial structure of the treated samples on the applied voltage. Our Auger results reveal an oxygen-rich surface film due to the non-ultra-high-vacuum conditions and high affinity of oxygen to titanium. The corrosion current is reduced by two orders of magnitude comparing the sample processed at 8 kV to the untreated sample, but the 23 kV sample unexpectedly shows worse results. The pitting potential diminishes substantially although the corrosion current is similar to that observed in the 8 kV sample. The polarization test data are consistent with our scanning electron microscopy observation, corroborating the difference in the pitting distribution and appearance. This anomalous behavior is believed to be due to the change in the chemical composition as a result of high-energy ion bombardment

Anode plasma dynamics in an extraction applied-B ion diode: effects on divergence, ion species and parasitic load

International Nuclear Information System (INIS)

Greenly, J.B.; Appartaim, R.K.; Olson, J.C.

1996-01-01

Analysis of data from the LION (1.2 MV, 300 kA, 40 ns) extraction applied-B diode allows a number of inferences regarding the effect of anode plasma dynamics on ion beam divergence, ion species composition, and diode impedance and power coupling. The two dominant features of anode plasma dynamics observed on LION are (1) plasma expansion away from the solid anode surface and into the accelerating gap during the beam pulse, and (2) evolution of the composition of the plasma during the pulse. The data presented in this paper characterize the plasma expansion, and suggest a possible picture of the mechanism of the plasma dynamics that could produce these basic features. (J.U.). 2 figs., 5 refs

Anode plasma dynamics in an extraction applied-B ion diode: effects on divergence, ion species and parasitic load

Energy Technology Data Exchange (ETDEWEB)

Greenly, J B; Appartaim, R K; Olson, J C [Cornell Univ., Ithaca, NY (United States). Lab. of Plasma Studies

1997-12-31

Analysis of data from the LION (1.2 MV, 300 kA, 40 ns) extraction applied-B diode allows a number of inferences regarding the effect of anode plasma dynamics on ion beam divergence, ion species composition, and diode impedance and power coupling. The two dominant features of anode plasma dynamics observed on LION are (1) plasma expansion away from the solid anode surface and into the accelerating gap during the beam pulse, and (2) evolution of the composition of the plasma during the pulse. The data presented in this paper characterize the plasma expansion, and suggest a possible picture of the mechanism of the plasma dynamics that could produce these basic features. (J.U.). 2 figs., 5 refs.

Molecular dynamics studies of the ion beam induced crystallization in silicon

International Nuclear Information System (INIS)

Marques, L.A.; Caturla, M.J.; Huang, H.

1995-01-01

We have studied the ion bombardment induced amorphous-to-crystal transition in silicon using molecular dynamics techniques. The growth of small crystal seeds embedded in the amorphous phase has been monitored for several temperatures in order to get information on the effect of the thermal temperature increase introduced by the incoming ion. The role of ion-induced defects on the growth has been also studied

Transfer-free synthesis of graphene-like atomically thin carbon films on SiC by ion beam mixing technique

Science.gov (United States)

Zhang, Rui; Chen, Fenghua; Wang, Jinbin; Fu, Dejun

2018-03-01

Here we demonstrate the synthesis of graphene directly on SiC substrates at 900 °C using ion beam mixing technique with energetic carbon cluster ions on Ni/SiC structures. The thickness of 7-8 nm Ni films was evaporated on the SiC substrates, followed by C cluster ion bombarding. Carbon cluster ions C4 were bombarded at 16 keV with the dosage of 4 × 1016 atoms/cm2. After thermal annealing process Ni silicides were formed, whereas C atoms either from the decomposition of the SiC substrates or the implanted contributes to the graphene synthesis by segregating and precipitating process. The limited solubility of carbon atoms in silicides, involving SiC, Ni2Si, Ni5Si2, Ni3Si, resulted in diffusion and precipitation of carbon atoms to form graphene on top of Ni and the interface of Ni/SiC. The ion beam mixing technique provides an attractive production method of a transfer-free graphene growth on SiC and be compatible with current device fabrication.

Design and Beam Dynamics Studies of a Multi-Ion Linac Injector for the JLEIC Ion Complex

Energy Technology Data Exchange (ETDEWEB)

Ostroumov, P. N.; Plastun, A. S.; Mustapha, B.; Conway, Z. A.

2016-01-01

The electron-ion collider (JLEIC) being proposed at JLab requires a new ion accelerator complex which includes a linac capable of delivering any ion beam from hydrogen to lead to the booster. We are currently developing a linac which consists of several ion sources, a normal conducting (NC) front end, up to 5 MeV/u, and a SC section for energies > 5 MeV/u. This design work is focused on the beam dynamics and electrodynamics studies performed to design efficient and cost-effective accelerating structures for both the NC and SC sections of the linac. Currently, we are considering two separate RFQs for the heavy-ion and light-ion beams including polarized beams, and different types of NC accelerating structures downstream of the RFQ. Quarter-wave and half-wave resonators can be effectively used in the SC section.

Exploring streamwater mixing dynamics via handheld thermal infrared imagery

NARCIS (Netherlands)

Antonelli, Marta; Klaus, Julian; Smettem, Keith; Teuling, Ryan; Pfister, Laurent

2017-01-01

Stream confluences are important hotspots of aquatic ecological processes. Water mixing dynamics at stream confluences influence physio-chemical characteristics of the stream as well as sediment mobilisation and pollutant dispersal. In this study, we investigated the potential for handheld

Ion association thermodynamics of alkali metal tetraphenylborates in the mixed solvent propylenecarbonate-1,2-dimethoxyethane

International Nuclear Information System (INIS)

Fialkov, Yu.Ya.; Gorbachev, V.Yu.

1997-01-01

Polythermal dependences of constants of ion association of (Li + -Cs + )BPh 4 salts in mixed solvent differ significantly in permittivity. Thermodynamic characteristics of this process are calculated and their relation with solvation processes is analyzed. (author)

Optimizing C4+ and C5+ beams of the Kei2 electron cyclotron resonance ion source using a special gas-mixing technique

International Nuclear Information System (INIS)

Drentje, A.G.; Muramatsu, M.; Kitagawa, A.

2006-01-01

With the prototype electron cyclotron resonance ion source for the next carbon therapy facility in Japan a series of measurements has been performed in order (a) to find the best condition for producing high beam currents of C 4+ ions, and (b) to study the effect of 'special' gas mixing by using a chemical compound as a feed gas. The effect would then appear as an increase in high charge state production in this case of C 5+ ions. In 'regular' gas-mixing experiments it is well known that an isotopic phenomenon occurs: a heavier isotope of the mixing gas is increasing the production of high charge states of the beam gas ions. A similar isotopic effect has been found in the present experiment: with deuterated methane (CD 4 gas) the C 5+ beam currents are about 10% higher than with regular methane (CH 4 gas). The 'mixing-gas' ratio D (or H) to C can be decreased by choosing, e.g., butane gas; in this case the isotopic effect for C 5+ production is even stronger (>15%). For production of C 4+ ions the isotopic effect appears to be absent. Clearly this is related to the much easier production. It turns out that the relative amount of carbon is much more important: butane gives about 10% higher C 4+ -ion currents than methane

The effects of LiBOB additive for stable SEI formation of PP13TFSI-organic mixed electrolyte in lithium ion batteries

International Nuclear Information System (INIS)

An Yongxin; Zuo Pengjian; Cheng Xinqun; Liao Lixia; Yin Geping

2011-01-01

Highlights: → LiBOB as the additive of SEI formation. → LiBOB containing mixed electrolyte shows well thermal stability and safety. → LiBOB improves the electrochemical performance of PP13TFSI-organic mixture. - Abstract: A safe electrolyte system is prepared from N-methyl-N-propylpiperidinium bis (trifluoromethanesulfonyl) imide (PP13TFSI), organic electrolyte (1 mol L -1 LiPF 6 /EC-DEC) and lithium bis (oxalato) borate (LiBOB). The additive of LiBOB enhances the stability of interface between electrolyte and anode. The LiBOB-containing mixed electrolytes show non-flammability and good compatibility with active materials. The performance of anode for lithium ion battery is successfully improved by LiBOB-containing mixed electrolytes, which shows 200 mA h g -1 reversible capacities at 0.3 C rate. The ionic conductivity and the lithium ion transference number in LiBOB-containing mixed electrolytes system also suits to application for lithium ion battery.

Kinetic modeling of particle dynamics in H− negative ion sources (invited)

International Nuclear Information System (INIS)

Hatayama, A.; Shibata, T.; Nishioka, S.; Ohta, M.; Yasumoto, M.; Nishida, K.; Yamamoto, T.; Miyamoto, K.; Fukano, A.; Mizuno, T.

2014-01-01

Progress in the kinetic modeling of particle dynamics in H − negative ion source plasmas and their comparisons with experiments are reviewed, and discussed with some new results. Main focus is placed on the following two topics, which are important for the research and development of large negative ion sources and high power H − ion beams: (i) Effects of non-equilibrium features of EEDF (electron energy distribution function) on H − production, and (ii) extraction physics of H − ions and beam optics

Mode coupling theory analysis of electrolyte solutions: Time dependent diffusion, intermediate scattering function, and ion solvation dynamics.

Science.gov (United States)

Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman

2015-03-28

A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair correlation functions is developed to analyze electrolyte dynamics. We apply the theory to calculate concentration dependence of (i) time dependent ion diffusion, (ii) intermediate scattering function of the constituent ions, and (iii) ion solvation dynamics in electrolyte solution. Brownian dynamics with implicit water molecules and molecular dynamics method with explicit water are used to check the theoretical predictions. The time dependence of ionic self-diffusion coefficient and the corresponding intermediate scattering function evaluated from our MCT approach show quantitative agreement with early experimental and present Brownian dynamic simulation results. With increasing concentration, the dispersion of electrolyte friction is found to occur at increasingly higher frequency, due to the faster relaxation of the ion atmosphere. The wave number dependence of intermediate scattering function, F(k, t), exhibits markedly different relaxation dynamics at different length scales. At small wave numbers, we find the emergence of a step-like relaxation, indicating the presence of both fast and slow time scales in the system. Such behavior allows an intriguing analogy with temperature dependent relaxation dynamics of supercooled liquids. We find that solvation dynamics of a tagged ion exhibits a power law decay at long times-the decay can also be fitted to a stretched exponential form. The emergence of the power law in solvation dynamics has been tested by carrying out long Brownian dynamics simulations with varying ionic concentrations. The solvation time correlation and ion-ion intermediate scattering function indeed exhibit highly interesting, non-trivial dynamical behavior at intermediate to longer times that require further experimental and theoretical studies.

Study of the interaction of potassium ion channel protein with micelle by molecular dynamics simulation

Science.gov (United States)

Shantappa, Anil; Talukdar, Keka

2018-04-01

Ion channels are proteins forming pore inside the body of all living organisms. This potassium ion channel known as KcsA channel and it is found in the each cell and nervous system. Flow of various ions is regulated by the function of the ion channels. The nerve ion channel protein with protein data bank entry 1BL8, which is basically an ion channel protein in Streptomyces Lividans and which is taken up to form micelle-protein system and the system is analyzed by using molecular dynamics simulation. Firstly, ion channel pore is engineered by CHARMM potential and then Micelle-protein system is subjected to molecular dynamics simulation. For some specific micelle concentration, the protein unfolding is observed.

Interactions of heavy ions with biomolecules: a dynamical microscopic approach

International Nuclear Information System (INIS)

Zhang Fengshou; Beijing Radiation Center, Beijing; National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou

2006-01-01

The status of studying biology system therapy with X-rays, γ-rays, neutron, proton, and heavy ions is reviewed. The depth dose profile, called Bragg profile, makes heavy ion an ideal tool for radiotherapy. The physical process of therapy with heavy ions is analyzed and a 3-step interaction processes of heavy ions with biomolecules is proposed, that is, nuclear fragmentation in nuclear interaction, electron excitation in Coulomb interaction, and the biomolecules relaxation in surroundings, finally leads to a new structure of biomolecule. Since this physical process is the base of the following chemical process and biological process, a dynamical microscopic approach is strongly demanded to be built. (authors)

Nonequilibrium dynamics of a mixed spin-1/2 and spin-3/2 Ising ferrimagnetic system with a time dependent oscillating magnetic field source

Energy Technology Data Exchange (ETDEWEB)

Vatansever, Erol [Dokuz Eylül University, Graduate School of Natural and Applied Sciences, TR-35160 Izmir (Turkey); Polat, Hamza, E-mail: hamza.polat@deu.edu.tr [Department of Physics, Dokuz Eylül University, TR-35160 Izmir (Turkey)

2015-10-15

Nonequilibrium phase transition properties of a mixed Ising ferrimagnetic model consisting of spin-1/2 and spin-3/2 on a square lattice under the existence of a time dependent oscillating magnetic field have been investigated by making use of Monte Carlo simulations with a single-spin flip Metropolis algorithm. A complete picture of dynamic phase boundary and magnetization profiles have been illustrated and the conditions of a dynamic compensation behavior have been discussed in detail. According to our simulation results, the considered system does not point out a dynamic compensation behavior, when it only includes the nearest-neighbor interaction, single-ion anisotropy and an oscillating magnetic field source. As the next-nearest-neighbor interaction between the spins-1/2 takes into account and exceeds a characteristic value which sensitively depends upon values of single-ion anisotropy and only of amplitude of external magnetic field, a dynamic compensation behavior occurs in the system. Finally, it is reported that it has not been found any evidence of dynamically first-order phase transition between dynamically ordered and disordered phases, which conflicts with the recently published molecular field investigation, for a wide range of selected system parameters. - Highlights: • Spin-1/2 and spin-3/2 Ising ferrimagnetic model is examined. • The system is exposed to time-dependent magnetic field. • Kinetic Monte Carlo simulation technique is used. • Any evidence of first-order phase transition has not been found.

Solvation of ions in the gas-phase: a molecular dynamics simulation

Science.gov (United States)

Cabarcos, Orlando M.; Lisy, James M.

1996-07-01

Molecular dynamics simulations have been performed on the collision between a cesium ion and a cluster of twenty methanol molecules. This process, generating a solvated ion, was studied over a range (1 to 25 eV) of eight collision energies. Preliminary analysis of this gas phase solvation has included the distribution of final ion cluster sizes, fragmentation patterns, solvation timescales and energetics. Two distinct patterns have emerged: a ballistic penetration of the neutral cluster at the higher collision energies and an evaporative evolution of the cluster ion at lower collision energies.

Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

Energy Technology Data Exchange (ETDEWEB)

Bradforth, S.E.

1992-11-01

The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound [yields] bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN[sup [minus

Dynamical Casimir effect on a cavity with mixed boundary conditions

International Nuclear Information System (INIS)

Alves, Danilo T.; Farina, Carlos; Maia Neto, Paulo Americo

2002-01-01

The most well-known mechanical effect related to the quantum vacuum is the Casimir force between two mirrors at rest. A new effect appears when the mirrors are set to move. In this case, the vacuum field may exert a dissipative force, damping the motion. As a consequence of energy conservation, there will be creation of real particles. If the motion is non-relativistic and has a small amplitude, the dynamical Casimir force can be found via a perturbative method proposed by Ford and Vilenkin. Using their technique, the electromagnetic dynamical Casimir problem, considered when the oscillating cavity is formed by two parallel plates of the same nature (perfectly conducting or perfectly permeable), can be divided into two separated boundary condition problems, namely: one involving Dirichlet BC, related to the transverse electric polarization and the other involving a Neumann BC, related to the transverse magnetic mode. The case of conducting plates can be found in the literature. However, another interesting case, the mixed oscillating cavity where the plates are of different nature, namely, a perfectly conducting plate and a perfectly permeable one (Boyer plates), has not been studied yet. We show that,for this case, the transverse electric models will be related to mixed boundary conditions: Dirichlet-like BC at the conducting plate and Neumann-like BC at the permeable plate. Analogously, the magnetic modes are related to a Neumann BC at the conducting plate and to a Dirichlet BC at the permeable one. As a first step before attacking the three-dimensional electromagnetic problem with mixed BC, we present here a simpler model: a one-dimensional cavity, where a massless scalar field is submitted to mixed (Dirichlet-Neumann) BC. For simplicity, we consider a non-relativistic motion for the conducting wall (Dirichlet BC) and suppose that the perfectly permeable wall (Neumann BC) is at rest. From this model we can extract insights about the dynamical Casimir

Ninth international conference on ion beam modification of materials. Book of abstracts

International Nuclear Information System (INIS)

1995-01-01

The conference focused on new developments and current status in the use of ion beams for modification of materials including: fundamental ion beam research and secondary effects of ion beams; materials modifications and techniques; biomedical and industrial applications; low energy processes; point defects and damage, nanocrystals in insulators, plasma immersion ion implantation, molecular dynamics simulations of ion-surface interactions, ion-beam mixing of insulators, GeV ion irradiation, electro-optical materials, polymers, tribological materials, and semiconductor processing. The handbook contains the workshop's program, abstracts and an author index. Separate abstracts were prepared for all papers in this volume

Ninth international conference on ion beam modification of materials. Book of abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-12-31

The conference focused on new developments and current status in the use of ion beams for modification of materials including: fundamental ion beam research and secondary effects of ion beams; materials modifications and techniques; biomedical and industrial applications; low energy processes; point defects and damage, nanocrystals in insulators, plasma immersion ion implantation, molecular dynamics simulations of ion-surface interactions, ion-beam mixing of insulators, GeV ion irradiation, electro-optical materials, polymers, tribological materials, and semiconductor processing. The handbook contains the workshop`s program, abstracts and an author index. Separate abstracts were prepared for all papers in this volume.

Suppression of chaos at slow variables by rapidly mixing fast dynamics

Science.gov (United States)

Abramov, R.

2012-04-01

One of the key questions about chaotic multiscale systems is how the fast dynamics affects chaos at the slow variables, and, therefore, impacts uncertainty and predictability of the slow dynamics. Here we demonstrate that the linear slow-fast coupling with the total energy conservation property promotes the suppression of chaos at the slow variables through the rapid mixing at the fast variables, both theoretically and through numerical simulations. A suitable mathematical framework is developed, connecting the slow dynamics on the tangent subspaces to the infinite-time linear response of the mean state to a constant external forcing at the fast variables. Additionally, it is shown that the uncoupled dynamics for the slow variables may remain chaotic while the complete multiscale system loses chaos and becomes completely predictable at the slow variables through increasing chaos and turbulence at the fast variables. This result contradicts the common sense intuition, where, naturally, one would think that coupling a slow weakly chaotic system with another much faster and much stronger mixing system would result in general increase of chaos at the slow variables.

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

DEFF Research Database (Denmark)

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

2006-01-01

Here we present the first measurements by collective Thomson scattering of the evolution of fast-ion populations in a magnetically confined fusion plasma. 150 kW and 110 Ghz radiation from a gyrotron were scattered in the TEXTOR tokamak plasma with energetic ions generated by neutral beam injection...... and ion cyclotron resonance heating. The temporal behavior of the spatially resolved fast-ion velocity distribution is inferred from the received scattered radiation. The fast-ion dynamics at sawteeth and the slowdown after switch off of auxiliary heating is resolved in time. The latter is shown...

Studies on rapid ion-exchange separation of the transplutonium elements with mineral acid-methanol mixed media

International Nuclear Information System (INIS)

Usuda, Shigekazu

1989-03-01

In order to study properties of short-lived transplutonium nuclides synthesized by heavy-ion bombardment, three methods for rapid separation of tri-valent transplutonium elements by ion-exchange chromatography with mineral acid-methanol mixed media at elevated temperature were investigated. The first separation method was anion-exchange chromatography with nitric acid-methanol mixed media. The second method was anion-exchange choromatography with dilute hydrochloric acid-methanol mixed media. The third method was improved cation-exchange chromatography with single-column operation using the mixed media of hydrochloric acid and methanol. The separation methods developed were found applicable to studies on synthesis of the trans-plutonium nuclides, 250 Fm (T 1/2 :30 min), 244,245,246 Cf (T 1/2 :20 min, 46 min and 35.7 h, respectively) from the 16 O + 238 U and 12 C + 242 Pu reactions, and on the decay property of 245 Cf. Attempts to search for new actinide nuclides, such as 240 U and neutron deficient nuclides of Am, Cm and Bk, were made by a quick purification. The separation system was also applied to the rapid and effective separation of Nd, Am and Cm from spent nuclear fuel samples, for burn-up determination. (J.P.N.) 242 refs

Structural influence of mixed transition metal ions on lithium bismuth borate glasses

Science.gov (United States)

Yadav, Arti; Dahiya, Manjeet S.; Hooda, A.; Chand, Prem; Khasa, S.

2017-08-01

Lithium bismuth borate glasses containing mixed transition metals having composition 7CoO·23Li2O·20Bi2O3·50B2O3 (CLBB), 7V2O5·23Li2O·20Bi2O3·50B2O3 (VLBB) and x(2CoO·V2O5)·(30 - x)Li2O·20Bi2O3·50B2O3 (x = 0.0 (LBB) and x = 2.0, 5.0, 7.0, 10.0 mol% (CVLBB1-4)) are synthesized via melt quench route. The synthesized compositions are investigated for their physical properties using density (D) and molar volume (Vm), thermal properties by analyzing DSC/TG thermo-graphs, structural properties using IR absorption spectra in the mid-IR range and optical properties using UV-Vis-NIR spectroscopy. The Electron Paramagnetic Resonance (EPR) spectra of vanadyl and cobalt ion have been analyzed to study compositional effects on spin-Hamiltonian parameters. The non linear variations in physical properties depict a strong structural influence of Co/V- oxides on the glassy matrix. The compositional variations in characteristic temperatures (glass transition temperature Tg, glass crystallization temperature Tp and glass melting temperature Tm) reveals that Tg for glass samples CLBB is relatively less than that of pure lithium bismuth borate (LBB) glass sample wherein Tg for sample VLBB is higher than that of LBB. The increase in Tg (as compared with LBB) with an enhanced substitution of mixed transition metal oxides (2CoO·V2O5) shows a progressive structure modification of bismuth borate matrix. These predictions are very well corroborated by corresponding compositional trends of Tp and Tm. FTIR studies reveal that Co2+& VO2+ ions lead to structural rearrangements through the conversion of three-coordinated boron into four coordinated boron and thereby reducing number of non-bridging oxygen atoms. Bismuth is found to exist in [BiO6] octahedral units only, whereas boroxol rings are not present in the glass network. The theoretical values of optical basicity (Λth) and corresponding oxide ion polarizability (αo2-) have also been calculated to investigate oxygen covalency of

Ion leakage from mixed beds in condensate polishing plants

International Nuclear Information System (INIS)

Venderbosch, H.W.; Overman, L.J.; Snel, A.

1977-01-01

In view to the interest for theoretical and practical factors, which influence the ion slip of mixed bed filters, these facts were studied in detail. It proved to be necessary that the slip shall be subdivided into kinetic - and elution slip. The kinetic slip is depending e.g. on the electrolyte concentration of the influenct condensate, as well as on the period of contact, however it does not depend on the regeneration condition; the elution slip however depends clearly on the regeneration condition. Incomplete regeneration of the exchangers, a too low excess of regenerant, incomplete separation of cation - and anion exchanger, and the contact of an exchanger layer with the wrong regenerant in the separation zone, during the internal regeneration are raising the slip. With tests on mixed bed filters, which have been well regenerated, (less than 0.1% Na in the cation exchanger) and by using filters with normal regenerated exchangers, (approx. 10% Na in the cation exchanger) the quality of the effluent was compared with values, which were expected from calculations. In order to decrease the elution leakage, the contamination of the exchangers, especially at NH 4 OH - mixed bed filters, must be limited to a very low percentage. Several possibilities to obtain this, will be discussed in the lecture. Special attention will be paid to the internal regeneration procedure. KEMA has developed a method, the so-called partial regeneration method, in order to operate internal regenerated mixed bed filters, which have been designed for the HOH cycle, also in the ammonia form, without the occurence of an undue slip of sodium or chloride. Not only extended running periods and lower operating- and regeneration costs are of advantage, but also the reducing of salt- and ammonia containing sewage were achieved. (orig.) [de

Collisionally induced stochastic dynamics of fast ions in solids

International Nuclear Information System (INIS)

Burgdoerfer, J.

1989-01-01

Recent developments in the theory of excited state formation in collisions of fast highly charged ions with solids are reviewed. We discuss a classical transport theory employing Monte-Carlo sampling of solutions of a microscopic Langevin equation. Dynamical screening by the dielectric medium as well as multiple collisions are incorporated through the drift and stochastic forces in the Langevin equation. The close relationship between the extrinsically stochastic dynamics described by the Langevin and the intrinsic stochasticity in chaotic nonlinear dynamical systems is stressed. Comparison with experimental data and possible modification by quantum corrections are discussed. 49 refs., 11 figs

A Study of Ion-Ion Hybrid Instability in the Mixed Plasma

Directory of Open Access Journals (Sweden)

Soo-Yong Kim

1987-12-01

Full Text Available There are more oxygen ions than hydrogen ions in the auroral field zone. We consider both analytic and numerical simulation study of the heating of hydrogen and oxygen ions by auroral electrons. With the low drift speed of electron beams, the ion-ion hybrid wave becomes unstable instead of the lower hybrid wave so that a preferential heating of oxygen ions occurs.

Dynamic sheath studies in plasma source ion implantation

International Nuclear Information System (INIS)

Schever, J.T.; Shamim, M.; Conrad, J.R.

1990-01-01

Plasma Source Ion Implantation (PSII) is a non-line-of-sight method for materials processing in which a target is immersed in a plasma and pulse biased to a high negative voltage (∼ 50 kV). A model of the dynamic sheath which forms under these conditions has been developed and applied to planar, cylindrical and spherical geometries. This model assumes that the transient sheath obeys the Child-Langmuir law for space charge limited emission at each instant during the propagation. Ions uncovered by the propagating sheath edge supply the space charge limited current. This yields an equation relating sheath edge velocity to position, which can be integrated to obtain the sheath edge position as a function of time. The same procedure used in cylindrical and spherical geometry results in a similar equation which must be integrated numerically. Comparison of results of experimental measurements, our model and simulation will be presented for the dynamic sheath edge position and target current waveform. Measurements of implanted dose uniformity of wedge shaped targets are also presented

Sputtering and mixing of supported nanoparticles

International Nuclear Information System (INIS)

Jiménez-Sáez, J.C.; Pérez-Martín, A.M.C.; Jiménez-Rodríguez, J.J.

2013-01-01

Sputtering and mixing of Co nanoparticles supported in Cu(0 0 1) under 1-keV argon bombardment are studied using molecular-dynamics simulations. Particles of different initial size have been considered. The cluster height decreases exponentially with increasing fluence. In nanoparticles, sputtering yield is significantly enhanced compared to bulk. In fact, the value of this magnitude depends on the cluster height. A theoretical model for sputtering is introduced with acceptable results compared to those obtained by simulation. Discrepancies happen mainly for very small particles. Mixing rate at the interface is quantified; and besides, the influence of border effects for clusters of different initial size is assessed. Mixing rate and border length–surface area ratio for the initial interface show a proportionality relation. The phenomenon of ion-induced burrowing of metallic nanoparticles is analysed

A study of trapped ion dynamics by photon-correlation and pulse-probe techniques

International Nuclear Information System (INIS)

Rink, J.; Dholakia, K.; Zs, G.; Horvath, K.; Hernandez-Pozos, J. L.; Power, W.; Segal, D. M.; Thompson, R. C.; Walker, T.

1995-01-01

We demonstrate non-evasive methods for observing ion and ion cloud oscillation frequencies in a quadrupole ion trap. These trap resonances are measured for small clouds using a photon correlation technique. For large clouds the rotation frequency can be detected with the help of an additional pulsed probe laser. We show applications of the photon correlation method such as estimating the dynamic properties of a combined trap and detecting ion crystals

Transient dynamics in cavity electromagnetically induced transparency with ion Coulomb crystals

Science.gov (United States)

Albert, Magnus; Dantan, Aurélien; Drewsen, Michael

2018-03-01

We experimentally investigate the transient dynamics of an optical cavity field interacting with large ion Coulomb crystals in a situation of electromagnetically induced transparency (EIT). EIT is achieved by injecting a probe field at the single photon level and a more intense control field with opposite circular polarization into the same mode of an optical cavity to couple Zeeman substates of a metastable level in ? ions. The EIT interaction dynamics are investigated both in the frequency-domain - by measuring the probe field steady state reflectivity spectrum - and in the time-domain - by measuring the progressive buildup of transparency. The experimental results are observed to be in excellent agreement with theoretical predictions taking into account the inhomogeneity of the control field in the interaction volume, and confirm the high degree of control on light-matter interaction that can be achieved with ion Coulomb crystals in optical cavities.

Creation and dynamical co-evolution of electron and ion channel transport barriers

International Nuclear Information System (INIS)

Newman, D.E.

2002-01-01

A wide variety of magnetic confinement devices have found transitions to an enhanced confinement regime. Simple dynamical models have been able to capture much of the dynamics of these barriers however an open question has been the disconnected nature of the electron thermal transport channel sometimes observed in the presence of a standard ('ion channel' barrier. By adding to simple barrier model an evolution equation for electron fluctuations we can investigate the interaction between the formation of the standard ion channel barrier and the somewhat less common electron channel barrier. Barrier formation in the electron channel is even more sensitive to the alignment of the various gradients making up the sheared radial electric field than the ion barrier is. Electron channel heat transport is found to significantly increase after the formation of the ion channel barrier but before the electron channel barrier is formed. This increased transport is important in the barrier evolution. (author)

Statistical estimate of factors influence on sorption of Mo(Ⅵ) ions by tin hydroxide in dynamic conditions

International Nuclear Information System (INIS)

Parshutkin, V.V.; Granovskiy, Yu.V.; Prozorovskaya, Z.N.

1986-01-01

Present work is devoted to statistical estimate of factors influence on sorption of Mo(Ⅵ) ions by tin hydroxide in dynamic conditions. The influence of different factors on the process of sorption of Co(Ⅵ) ions by cryo-granular tin hydroxide in dynamic conditions is studied and optimal conditions of their extraction from aqueous solutions are considered. It is defined that factors significant affect the sorption process in dynamic conditions are: concentration of Mo(Ⅵ) ions in solution; the mass of sorbent; the rate of transmission of solution through the layer of sorbent; concentration of SO 4 2- ions in solution.

The Crossed-Beam Scattering Method in Studies of Ion-Molecule Reaction Dynamics

Czech Academy of Sciences Publication Activity Database

Herman, Zdeněk

2001-01-01

Roč. 212, - (2001), s. 413-443 ISSN 1387-3806 R&D Projects: GA ČR GA203/00/0632 Institutional research plan: CEZ:AV0Z4040901 Keywords : ion-molecule reaction dynamics * ion scattering * experimental methods Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.176, year: 2001

Dynamic Stability Analysis of Autonomous Medium-Voltage Mixed-Source Microgrid

DEFF Research Database (Denmark)

Zhao, Zhuoli; Yang, Ping; Guerrero, Josep M.

2015-01-01

-space model of the autonomous MV mixed-source microgrid containing diesel generator set (DGS), grid-supporting battery energy storage system (BESS), squirrel cage induction generator (SCIG) wind turbine and network is developed. Sensitivity analysis is carried out to reveal the dynamic stability margin...

Dynamic filtration and static adsorption of lead ions in aqueous solution by use of blended polysulfone membranes with nano size MCM-41 particles coated by polyaniline.

Science.gov (United States)

Toosi, Mohammad Reza; Emami, Mohammad Reza Sarmasti; Hajian, Sudeh

2018-05-11

MCM-41 mesopore was prepared by hydrothermal method and used for synthesis of polyaniline/MCM-41 nanocomposite via in situ polymerization. The nanocomposite was blended with polysulfone to prepare mixed matrix membrane in different content of nanocomposite by phase inversion method. Structural and surface properties of the samples were characterized by SEM, XRD, FTIR, AFM, TGA, BET, and zeta potential measurements. Effect of the nanocomposite content on the hydrophilicity, porosity, and permeability of the membrane was determined. Membrane performance was evaluated for removal of lead ions in dynamic filtration and static adsorption. The membranes were found as effective adsorptive filters for removal of lead ions via interactions between active sites of nanocomposite in membrane structure and lead ions during filtration. Results of batch experiments proved adsorptive mechanism of membranes for removal of lead ions with the maximum adsorption capacity of 19.6 mg/g.

Dynamics from seconds to hours in Hodgkin-Huxley model with time-dependent ion concentrations and buffer reservoirs.

Directory of Open Access Journals (Sweden)

Niklas Hübel

2014-12-01

Full Text Available The classical Hodgkin-Huxley (HH model neglects the time-dependence of ion concentrations in spiking dynamics. The dynamics is therefore limited to a time scale of milliseconds, which is determined by the membrane capacitance multiplied by the resistance of the ion channels, and by the gating time constants. We study slow dynamics in an extended HH framework that includes time-dependent ion concentrations, pumps, and buffers. Fluxes across the neuronal membrane change intra- and extracellular ion concentrations, whereby the latter can also change through contact to reservoirs in the surroundings. Ion gain and loss of the system is identified as a bifurcation parameter whose essential importance was not realized in earlier studies. Our systematic study of the bifurcation structure and thus the phase space structure helps to understand activation and inhibition of a new excitability in ion homeostasis which emerges in such extended models. Also modulatory mechanisms that regulate the spiking rate can be explained by bifurcations. The dynamics on three distinct slow times scales is determined by the cell volume-to-surface-area ratio and the membrane permeability (seconds, the buffer time constants (tens of seconds, and the slower backward buffering (minutes to hours. The modulatory dynamics and the newly emerging excitable dynamics corresponds to pathological conditions observed in epileptiform burst activity, and spreading depression in migraine aura and stroke, respectively.

Dynamics from seconds to hours in Hodgkin-Huxley model with time-dependent ion concentrations and buffer reservoirs.

Science.gov (United States)

Hübel, Niklas; Dahlem, Markus A

2014-12-01

The classical Hodgkin-Huxley (HH) model neglects the time-dependence of ion concentrations in spiking dynamics. The dynamics is therefore limited to a time scale of milliseconds, which is determined by the membrane capacitance multiplied by the resistance of the ion channels, and by the gating time constants. We study slow dynamics in an extended HH framework that includes time-dependent ion concentrations, pumps, and buffers. Fluxes across the neuronal membrane change intra- and extracellular ion concentrations, whereby the latter can also change through contact to reservoirs in the surroundings. Ion gain and loss of the system is identified as a bifurcation parameter whose essential importance was not realized in earlier studies. Our systematic study of the bifurcation structure and thus the phase space structure helps to understand activation and inhibition of a new excitability in ion homeostasis which emerges in such extended models. Also modulatory mechanisms that regulate the spiking rate can be explained by bifurcations. The dynamics on three distinct slow times scales is determined by the cell volume-to-surface-area ratio and the membrane permeability (seconds), the buffer time constants (tens of seconds), and the slower backward buffering (minutes to hours). The modulatory dynamics and the newly emerging excitable dynamics corresponds to pathological conditions observed in epileptiform burst activity, and spreading depression in migraine aura and stroke, respectively.

Measuring radiation damage dynamics by pulsed ion beam irradiation: 2016 project annual report

Energy Technology Data Exchange (ETDEWEB)

Kucheyev, Sergei O. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-01-04

The major goal of this project is to develop and demonstrate a novel experimental approach to access the dynamic regime of radiation damage formation in nuclear materials. In particular, the project exploits a pulsed-ion-beam method in order to gain insight into defect interaction dynamics by measuring effective defect interaction time constants and defect diffusion lengths. For Year 3, this project had the following two major milestones: (i) the demonstration of the measurement of thermally activated defect-interaction processes by pulsed ion beam techniques and (ii) the demonstration of alternative characterization techniques to study defect dynamics. As we describe below, both of these milestones have been met.

Multiaperture ion beam extraction from gas-dynamic electron cyclotron resonance source of multicharged ions

International Nuclear Information System (INIS)

Sidorov, A.; Dorf, M.; Zorin, V.; Bokhanov, A.; Izotov, I.; Razin, S.; Skalyga, V.; Rossbach, J.; Spaedtke, P.; Balabaev, A.

2008-01-01

Electron cyclotron resonance ion source with quasi-gas-dynamic regime of plasma confinement (ReGIS), constructed at the Institute of Applied Physics, Russia, provides opportunities for extracting intense and high-brightness multicharged ion beams. Despite the short plasma lifetime in a magnetic trap of a ReGIS, the degree of multiple ionization may be significantly enhanced by the increase in power and frequency of the applied microwave radiation. The present work is focused on studying the intense beam quality of this source by the pepper-pot method. A single beamlet emittance measured by the pepper-pot method was found to be ∼70 π mm mrad, and the total extracted beam current obtained at 14 kV extraction voltage was ∼25 mA. The results of the numerical simulations of ion beam extraction are found to be in good agreement with experimental data

Dynamics of ions in the selectivity filter of the KcsA channel: Towards a coupled Brownian particle description

OpenAIRE

Cosseddu, Salvatore M.; Khovanov, Igor A.; Allen, Michael P.; Rodger, P. M.; Luchinsky, Dmitry G.; McClintock, Peter V. E.

2013-01-01

The statistical and dynamical properties of ions in the selectivity filter of the KcsA ion channel are considered on the basis of molecular dynamics (MD) simulations of the KcsA protein embedded in a lipid membrane surrounded by an ionic solution. A new approach to the derivation of a Brownian dynamics (BD) model of ion permeation through the filter is discussed, based on unbiased MD simulations. It is shown that depending on additional assumptions, ion’s dynamics can be described either by u...

Solid-state reaction in Fe/V multilayers by ion beam mixing with thermal annealing

International Nuclear Information System (INIS)

Borges, J.F.M.; Costa, M.I. da Jr.; Teixeira, S.R.; Cunha, J.B.M. da; Alves, M.C.M.

2001-01-01

We report a study on the structural and magnetic properties of iron-vanadium thin films, originally grown in multilayer form [Fe(20 A)/V(20 A)] 20 , and mixed by ion beam mixing (IBM) and a subsequent thermal treatment. The samples were structurally characterised by X-ray diffraction (XRD) in the θ-2θ geometry and X-ray absorption spectroscopy (XAS). The magnetic characterisation was made using conversion electron Moessbauer spectroscopy (CEMS). The XRD result for the as-deposited multilayer shows a high-degree crystallinity, while CEMS suggests abrupt interface, since no significant contribution from vanadium in iron is observed. After the IBM and thermal treatment, the results from XRD show an FeV solid solution indexed as a bcc-disordered structure (α phase). XAS structural results are consistent with the XRD observations. CEMS results show a magnetic moment reduction for mixed samples

Modeling non-adiabatic photoexcited reaction dynamics in condensed phases

International Nuclear Information System (INIS)

Coker, D.F.

2003-01-01

Reactions of photoexcited molecules, ions, and radicals in condensed phase environments involve non-adiabatic dynamics over coupled electronic surfaces. We focus on how local environmental symmetries can effect non-adiabatic coupling between excited electronic states and thus influence, in a possibly controllable way, the outcome of photo-excited reactions. Semi-classical and mixed quantum-classical non-adiabatic molecular dynamics methods, together with semi-empirical excited state potentials are used to probe the dynamical mixing of electronic states in different environments from molecular clusters, to simple liquids and solids, and photo-excited reactions in complex reaction environments such as zeolites

Study on system dynamics of evolutionary mix-game models

Science.gov (United States)

Gou, Chengling; Guo, Xiaoqian; Chen, Fang

2008-11-01

Mix-game model is ameliorated from an agent-based MG model, which is used to simulate the real financial market. Different from MG, there are two groups of agents in Mix-game: Group 1 plays a majority game and Group 2 plays a minority game. These two groups of agents have different bounded abilities to deal with historical information and to count their own performance. In this paper, we modify Mix-game model by assigning the evolution abilities to agents: if the winning rates of agents are smaller than a threshold, they will copy the best strategies the other agent has; and agents will repeat such evolution at certain time intervals. Through simulations this paper finds: (1) the average winning rates of agents in Group 1 and the mean volatilities increase with the increases of the thresholds of Group 1; (2) the average winning rates of both groups decrease but the mean volatilities of system increase with the increase of the thresholds of Group 2; (3) the thresholds of Group 2 have greater impact on system dynamics than the thresholds of Group 1; (4) the characteristics of system dynamics under different time intervals of strategy change are similar to each other qualitatively, but they are different quantitatively; (5) As the time interval of strategy change increases from 1 to 20, the system behaves more and more stable and the performances of agents in both groups become better also.

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

Energy Technology Data Exchange (ETDEWEB)

Wallace, J. B.; Aji, L. B. Bayu; Martin, A. A.; Shin, S. J.; Shao, L.; Kucheyev, S. O.

2017-01-06

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV and 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.

Three-stage classical molecular dynamics model for simulation of heavy-ion fusion

Directory of Open Access Journals (Sweden)

Godre Subodh S.

2015-01-01

Full Text Available A three-stage Classical Molecular Dynamics (3S-CMD approach for heavy-ion fusion is developed. In this approach the Classical Rigid-Body Dynamics simulation for heavy-ion collision involving light deformed nucleus is initiated on their Rutherford trajectories at very large initial separation. Collision simulation is then followed by relaxation of the rigid-body constrains for one or both the colliding nuclei at distances close to the barrier when the trajectories of all the nucleons are obtained in a Classical Molecular Dynamics approach. This 3S-CMD approach explicitly takes into account not only the long range Coulomb reorientation of the deformed collision partner but also the internal vibrational excitations of one or both the nuclei at distances close to the barrier. The results of the dynamical simulation for 24Mg+208Pb collision show significant modification of the fusion barrier and calculated fusion cross sections due to internal excitations.

Coupled acoustic-gravity field for dynamic evaluation of ion exchange with a single resin bead.

Science.gov (United States)

Kanazaki, Takahiro; Hirawa, Shungo; Harada, Makoto; Okada, Tetsuo

2010-06-01

A coupled acoustic-gravity field is efficient for entrapping a particle at the position determined by its acoustic properties rather than its size. This field has been applied to the dynamic observation of ion-exchange reactions occurring in a single resin bead. The replacement of counterions in an ion-exchange resin induces changes in its acoustic properties, such as density and compressibility. Therefore, we can visually trace the advancement of an ion-exchange reaction as a time change in the levitation position of a resin bead entrapped in the field. Cation-exchange reactions occurring in resin beads with diameters of 40-120 microm are typically completed within 100-200 s. Ion-exchange equilibrium or kinetics is often evaluated with off-line chemical analyses, which require a batch amount of ion exchangers. Measurements with a single resin particle allow us to evaluate ion-exchange dynamics and kinetics of ions including those that are difficult to measure by usual off-line analyses. The diffusion properties of ions in resins have been successfully evaluated from the time change in the levitation positions of resin beads.

From Brownian Dynamics to Markov Chain: An Ion Channel Example

KAUST Repository

Chen, Wan; Erban, Radek; Chapman, S. Jonathan

2014-01-01

is illustrated with a two-ion one-well channel. The stationary probability of states is compared with that from both Brownian dynamics simulation and the hierarchical Fokker-Planck equations. The conductivity of the channel is also studied, and the optimal

Doppler coherence imaging of ion dynamics in VINETA.II and ASDEX-upgrade

Energy Technology Data Exchange (ETDEWEB)

Gradic, Dorothea; Ford, Oliver; Wolf, Robert [Max-Planck-Institut fuer Plasmaphysik, Greifswald (Germany); Lunt, Tilmann [Max-Planck-Institut fuer Plasmaphysik, Garching (Germany)

2016-07-01

In magnetically confining plasma experiments, diagnosis of ion flows is of great importance to measure the plasma response to the magnetic field or the exhaust particle flows in the divertor areas. Doppler coherence imaging spectroscopy (CIS) is a relatively new technique for the observation of plasma bulk ion dynamics. It is a passive optical diagnostic enabling line-integrated measurements to obtain 2D images of the ion flow and ion temperature. The general principle is similar to traditional Doppler spectroscopy, however CIS uses an imaging interferometer to perform narrow-bandwidth Fourier spectroscopy. A major advantage of the coherence imaging technique is the large amount of spatial information recovered. This allows tomographic inversion of the line-integrated measurements. With existing CIS setups, scrape-off-layer and high field side edge impurity flows could be observed in the MAST, core and edge poloidal He II flows in the WEGA stellarator and divertor impurity flows in DIII-D. The main objective of this study is the research of ion dynamics in the small linear plasma experiment VINETA.II and ASDEX-Upgrade. First Doppler CIS measurements from Ar-II plasma discharges in VINETA.II and He-II, C-III divertor flows in ASDEX-Upgrade and their preliminary interpretation will be presented.

DYNAMICS OF HIGH ENERGY IONS AT A STRUCTURED COLLISIONLESS SHOCK FRONT

Energy Technology Data Exchange (ETDEWEB)

Gedalin, M. [Department of Physics, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Dröge, W.; Kartavykh, Y. Y., E-mail: gedalin@bgu.ac.il [Institute for Theoretical Physics and Astrophysics, University of Würzburg, Würzburg (Germany)

2016-07-10

Ions undergoing first-order Fermi acceleration at a shock are scattered in the upstream and downstream regions by magnetic inhomogeneities. For high energy ions this scattering is efficient at spatial scales substantially larger than the gyroradius of the ions. The transition from one diffusive region to the other occurs via crossing the shock, and the ion dynamics during this crossing is mainly affected by the global magnetic field change between the upstream and downstream region. We study the effects of the fine structure of the shock front, such as the foot-ramp-overshoot profile and the phase-standing upstream and downstream magnetic oscillations. We also consider time dependent features, including reformation and large amplitude coherent waves. We show that the influence of the spatial and temporal structure of the shock front on the dependence of the transition and reflection on the pitch angle of the ions is already weak at ion speeds five times the speed of the upstream flow.

Technique for increasing dynamic range of space-borne ion composition instruments

International Nuclear Information System (INIS)

Burch, J.L.; Miller, G.P.; Santos, A. de los; Pollock, C.J.; Pope, S.E.; Valek, P. W.; Young, D.T.

2005-01-01

The dynamic range of ion composition spectrometers is limited by several factors, including saturation of particle counters and spillover of signals from highly dominant species into channels tuned to minor species. Instruments designed for composition measurements of hot plasmas in space can suffer greatly from both of these problems because of the wide energy range required and the wide disparity in fluxes encountered in various regions of interest. In order to detect minor ions in regions of very weak fluxes, geometry factors need to be as large as possible within the mass and volume resources available. As a result, problems with saturation by the dominant fluxes and spillover to minor-ion channels in plasma regions with intense fluxes become especially acute. This article reports on a technique for solving the dynamic-range problem in the few eV to several keV energy/charge range that is of central importance for space physics research where the dominant ion is of low mass/charge (typically H + ), and the minor ions are of higher mass/charge (typically O + ). The technique involves employing a radio-frequency modulation of the deflection electric field in the back section of an electrostatic analyzer in a time-of-flight instrument. This technique is shown to reduce H + counts by a controllable amount of up to factors of 1000 while reducing O + counts by only a few percent that can be calibrated

Orbit-based analysis of nonlinear energetic ion dynamics in tokamaks. II. Mechanisms for rapid chirping and convective amplification

Energy Technology Data Exchange (ETDEWEB)

Bierwage, Andreas [National Institutes for Quantum and Radiological Science and Technology, Rokkasho Fusion Institute, Aomori 039-3212 (Japan); Shinohara, Kouji [National Institutes for Quantum and Radiological Science and Technology, Naka Fusion Institute, Ibaraki 311-0193 Japan (Japan)

2016-04-15

The nonlinear interactions between shear Alfvén modes and tangentially injected beam ions in the 150–400 keV range are studied numerically in realistic geometry for a JT-60U tokamak scenario. In Paper I, which was reported in the companion paper, the recently developed orbit-based resonance analysis method was used to track the resonant frequency of fast ions during their nonlinear evolution subject to large magnetic and electric drifts. Here, that method is applied to map the wave-particle power transfer from the canonical guiding center phase space into the frequency-radius plane, where it can be directly compared with the evolution of the fluctuation spectra of fast-ion-driven modes. Using this technique, we study the nonlinear dynamics of strongly driven shear Alfvén modes with low toroidal mode numbers n = 1 and n = 3. In the n = 3 case, both chirping and convective amplification can be attributed to the mode following the resonant frequency of the radially displaced particles, i.e., the usual one-dimensional phase locking process. In the n = 1 case, a new chirping mechanism is found, which involves multiple dimensions, namely, wave-particle trapping in the radial direction and phase mixing across velocity coordinates.

Dynamics of beam-driven Langmuir and ion-acoustic waves including electrostatic decay

International Nuclear Information System (INIS)

Li, B.; Willes, A.J.; Robinson, P.A.; Cairns, I.H.

2003-01-01

The evolution of Langmuir waves and ion-acoustic waves stimulated by a hot electron beam in an initially homogeneous plasma is investigated numerically in time, position, and wave number space. Quasilinear interactions between the beam particles and Langmuir waves, nonlinear interactions between the Langmuir and ion-acoustic waves through Langmuir decay processes, and spontaneous emission are taken into account in the kinetic theory employed. For illustrative parameters of those in the solar wind near 1 a.u., nonlinear Langmuir decays are observed to transfer the beam-driven Langmuir waves rapidly out of resonance. The scattered Langmuir waves then undergo further decays, moving sequentially toward small wave numbers, until decay is kinematically prohibited. The main features of the evolution of Langmuir and ion-acoustic waves are spatially inhomogeneous. The scattered Langmuir spectra increase and eventually reach or exceed the beam-driven Langmuir spectra at a given spatial location (except in regions where further decays proceed). The ion-acoustic waves are relatively weak and subject to damping at the later stages of their evolution. The development of fine structures in the product Langmuir and ion-acoustic waves are observed, due to depletion of their energy by decay and dominant damping effects, respectively. The propagation of the beam is essentially unaffected by the operation of the decay process. The decay process is thus slaved to the primary beam-plasma evolution, as assumed in previous studies. A variation of the ratio of electron temperature to ion temperature is found to affect not only the ion-acoustic wave levels through effects on the damping rate, but also the dynamics of decay via effects on the decay rate. The latter was not addressed in previous studies. Furthermore, spontaneous emission of ion-acoustic waves is found to affect the dynamics of decay, thus its inclusion is necessary to correctly model the Langmuir and ion-acoustic spectra

Getting the ion-protein interactions right in molecular dynamics simulations

Czech Academy of Sciences Publication Activity Database

Duboué-Dijon, Elise; Mason, Philip E.; Jungwirth, Pavel

2017-01-01

Roč. 46, Suppl 1 (2017), S66 ISSN 0175-7571. [IUPAB congress /19./ and EBSA congress /11./. 16.07.2017-20.07.2017, Edinburgh] Institutional support: RVO:61388963 Keywords : ion-protein interaction * molecular dynamics simulations * neutron scattering * insulin Subject RIV: BO - Biophysics

Ferrimagnetic Properties of Bond Dilution Mixed Blume-Capel Model with Random Single-Ion Anisotropy

International Nuclear Information System (INIS)

Liu Lei; Yan Shilei

2005-01-01

We study the ferrimagnetic properties of spin 1/2 and spin-1 systems by means of the effective field theory. The system is considered in the framework of bond dilution mixed Blume-Capel model (BCM) with random single-ion anisotropy. The investigation of phase diagrams and magnetization curves indicates the existence of induced magnetic ordering and single or multi-compensation points. Special emphasis is placed on the influence of bond dilution and random single-ion anisotropy on normal or induced magnetic ordering states and single or multi-compensation points. Normal magnetic ordering states take on new phase diagrams with increasing randomness (bond and anisotropy), while anisotropy induced magnetic ordering states are always occurrence no matter whether concentration of anisotropy is large or small. Existence and disappearance of compensation points rely strongly on bond dilution and random single-ion anisotropy. Some results have not been revealed in previous papers and predicted by Neel theory of ferrimagnetism.

Modelling of caesium dynamics in the negative ion sources at BATMAN and ELISE

Science.gov (United States)

Mimo, A.; Wimmer, C.; Wünderlich, D.; Fantz, U.

2017-08-01

The knowledge of Cs dynamics in negative hydrogen ion sources is a primary issue to achieve the ITER requirements for the Neutral Beam Injection (NBI) systems, i.e. one hour operation with an accelerated ion current of 40 A of D- and a ratio between negative ions and co-extracted electrons below one. Production of negative ions is mostly achieved by conversion of hydrogen/deuterium atoms on a converter surface, which is caesiated in order to reduce the work function and increase the conversion efficiency. The understanding of the Cs transport and redistribution mechanism inside the source is necessary for the achievement of high performances. Cs dynamics was therefore investigated by means of numerical simulations performed with the Monte Carlo transport code CsFlow3D. Simulations of the prototype source (1/8 of the ITER NBI source size) have shown that the plasma distribution inside the source has the major effect on Cs dynamics during the pulse: asymmetry of the plasma parameters leads to asymmetry in Cs distribution in front of the plasma grid. The simulated time traces and the general simulation results are in agreement with the experimental measurements. Simulations performed for the ELISE testbed (half of the ITER NBI source size) have shown an effect of the vacuum phase time on the amount and stability of Cs during the pulse. The sputtering of Cs due to back-streaming ions was reproduced by the simulations and it is in agreement with the experimental observation: this can become a critical issue during long pulses, especially in case of continuous extraction as foreseen for ITER. These results and the acquired knowledge of Cs dynamics will be useful to have a better management of Cs and thus to reduce its consumption, in the direction of the demonstration fusion power plant DEMO.

Comparison of single and mixed ion implantation effects on the changes of the surface hardness, light transmittance, and electrical conductivity of polymeric materials

International Nuclear Information System (INIS)

Park, J. W.; Lee, J. H.; Lee, J. S.; Kil, J. G.; Choi, B. H.; Han, Z. H.

2001-01-01

Single or mixed ions of N, He, C were implanted onto the transparent PET(Polyethylen Terephtalate) with the ion energies of less than 100 keV and the surface hardness, light transmittance and electrical conductivity were examined. As measured with nanoindentation, mixed ion implantations such as N + +He + or N + + C + exhibited more increase in the surface hardness than the single ion implantation. Especially, implantation of C+N ions increased the surface hardness by about three times as compared to the implantation of N ion alone, which means more than 10 times increase than the untreated PET. Surface electrical conductivity was increased along with the hardness increase. The conductivity increase was more proportional to the hardness when used the higher ion energy and ion dose, while it did not show any relationship at as low as 50 keV of ion energy. The light at the 550 nm wavelength (visual range) transmitted more than 85%, which is close to that of as-received PET, and at the wavelength below 300 nm(UV range) the rays were absorbed more than 95% as traveling through the sheet, implying that there are processing parameters which the ion implanted PET maintains the transparency and absorbs the UV rays

Photodissociation spectroscopy and dynamics of free radicals, clusters, and ions

Energy Technology Data Exchange (ETDEWEB)

Choi, Hyeon [Univ. of California, Berkeley, CA (United States)

1999-12-01

The photodissociation spectroscopy and dynamics of free radicals and ions is studied to characterize the dissociative electronic states in these species. To accomplish this, a special method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with the technique of fast beam photofragment translational spectroscopy. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states. Branching ratios to various product channels, the translational energy distributions of the fragments, and bond dissociation energies are then determined at selected photon energies. The detailed picture of photodissociation dynamics is provided with the aid of ab initio calculations and a statistical model to interpret the observed data. Important reaction intermediates in combustion reactions have been studied: CCO, C₂H₅O, and linear C_n (n = 4--6).

Inorganic ion exchanger based on tin/titanium mixed oxide doped with europium to be used in radioactive waste

International Nuclear Information System (INIS)

Paganini, Paula P.; Felinto, Maria Claudia F.C.; Kodaira, Claudia A.; Brito, Hermi F.

2009-01-01

This work presents the results of synthesis and characterization of an inorganic ion exchanger based on tin/titanium mixed oxides doped with europium (SnO 2 /TiO 2 :Eu 3+ ) to be used in environmental field. The adsorption study of nickel was realized in this exchanger to recover the nickel metal which is in thorium-nickel alloys used as electrode of discharge lamps. The studied exchanger was synthesized by neutralization of tin chloride (IV) and titanium chloride (III) mixed solution and characterized by thermogravimetric measurement (TG), Differential Scanning Calorimetry (DSC), X-Ray Powder Diffraction (XRD), Infrared Spectroscopy (IR) and Scanning Electron Microscopy (SEM). The adsorption study showed that these inorganic ion exchangers are good materials to recovery nickel with high weight distribution ratios (Dw Ni 2+ ) and percent adsorption. (author)

Ion optics and beam dynamics optimization at the HESR storage ring for the SPARC experiments with highly charged heavy ions

International Nuclear Information System (INIS)

Kovalenko, Oleksandr

2015-01-01

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 90+ beam at the existing storage ring ESR, GSI.

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.

Kinetic modeling of particle dynamics in H{sup −} negative ion sources (invited)

Energy Technology Data Exchange (ETDEWEB)

Hatayama, A., E-mail: akh@ppl.appi.keio.ac.jp; Shibata, T.; Nishioka, S.; Ohta, M.; Yasumoto, M.; Nishida, K.; Yamamoto, T. [Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama, 223-8522 (Japan); Miyamoto, K. [Naruto University of Education, 748 Nakashima, Takashima, Naruto-cho, Naruto-shi, Tokushima 772-8502 (Japan); Fukano, A. [Monozukuri Department, Tokyo Metropolitan College of Industrial Technology, Shinagawa, Tokyo 140-0011 (Japan); Mizuno, T. [Department of Management Science, College of Engineering, Tamagawa University, Machida, Tokyo 194-8610 (Japan)

2014-02-15

Progress in the kinetic modeling of particle dynamics in H{sup −} negative ion source plasmas and their comparisons with experiments are reviewed, and discussed with some new results. Main focus is placed on the following two topics, which are important for the research and development of large negative ion sources and high power H{sup −} ion beams: (i) Effects of non-equilibrium features of EEDF (electron energy distribution function) on H{sup −} production, and (ii) extraction physics of H{sup −} ions and beam optics.

Physics in the fast lane: rotors, fast ions and mobile fermions

International Nuclear Information System (INIS)

Price, D.L.; Saboungi, M.-L.

1996-09-01

Dynamic disorder in the high-temperature solid phases of the Zintl compounds CsPb and NaSn is characterized by. fast orientational motions of the polyanions and coupled motions of the cations Melting is characterized by slow translational motions of the centers of mass of the polyanions. The dynamic behavior of the ions is associated with dramatic increases in electrical conductivity characteristic of the behavior expected of a mixed conductor

Salt dynamics in well-mixed estuaries: importance of advection by tides

OpenAIRE

Wei, X.; Schramkowski, G.P.; Schuttelaars, H.M.

2016-01-01

Understanding salt dynamics is important to adequately model salt intrusion, baroclinic forcing, and sediment transport. In this paper, the importance of the residual salt transport due to tidal advection in well-mixed tidal estuaries is studied. The water motion is resolved in a consistent way with a width-averaged analytical model, coupled to an advection–diffusion equation describing the salt dynamics. The residual salt balance obtained from the coupled model shows that the seaward salt tr...

Thermophysical properties of hydrogen-helium mixtures: re-examination of the mixing rules via quantum molecular dynamics simulations.

Science.gov (United States)

Wang, Cong; He, Xian-Tu; Zhang, Ping

2013-09-01

Thermophysical properties of hydrogen, helium, and hydrogen-helium mixtures have been investigated in the warm dense matter regime at electron number densities ranging from 6.02 × 10^{29} ∼ 2.41 × 10^{30} m^{-3} and temperatures from 4000 to 20000 K via quantum molecular dynamics simulations. We focus on the dynamical properties such as the equation of states, diffusion coefficients, and viscosity. Mixing rules (density matching, pressure matching, and binary ionic mixing rules) have been validated by checking composite properties of pure species against that of the fully interacting mixture derived from quantum molecular dynamics simulations. These mixing rules reproduce pressures within 10% accuracy, while it is 75% and 50% for the diffusion and viscosity, respectively. The binary ionic mixing rule moves the results into better agreement. Predictions from one component plasma model are also provided and discussed.

Surface modification of ceramics and metals by ion implantation combined with plasma irradiation

International Nuclear Information System (INIS)

Miyagawa, Soji; Miyagawa, Yoshiko; Nakao, Setsuo; Ikeyama, Masami; Saitoh, Kazuo

2000-01-01

To develop a new surface modification technique using ion implantation combined with plasma irradiation, thin film formation by IBAD (Ion Beam Assisted Deposition) and atom relocation processes such as radiation enhanced diffusion and ion beam mixing under high dose implantation have been studied. It was confirmed that the computer simulation code, dynamic-SASAMAL (IBAD version) developed in this research, is quite useful to evaluate ballistic components in film formation by high dose implantation on ceramics and metals, by ion beam mixing of metal-ceramics bi-layer and by the IBAD method including hydrocarbon deposition. Surface modification process of SiC by simultaneous irradiation of ions with a radical beam has also been studied. A composite of SiC and β-Si 3 N 4 was found to be formed on a SiC surface by hot implantation of nitrogen. The amount of β- Si 3 N 4 crystallites increased with increasing the dosage of the hydrogen radical beam during nitrogen implantation. (author)

Characteristics and dynamics of the boundary layer in RF-driven sources for negative hydrogen ions

International Nuclear Information System (INIS)

Wimmer, Christian

2014-01-01

The design of the neutral beam injection system of the upcoming ITER fusion device is based on the IPP (Max-Planck-Institut fuer Plasmaphysik, Garching) prototype source for negative hydrogen ions. The latter consists of a driver, in which hydrogen (or deuterium) molecules are dissociated in a large degree in a hydrogen plasma; the plasma expands then towards the plasma grid, on which negative hydrogen ions are formed by conversion of atoms or positive ions by the surface process and are extracted in the following accompanied by the co-extraction of electrons via a three grid system. Electrons are removed out of the extracted beam prior full acceleration using deflection magnets, bending them onto the second grid. The thermal load limits the tolerable amount of co-extracted electrons. A magnetic filter field in the expansion chamber reduces the electron temperature and density, on the one hand in order to minimize the destruction process of negative hydrogen ions by electron collisions and on the other hand in order to reduce the co-extracted electron current density. Caesium is evaporated into the source for an effective production of negative hydrogen ions, lowering the work function of the plasma grid. Due to the high chemical reactivity of caesium, the high vacuum condition in the source and the plasma-wall interaction, complex redistribution processes of Cs take place in the ion source. The boundary layer is the plasma volume between the magnetic filter field and the plasma grid, in which the most important physics of the negative ion source takes place: the production of negative hydrogen ions at the plasma grid, their transport through the plasma and the following extraction. A deeper understanding of the plasma and Cs dynamics in the boundary layer is desirable in order to achieve a stable long-pulse operation as well as to identify possible future improvements. For this reason, the boundary layer of the prototype source has been characterized in this work

Studies on mixed ligand complexes of adenine and xanthine with some rare earth ions

International Nuclear Information System (INIS)

Rastogi, P.R.; Singh, Mamta; Nayan, Ram

1993-01-01

Interactions of 6-aminopurine (adenine, HA) and 2,6-dihydroxypurine (xanthine, HB) with trivalent rare earth ions Y, Tb, Dy, Ho, Er and Tm, have been studied by pH-titration methods in aqueous solution at 20 o (μ = 0.1 M KNO 3 ). The ligands in their mixtures with tripositive rare earth ions (M 3+ ) form a number of mixed ligand complexes, M 3+ -adenine-xanthine, M 3+ -(adenine) 2 -xanthine, M 3+ -adenine-(xanthine) 2 in addition to the binary complexes, M 3+ -(adenine), M 3+ -(adenine) 2 , M 3+ -(adenine) 3 , M 3+ -(xanthine), M 3+ -(xanthine) 2 and M 3+ -(xanthine) 3 . The stability constants of these complexes have been evaluated and the results discussed. (author). 13 refs., 1 fig., 1 tab

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

DEFF Research Database (Denmark)

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

2011-01-01

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

Dynamic phase transition properties for the mixed spin-(1/2, 1) Ising model in an oscillating magnetic field

Energy Technology Data Exchange (ETDEWEB)

Ertaş, Mehmet, E-mail: mehmetertas@erciyes.edu.tr; Keskin, Mustafa

2015-08-15

Herein we study the dynamic phase transition properties for the mixed spin-(1/2, 1) Ising model on a square lattice under a time-dependent magnetic field by means of the effective-field theory (EFT) with correlations based on Glauber dynamics. We present the dynamic phase diagrams in the reduced magnetic field amplitude and reduced temperature plane and find that the phase diagrams exhibit dynamic tricitical behavior, multicritical and zero-temperature critical points as well as reentrant behavior. We also investigate the influence of frequency (ω) and observe that for small values of ω the mixed phase disappears, but for high values it appears and the system displays reentrant behavior as well as a critical end point. - Highlights: • Dynamic behaviors of a ferrimagnetic mixed spin (1/2, 1) Ising system are studied. • We examined the effects of the Hamiltonian parameters on the dynamic behaviors. • The phase diagrams are obtained in (T-h) plane. • The dynamic phase diagrams exhibit the dynamic tricritical and reentrant behaviors.

Dynamic phase transition properties for the mixed spin-(1/2, 1) Ising model in an oscillating magnetic field

International Nuclear Information System (INIS)

Ertaş, Mehmet; Keskin, Mustafa

2015-01-01

Herein we study the dynamic phase transition properties for the mixed spin-(1/2, 1) Ising model on a square lattice under a time-dependent magnetic field by means of the effective-field theory (EFT) with correlations based on Glauber dynamics. We present the dynamic phase diagrams in the reduced magnetic field amplitude and reduced temperature plane and find that the phase diagrams exhibit dynamic tricitical behavior, multicritical and zero-temperature critical points as well as reentrant behavior. We also investigate the influence of frequency (ω) and observe that for small values of ω the mixed phase disappears, but for high values it appears and the system displays reentrant behavior as well as a critical end point. - Highlights: • Dynamic behaviors of a ferrimagnetic mixed spin (1/2, 1) Ising system are studied. • We examined the effects of the Hamiltonian parameters on the dynamic behaviors. • The phase diagrams are obtained in (T-h) plane. • The dynamic phase diagrams exhibit the dynamic tricritical and reentrant behaviors

Electrodiffusive model for astrocytic and neuronal ion concentration dynamics.

Directory of Open Access Journals (Sweden)

Geir Halnes

Full Text Available The cable equation is a proper framework for modeling electrical neural signalling that takes place at a timescale at which the ionic concentrations vary little. However, in neural tissue there are also key dynamic processes that occur at longer timescales. For example, endured periods of intense neural signaling may cause the local extracellular K(+-concentration to increase by several millimolars. The clearance of this excess K(+ depends partly on diffusion in the extracellular space, partly on local uptake by astrocytes, and partly on intracellular transport (spatial buffering within astrocytes. These processes, that take place at the time scale of seconds, demand a mathematical description able to account for the spatiotemporal variations in ion concentrations as well as the subsequent effects of these variations on the membrane potential. Here, we present a general electrodiffusive formalism for modeling of ion concentration dynamics in a one-dimensional geometry, including both the intra- and extracellular domains. Based on the Nernst-Planck equations, this formalism ensures that the membrane potential and ion concentrations are in consistency, it ensures global particle/charge conservation and it accounts for diffusion and concentration dependent variations in resistivity. We apply the formalism to a model of astrocytes exchanging ions with the extracellular space. The simulations show that K(+-removal from high-concentration regions is driven by a local depolarization of the astrocyte membrane, which concertedly (i increases the local astrocytic uptake of K(+, (ii suppresses extracellular transport of K(+, (iii increases axial transport of K(+ within astrocytes, and (iv facilitates astrocytic relase of K(+ in regions where the extracellular concentration is low. Together, these mechanisms seem to provide a robust regulatory scheme for shielding the extracellular space from excess K(+.

Dynamics in ion-molecule collisions at high velocities: One- and two-electron processes

International Nuclear Information System (INIS)

Wang, Yudong.

1992-01-01

This dissertation addresses the dynamic interactions in ion-molecule collisions. Theoretical methods are developed for single and multiple electron transitions in fast collisions with diatomic molecules by heavy-ion projectiles. Various theories and models are developed to treat the three basic inelastic processes (excitation, ionization and charge transfer) involving one and more electrons. The development, incorporating the understanding of ion-atom collision theories with some unique characteristics for molecular targets, provides new insights into phenomena that are absent from collisions with atomic targets. The influence from the multiple scattering centers on collision dynamics is assessed. For diatomic molecules, effects due to a fixed molecular orientation or alignment are calculated and compared with available experimental observations. Compared with excitation and ionization, electron capture, which probes deeper into the target, presents significant two-center interference and strong orientation dependence. Attention has been given in this dissertation to exploring mechanisms for two-and multiple electron transitions. Application of independent electron approximation to transfer excitation from molecular hydrogen is studied. Electron-electron interaction originated from projectile and target nuclear centers is studied in conjunction with the molecular nature of target. Limitations of the present theories and models as well as possible new areas for future theoretical and experimental applications are also discussed. This is the first attempt to describe multi-electron processes in molecular dynamics involving fast highly charged ions

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.

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

International Nuclear Information System (INIS)

Zanni, Martin T.

1999-01-01

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

Mixed ion beams near transition energy

International Nuclear Information System (INIS)

Hancock, S.

1991-01-01

The standard derivations of the energy and phase of the synchronous particle in a proton accelerator assume, as if by definition, that said synchronous particle lies on the central orbit of the machine. This is manifestly unjustified in the particular case of the acceleration near transition of a mixture of ions, when a small difference in charge-to-mass ratio can produce a large radial separation of the different ion species. The development of a simple derivation of the parameters of the synchronous particle that involves no such a priori constraint has yielded some surprises; not, least, a belated explanation for an apparent anomaly encountered in 1987, when a mixture of oxygen and sulphur ions was accelerated in the CERN Proton Synchrotron for the first time. These ideas are supported by measurements performed in 1990 during a second ion run

Comprehensive analysis of pharmaceutical products using simultaneous mixed-mode (ion-exchange/reversed-phase) and hydrophilic interaction liquid chromatography.

Science.gov (United States)

Kazarian, Artaches A; Nesterenko, Pavel N; Soisungnoen, Phimpha; Burakham, Rodjana; Srijaranai, Supalax; Paull, Brett

2014-08-01

Liquid chromatographic assays were developed using a mixed-mode column coupled in sequence with a hydrophilic interaction liquid chromatography column to allow the simultaneous comprehensive analysis of inorganic/organic anions and cations, active pharmaceutical ingredients, and excipients (carbohydrates). The approach utilized dual sample injection and valve-mediated column switching and was based upon a single high-performance liquid chromatography gradient pump. The separation consisted of three distinct sequential separation mechanisms, namely, (i) ion-exchange, (ii) mixed-mode interactions under an applied dual gradient (reversed-phase/ion-exchange), and (iii) hydrophilic interaction chromatography. Upon first injection, the Scherzo SS C18 column (Imtakt) provided resolution of inorganic anions and cations under isocratic conditions, followed by a dual organic/salt gradient to elute active pharmaceutical ingredients and their respective organic counterions and potential degradants. At the top of the mixed-mode gradient (high acetonitrile content), the mobile phase flow was switched to a preconditioned hydrophilic interaction liquid chromatography column, and the standard/sample was reinjected for the separation of hydrophilic carbohydrates, some of which are commonly known excipients in drug formulations. The approach afforded reproducible separation and resolution of up to 23 chemically diverse solutes in a single run. The method was applied to investigate the composition of commercial cough syrups (Robitussin®), allowing resolution and determination of inorganic ions, active pharmaceutical ingredients, excipients, and numerous well-resolved unknown peaks. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparison of linear intrascan and interscan dynamic ranges of Orbitrap and ion-mobility time-of-flight mass spectrometers.

Science.gov (United States)

Kaufmann, Anton; Walker, Stephan

2017-11-30

The linear intrascan and interscan dynamic ranges of mass spectrometers are important in metabolome and residue analysis. A large linear dynamic range is mandatory if both low- and high-abundance ions have to be detected and quantitated in heavy matrix samples. These performance criteria, as provided by modern high-resolution mass spectrometry (HRMS), were systematically investigated. The comparison included two generations of Orbitraps, and an ion mobility quadrupole time-of-flight (QTOF) system In addition, different scan modes, as provided by the utilized instruments, were investigated. Calibration curves of different compounds covering a concentration range of five orders of magnitude were measured to evaluate the linear interscan dynamic range. The linear intrascan dynamic range and the resulting mass accuracy were evaluated by repeating these measurements in the presence of a very intense background. Modern HRMS instruments can show linear dynamic ranges of five orders of magnitude. Often, however, the linear dynamic range is limited by the detection capability (sensitivity and selectivity) and by the electrospray ionization. Orbitraps, as opposed to TOF instruments, show a reduced intrascan dynamic range. This is due to the limited C-trap and Orbitrap capacity. The tested TOF instrument shows poorer mass accuracies than the Orbitraps. In contrast, hyphenation with an ion-mobility device seems not to affect the linear dynamic range. The linear dynamic range of modern HRMS instrumentation has been significantly improved. This also refers to the virtual absence of systematic mass shifts at high ion abundances. The intrascan dynamic range of the current Orbitrap technology may still be a limitation when analyzing complex matrix extracts. On the other hand, the linear dynamic range is not only limited by the detector technology, but can also be shortened by peripheral devices, where the ionization and transfer of ions take place. Copyright © 2017 John Wiley

Mixed beams for the nuclear microprobe

Energy Technology Data Exchange (ETDEWEB)

Saint, A.; Breese, M.B.H.; Legge, G.L.F. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

1996-12-31

Recently the Micro-Analytical Research Centre (MARC) at Melbourne University has developed a technique to provide mixed beams of ions for a magnetically focussed nuclear microprobe. Such a mixed beam is defined as two (or more) beams of different species ions that can quickly and easily be made to have the same magnetic rigidity R{sub m} = (mE/q{sup 2}) and therefore be transported, focused and scanned the same in a magnetic nuclear microprobe. The production of mixed beams in an electrostatically focussed micro- probe have already been demonstrated. This paper will show how mixed beams can be produced on a single-ended accelerator. Indications of how to produce them on a tandem will also be given. Applications of these mixed beams in micro-lithography, scanning transmission ion microscopy (STIM) imaging and ion beam induced charge (IBIC) imaging will also be presented. 3 refs., 3 figs.

Mixed beams for the nuclear microprobe

Energy Technology Data Exchange (ETDEWEB)

Saint, A; Breese, M B.H.; Legge, G L.F. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

1997-12-31

Recently the Micro-Analytical Research Centre (MARC) at Melbourne University has developed a technique to provide mixed beams of ions for a magnetically focussed nuclear microprobe. Such a mixed beam is defined as two (or more) beams of different species ions that can quickly and easily be made to have the same magnetic rigidity R{sub m} = (mE/q{sup 2}) and therefore be transported, focused and scanned the same in a magnetic nuclear microprobe. The production of mixed beams in an electrostatically focussed micro- probe have already been demonstrated. This paper will show how mixed beams can be produced on a single-ended accelerator. Indications of how to produce them on a tandem will also be given. Applications of these mixed beams in micro-lithography, scanning transmission ion microscopy (STIM) imaging and ion beam induced charge (IBIC) imaging will also be presented. 3 refs., 3 figs.

A size-composition resolved aerosol model for simulating the dynamics of externally mixed particles: SCRAM (v 1.0)

Science.gov (United States)

Zhu, S.; Sartelet, K. N.; Seigneur, C.

2015-06-01

The Size-Composition Resolved Aerosol Model (SCRAM) for simulating the dynamics of externally mixed atmospheric particles is presented. This new model classifies aerosols by both composition and size, based on a comprehensive combination of all chemical species and their mass-fraction sections. All three main processes involved in aerosol dynamics (coagulation, condensation/evaporation and nucleation) are included. The model is first validated by comparison with a reference solution and with results of simulations using internally mixed particles. The degree of mixing of particles is investigated in a box model simulation using data representative of air pollution in Greater Paris. The relative influence on the mixing state of the different aerosol processes (condensation/evaporation, coagulation) and of the algorithm used to model condensation/evaporation (bulk equilibrium, dynamic) is studied.

Study of Dynamic Flow and Mixing Performances of Tri-Screw Extruders with Finite Element Method

OpenAIRE

X. Z. Zhu; G. Wang; Y. D. He; Z. F. Cheng

2013-01-01

There is a special circumfluence in the center region of cross-section for a tri-screw extruder. To study the effect of the dynamic center region on the flow and mixing mechanism of the tri-screw extruder, 2D finite element modeling was used to reduce the axial effects. Based on the particle tracking technology, the nonlinear dynamics of a typical particle motions in the center region was carried out and the mixing process in the tri-screw extruder was analyzed with Poincaré maps. Moreover, m...

Arctic Mixed Layer Dynamics

National Research Council Canada - National Science Library

Morison, James

2003-01-01

.... Over the years we have sought to understand the heat and mass balance of the mixed layer, marginal ice zone processes, the Arctic internal wave and mixing environment, summer and winter leads, and convection...

Improvement of the Separation Efficiency of Ion Flotation and Adsorbing Colloid Flotation by the Synergistic Effect of Mixed Surfactant Solutions

Energy Technology Data Exchange (ETDEWEB)

Kim, K.H.; Seo, E.J.; Choi, S.J. [Dept. of. Env. Eng., Kyungpook National University, Taegu (Korea)

1999-02-01

Experimental investigations on the removal of Cd(II) from aqueous ablution were carried out through two foam separation techniques : ion floatation and adsorbing colloid flotation with Fe(III). The optimum pH for good removal was found to be about 6.4 for the former and about 11 for the latter. The effect of flotation time. pH, surfactant(sodium lauryl sulfate), foreign ions(Na{sup +}, Ca{sup 2+}, No{sub 3}{sup -}, SO{sub 2}{sup -4} ) on the efficiency of Cd(II) removal were discussed. The presence of foreign ions inhibit the Cd(II) removal by foam flotation. It was suggested that the limitation of foam flotation on Cd(II) removal may be overcome by the surface activity of mixed surfactant solution. The application of the synergistic effect of mixed surfactant solutions to the improvement of the removal efficiency of foam flotation was experimentally verified in this work. 19 refs., 7 figs., 3 tabs.

Structure and Dynamics of Water on Aqueous Barium Ion and the {001} Barite Surface

International Nuclear Information System (INIS)

Stack, Andrew G.; Rustad, James R.

2007-01-01

The structure of water and its dynamics affect a number of fundamental properties of an interface. Yet, these properties are often inaccessible experimentally and computational studies including solvent are comparatively few. Here, we estimate the structure and kinetics of water exchange of aqueous barium ions and barium ions within the {001} barite surface using molecular dynamics and the reactive flux method. For the aqueous ion, the Ba-O distance to water in the first hydration shell was found to be 280 pm with a coordination number of 8.3, and the best estimate of the exchange rate constant is 4.8 x 10 9 s -1 , closely matching experimental estimates. For the barite surface, the first shell water distance was 282 pm, with a coordination number of 0.9 and the best estimate of the rate constant for exchange is 1.7 x 10 10 s -1 , 3.5 times faster than that of the aqueous ion.

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

International Nuclear Information System (INIS)

Bindslev, H; Nielsen, S K; Porte, L; Hoekzema, J A; Korsholm, S B; Meo, F; Michelsen, P K; Michelsen, S; Oosterbeek, J W; Tsakadze, E L; Westerhof, E; Woskov, P

2007-01-01

The dynamics of fast ion populations in the TEXTOR tokamak are measured by collective Thomson scattering of millimetre wave radiation generated by a gyrotron operated at 110 GHz and 100-150 kW. Temporal evolution of the energetic ion velocity distribution at switch on of neutral beam injection (NBI) and the slowdown after switch off of NBI are measured. The turn on phase of the NBI has, furthermore, been measured in plasmas with a range of electron densities and temperatures. All of these measurements are shown to be in good agreement with simple Fokker-Planck modelling. Bulk ion rotation velocity is also measured

Covalent bonding and J-J mixing effects on the EPR parameters of Er3+ions in GaN crystal

Institute of Scientific and Technical Information of China (English)

柴瑞鹏; 李隆; 梁良; 庞庆

2016-01-01

The EPR parameters of trivalent Er3+ ions doped in hexagonal GaN crystal have been studied by diagonalizing the 364×364 complete energy matrices. The results indicate that the resonance ground states may be derived from the Kramers doubletΓ6. The EPR g-factors may be ascribed to the stronger covalent bonding and nephelauxetic effects compared with other rare-earth doped complexes, as a result of the mismatch of ionic radii of the impurity Er3+ion and the replaced Ga3+ion apart from the intrinsic covalency of host GaN. Furthermore, the J–J mixing effects on the EPR parameters from the high-lying manifolds have been evaluated. It is found that the dominant J–J mixing contribution is from the manifold 2K15/2, which accounts for about 2.5%. The next important J–J contribution arises from the crystal–field mixture between the ground state 4I15/2 and the first excited state 4I13/2, and is usually less than 0.2%. The contributions from the rest states may be ignored.

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

Science.gov (United States)

Martinek, Tomas; Duboué-Dijon, Elise; Timr, Štěpán; Mason, Philip E.; Baxová, Katarina; Fischer, Henry E.; Schmidt, Burkhard; Pluhařová, Eva; Jungwirth, Pavel

2018-06-01

We present a combination of force field and ab initio molecular dynamics simulations together with neutron scattering experiments with isotopic substitution that aim at characterizing ion hydration and pairing in aqueous calcium chloride and formate/acetate solutions. Benchmarking against neutron scattering data on concentrated solutions together with ion pairing free energy profiles from ab initio molecular dynamics allows us to develop an accurate calcium force field which accounts in a mean-field way for electronic polarization effects via charge rescaling. This refined calcium parameterization is directly usable for standard molecular dynamics simulations of processes involving this key biological signaling ion.

Dynamical simulation of heavy ion collisions; VUU and QMD method

International Nuclear Information System (INIS)

Niita, Koji

1992-01-01

We review two simulation methods based on the Vlasov-Uehling-Uhlenbeck (VUU) equation and Quantum Molecular Dynamics (QMD), which are the most widely accepted theoretical framework for the description of intermediate-energy heavy-ion reactions. We show some results of the calculations and compare them with the experimental data. (author)

Plume and wake dynamics, mixing, and chemistry behind an HSCT aircraft

Science.gov (United States)

Miake-Lye, R. C.; Martinez-Sanchez, M.; Brown, R. C.; Kolb, C. E.

1991-01-01

The chemical evolution and mixing and vortical motion of a High Speed Civil Transport's engine exhausts must be analyzed in order to track the gas and its speciation as emissions are mixed to atmospheric scales. Attention is presently given to an analytic model of the wake dynamical processes which accounts for the roll-up of the trailing vorticity, its breakup due to the Crow instability, and the subsequent evolution and motion of the reconnected vorticity. The concentrated vorticity is noted to wrap up the buoyant exhaust and suppress its continued mixing and dilution. The species tracked encompass those which could be heterogeneously reactive on the surfaces of the condensed ice particles, and those capable of reacting with exhaust soot particle surfaces to form active contrail and/or cloud condensation nuclei.

Molecular Dynamics Simulation of the Antiamoebin Ion Channel: Linking Structure and Conductance

Science.gov (United States)

Wilson, Michael A.; Wei, Chenyu; Bjelkmar, Paer; Wallace, B. A.; Pohorille, Andrew

2011-01-01

Molecular dynamics simulations were carried out in order to ascertain which of the potential multimeric forms of the transmembrane peptaibol channel, antiamoebin, is consistant with its measured conductance. Estimates of the conductance obtained through counting ions that cross the channel and by solving the Nernst-Planck equation yield consistent results, indicating that the motion of ions inside the channel can be satisfactorily described as diffusive.The calculated conductance of octameric channels is markedly higher than the conductance measured in single channel recordings, whereas the tetramer appears to be non-conducting. The conductance of the hexamer was estimated to be 115+/-34 pS and 74+/-20 pS, at 150 mV and 75 mV, respectively, in satisfactory agreement with the value of 90 pS measured at 75 mV. On this basis we propose that the antiamoebin channel consists of six monomers. Its pore is large enough to accommodate K(+) and Cl(-) with their first solvation shells intact. The free energy barrier encountered by K(+) is only 2.2 kcal/mol whereas Cl(-) encounters a substantially higher barrier of nearly 5 kcal/mol. This difference makes the channel selective for cations. Ion crossing events are shown to be uncorrelated and follow Poisson statistics. keywords: ion channels, peptaibols, channel conductance, molecular dynamics

Exploring Ion-Ion Interactions in Aqueous Solutions by a Combination of Molecular Dynamics and Neutron Scattering

Czech Academy of Sciences Publication Activity Database

Kohagen, Miriam; Pluhařová, E.; Mason, Philip E.; Jungwirth, Pavel

2015-01-01

Roč. 6, č. 9 (2015), s. 1563-1567 ISSN 1948-7185 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : ion pairing * molecular dynamics * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 8.539, year: 2015 http://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.5b00060

Modeling Temporal Behavior in Large Networks: A Dynamic Mixed-Membership Model

Energy Technology Data Exchange (ETDEWEB)

Rossi, R; Gallagher, B; Neville, J; Henderson, K

2011-11-11

Given a large time-evolving network, how can we model and characterize the temporal behaviors of individual nodes (and network states)? How can we model the behavioral transition patterns of nodes? We propose a temporal behavior model that captures the 'roles' of nodes in the graph and how they evolve over time. The proposed dynamic behavioral mixed-membership model (DBMM) is scalable, fully automatic (no user-defined parameters), non-parametric/data-driven (no specific functional form or parameterization), interpretable (identifies explainable patterns), and flexible (applicable to dynamic and streaming networks). Moreover, the interpretable behavioral roles are generalizable, computationally efficient, and natively supports attributes. We applied our model for (a) identifying patterns and trends of nodes and network states based on the temporal behavior, (b) predicting future structural changes, and (c) detecting unusual temporal behavior transitions. We use eight large real-world datasets from different time-evolving settings (dynamic and streaming). In particular, we model the evolving mixed-memberships and the corresponding behavioral transitions of Twitter, Facebook, IP-Traces, Email (University), Internet AS, Enron, Reality, and IMDB. The experiments demonstrate the scalability, flexibility, and effectiveness of our model for identifying interesting patterns, detecting unusual structural transitions, and predicting the future structural changes of the network and individual nodes.

Dynamical scenario of intermediary mass fragments formation in heavy ion collisions

International Nuclear Information System (INIS)

Ayik, S.; Belkacem, M.; Gregoire, C.; Stryjewski, J.; Suraud, E.

1989-01-01

We briefly remind the possible dynamical scenario of fragments formation in heavy-ion collisions at some tens fo MeV/A. We discuss how present day dynamical models can describe fragment formation. We next turn to the Boltzmann-Langevin formalism which provides a well defined theoretical framework for the understanding of the growing of the dynamical instabilities leading to multifragmentation. We present a first numerical solution of the Boltzmann-Langevin equation and we apply the formalism to the onset of multifragmentation of the 40 Ca + 40 Ca system between 20 and 60 MeV/A beam energy [fr

Dynamics of water and ions in clays of type montmorillonite by microscopic simulation and quasi-elastic neutron scattering

International Nuclear Information System (INIS)

Malikova, N.

2005-09-01

Montmorillonite clays in low hydration states, with Na + and Cs + compensating counter ions, are investigated by a combination of microscopic simulation and quasi-elastic neutron scattering to obtain information on the local structure and dynamics of water and ions in the interlayer. At first predictions of simulation into the dynamics of water and ions at elevate temperatures are shown (0 deg C 80 deg C, pertinent for the radioactive waste disposal scenario) Marked difference is observed between the modes of diffusion of the Na + and C + counter ions. In water dynamics, a significant step towards bulk water behaviour is seen on transition from the mono- to bilayer states. Secondly, a detailed comparison between simulation and quasi-elastic neutron scattering (Neutron Spin Echo and Time-of-Flight) regarding ambient temperature water dynamics is presented. Overall, the approaches are found to be in good agreement with each other and limitations of each of the methods are clearly shown. (author)

Lutetium(III) aqua ion: On the dynamical structure of the heaviest lanthanoid hydration complex

Energy Technology Data Exchange (ETDEWEB)

Sessa, Francesco; D’Angelo, Paola, E-mail: p.dangelo@uniroma1.it [Dipartimento di Chimica, Università di Roma “La Sapienza,” P. le A. Moro 5, 00185 Roma (Italy); Spezia, Riccardo [CNRS, UMR 8587, Laboratoire Analyse et Modelisation Pour la Biologie et l’Environnement, Université d’Evry Val d’Essonne, Blvd. F. Mitterrand, 91025 Evry Cedex (France)

2016-05-28

The structure and dynamics of the lutetium(III) ion in aqueous solution have been investigated by means of a polarizable force field molecular dynamics (MD). An 8-fold square antiprism (SAP) geometry has been found to be the dominant configuration of the lutetium(III) aqua ion. Nevertheless, a low percentage of 9-fold complexes arranged in a tricapped trigonal prism (TTP) geometry has been also detected. Dynamic properties have been explored by carrying out six independent MD simulations for each of four different temperatures: 277 K, 298 K, 423 K, 632 K. The mean residence time of water molecules in the first hydration shell at room temperature has been found to increase as compared to the central elements of the lanthanoid series in agreement with previous experimental findings. Water exchange kinetic rate constants at each temperature and activation parameters of the process have been determined from the MD simulations. The obtained structural and dynamical results suggest that the water exchange process for the lutetium(III) aqua ion proceeds with an associative mechanism, in which the SAP hydration complex undergoes temporary structural changes passing through a 9-fold TTP intermediate. Such results are consistent with the water exchange mechanism proposed for heavy lanthanoid atoms.

Dynamical effects prior to heavy ion fusion

International Nuclear Information System (INIS)

Mikhajlova, T.I.; Mikhajlov, I.N.; Molodtsova, I.V.; Di Toro, M.

2002-01-01

Dynamical effects in the initial phase of fusion reactions are studied following the evolution of two colliding 100 Mo ions. The role of elastic forces associated with the Fermi-surface deformation is shown by comparing the results obtained with and without taking the memory effects into account. The Bass barrier separating fused and scattered configurations and the lower bound for the extra push energy are estimated. Examples of cases are shown in which the excitation energy and deformation dependence of the friction parameter are fictitious and simulate the effects of collective motion related with the Fermi-surface deformations

Dynamical tunneling in systems with a mixed phase space

International Nuclear Information System (INIS)

Loeck, Steffen

2010-01-01

Tunneling is one of the most prominent features of quantum mechanics. While the tunneling process in one-dimensional integrable systems is well understood, its quantitative prediction for systems with a mixed phase space is a long-standing open challenge. In such systems regions of regular and chaotic dynamics coexist in phase space, which are classically separated but quantum mechanically coupled by the process of dynamical tunneling. We derive a prediction of dynamical tunneling rates which describe the decay of states localized inside the regular region towards the so-called chaotic sea. This approach uses a fictitious integrable system which mimics the dynamics inside the regular domain and extends it into the chaotic region. Excellent agreement with numerical data is found for kicked systems, billiards, and optical microcavities, if nonlinear resonances are negligible. Semiclassically, however, such nonlinear resonance chains dominate the tunneling process. Hence, we combine our approach with an improved resonance-assisted tunneling theory and derive a unified prediction which is valid from the quantum to the semiclassical regime. We obtain results which show a drastically improved accuracy of several orders of magnitude compared to previous studies. (orig.)

Dynamical tunneling in systems with a mixed phase space

Energy Technology Data Exchange (ETDEWEB)

Loeck, Steffen

2010-04-22

Tunneling is one of the most prominent features of quantum mechanics. While the tunneling process in one-dimensional integrable systems is well understood, its quantitative prediction for systems with a mixed phase space is a long-standing open challenge. In such systems regions of regular and chaotic dynamics coexist in phase space, which are classically separated but quantum mechanically coupled by the process of dynamical tunneling. We derive a prediction of dynamical tunneling rates which describe the decay of states localized inside the regular region towards the so-called chaotic sea. This approach uses a fictitious integrable system which mimics the dynamics inside the regular domain and extends it into the chaotic region. Excellent agreement with numerical data is found for kicked systems, billiards, and optical microcavities, if nonlinear resonances are negligible. Semiclassically, however, such nonlinear resonance chains dominate the tunneling process. Hence, we combine our approach with an improved resonance-assisted tunneling theory and derive a unified prediction which is valid from the quantum to the semiclassical regime. We obtain results which show a drastically improved accuracy of several orders of magnitude compared to previous studies. (orig.)

Two-state ion heating at quasi-parallel shocks

International Nuclear Information System (INIS)

Thomsen, M.F.; Gosling, J.T.; Bame, S.J.; Onsager, T.G.; Russell, C.T.

1990-01-01

In a previous study of ion heating at quasi-parallel shocks, the authors showed a case in which the ion distributions downstream from the shock alternated between a cooler, denser, core/shoulder type and a hotter, less dense, more Maxwellian type. In this paper they further document the alternating occurrence of two different ion states downstream from several quasi-parallel shocks. Three separate lines of evidence are presented to show that the two states are not related in an evolutionary sense, but rather both are produced alternately at the shock: (1) the asymptotic downstream plasma parameters (density, ion temperature, and flow speed) are intermediate between those characterizing the two different states closer to the shock, suggesting that the asymptotic state is produced by a mixing of the two initial states; (2) examples of apparently interpenetrating (i.e., mixing) distributions can be found during transitions from one state to the other; and (3) examples of both types of distributions can be found at actual crossings of the shock ramp. The alternation between the two different types of ion distribution provides direct observational support for the idea that the dissipative dynamics of at least some quasi-parallel shocks is non-stationary and cyclic in nature, as demonstrated by recent numerical simulations. Typical cycle times between intervals of similar ion heating states are ∼2 upstream ion gyroperiods. Both the simulations and the in situ observations indicate that a process of coherent ion reflection is commonly an important part of the dissipation at quasi-parallel shocks

Mitochondrial membranes with mono- and divalent salt: changes induced by salt ions on structure and dynamics

DEFF Research Database (Denmark)

Pöyry, Sanja; Róg, Tomasz; Karttunen, Mikko

2009-01-01

We employ atomistic simulations to consider how mono- (NaCl) and divalent (CaCl(2)) salt affects properties of inner and outer membranes of mitochondria. We find that the influence of salt on structural properties is rather minute, only weakly affecting lipid packing, conformational ordering......, and membrane electrostatic potential. The changes induced by salt are more prominent in dynamical properties related to ion binding and formation of ion-lipid complexes and lipid aggregates, as rotational diffusion of lipids is slowed down by ions, especially in the case of CaCl(2). In the same spirit, lateral...... diffusion of lipids is slowed down rather considerably for increasing concentration of CaCl(2). Both findings for dynamic properties can be traced to the binding of ions with lipid head groups and the related changes in interaction patterns in the headgroup region, where the binding of Na(+) and Ca(2+) ions...

Optical and electronic properties of polyvinyl alcohol doped with pairs of mixed valence metal ions

International Nuclear Information System (INIS)

Bulinski, Mircea; Kuncser, Victor; Plapcianu, Carmen; Krautwald, Stefan; Franke, Hilmar; Rotaru, P; Filoti, George

2004-01-01

The electronic mechanisms induced by the UV exposure of thin films of polyvinyl alcohol doped with pairs of mixed valence metal ions were studied in relation to their optical behaviour by Moessbauer spectroscopy and optical absorption. The results obtained definitely point to the role of each element from the pair in the electronic mechanism involved, with influence on the optical properties regarding applications in real-time holography and integrated optics

Mechanisms of Acceleration and Retardation of Water Dynamics by Ions

Czech Academy of Sciences Publication Activity Database

Stirnemann, G.; Wernersson, Erik; Jungwirth, Pavel; Laage, D.

2013-01-01

Roč. 135, č. 32 (2013), s. 11824-11831 ISSN 0002-7863 R&D Projects: GA ČR GBP208/12/G016 Grant - others:European Research Council(XE) FP7-279977 Institutional support: RVO:61388963 Keywords : ions * water * molecular dynamics * NMR * IR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 11.444, year: 2013

Analyzing the Mixing Dynamics of an Industrial Batch Bin Blender via Discrete Element Modeling Method

Directory of Open Access Journals (Sweden)

Maitraye Sen

2017-04-01

Full Text Available A discrete element model (DEM has been developed for an industrial batch bin blender in which three different types of materials are mixed. The mixing dynamics have been evaluated from a model-based study with respect to the blend critical quality attributes (CQAs which are relative standard deviation (RSD and segregation intensity. In the actual industrial setup, a sensor mounted on the blender lid is used to determine the blend composition in this region. A model-based analysis has been used to understand the mixing efficiency in the other zones inside the blender and to determine if the data obtained near the blender-lid region are able to provide a good representation of the overall blend quality. Sub-optimal mixing zones have been identified and other potential sampling locations have been investigated in order to obtain a good approximation of the blend variability. The model has been used to study how the mixing efficiency can be improved by varying the key processing parameters, i.e., blender RPM/speed, fill level/volume and loading order. Both segregation intensity and RSD reduce at a lower fill level and higher blender RPM and are a function of the mixing time. This work demonstrates the use of a model-based approach to improve process knowledge regarding a pharmaceutical mixing process. The model can be used to acquire qualitative information about the influence of different critical process parameters and equipment geometry on the mixing dynamics.

Dynamic behavior of IREB in a collective ion acceleration experiment

International Nuclear Information System (INIS)

Fine, T.A.; Rhee, M.J.

1989-01-01

The authors report an experimental study of dynamic behavior of net current in conjunction with collective ion acceleration. In the presence of neutral gas, either puffed in or released from the anode foil, the IREB injected is subject to the charge and current neutralizations, resulting in a complicated time and space dependent beam distribution in the drift tube. To investigate the dynamic behavior of the current in the drift tube, typically a 0.5 MeV, 70 kA, 100 ns electron beam of 2.54 cm diam is injected through a foil anode into a drift tube of 15 cm diam. Reproducibility of experiment was improved by using a specially designed anode system with a foil changer which allowed the production of many shots of high current electron beam without disturbing the vacuum condition. The net currents were measured by a Rogowski coil built in the anode system, and a movable Faraday cup along the drift tube. The ions accelerated were diagnosed mainly by a Thomson spectrometer system placed at the end of the drift tube

Non-equilibrium surface conditions and microstructural changes following pulsed laser irradiation and ion beam mixing of Ni overlayers on sintered alpha-SiC

International Nuclear Information System (INIS)

More, K.L.; Davis, R.F.

1986-01-01

Pulsed laser irradiation and ion beam mixing of thin Ni overlayers on sintered alpha-SiC have been investigated as potential surface modification techniques for the enhancement of the mechanical properties of the SiC. Each of these surface processing methods are nonequilibrium techniques; materials interactions can be induced at the specimen surface which are not possible with conventional thermal techniques. As a result of the surface modification, the physical properties of the ceramic can be altered under the correct processing conditions. Following laser irradiation using a pulsed ruby or krypton fluoride (KrF) excimer laser, the fracture strength of the SiC was increased by approximately 50 percent and 20 percent, respectively. However, ion-beam mixing of Ni on SiC resulted in no change in fracture strength. Cross-sectional transmission electron microscopy, scanning electron microscopy, secondary ion mass spectroscopy, and Rutherford backscattering techniques, have been used to characterize the extent of mixing between the Ni and SiC as a result of the surface modification and to determine the reason(s) for the observed changes in fracture strength. 19 references

Dynamic rayed aurora and enhanced ion-acoustic radar echoes

Directory of Open Access Journals (Sweden)

E. M. Blixt

2005-01-01

Full Text Available The generation mechanism for naturally enhanced ion-acoustic echoes is still debated. One important issue is how these enhancements are related to auroral activity. All events of enhanced ion-acoustic echoes observed simultaneously with the EISCAT Svalbard Radar (ESR and with high-resolution narrow field-of-view auroral imagers have been collected and studied. Characteristic of all the events is the appearance of very dynamic rayed aurora, and some of the intrinsic features of these auroral displays are identified. Several of these identified features are directly related to the presence of low energy (10-100eV precipitating electrons in addition to the higher energy population producing most of the associated light. The low energy contribution is vital for the formation of the enhanced ion-acoustic echoes. We argue that this type of aurora is sufficient for the generation of naturally enhanced ion-acoustic echoes. In one event two imagers were used to observe the auroral rays simultaneously, one from the radar site and one 7km away. The data from these imagers shows that the auroral rays and the strong backscattering filaments (where the enhanced echoes are produced are located on the same field line, which is in contrast to earlier statements in the litterature that they should be separated.

Nano-memory-element applications of carbon nanocapsule encapsulating potassium ions: molecular dynamics study

International Nuclear Information System (INIS)

Kang, Jeong Won; Hwang, Ho Jung

2004-01-01

We investigated the internal dynamics of ionic fluidic shuttle memory elements consisting of potassium ions encapsulated in C 640 nanocapsules. The systems proposed were the encapsulated-ion shuttle memory devices such as (13 K + ) at C 640 , (3 K + -C 60 -2 K + ) at C 640 and (5 K + -C 60 ) at C 640 . The energetics and the operating responses of ionic fluidic shuttle memory devices, such as transitions between the two states of the C 640 capsule, were examined by using classical molecular dynamics simulations of the shuttle media in the C 640 capsule under external force fields. The operating force fields for stable operations of the shuttle memory device were investigated.

Bistable dynamics underlying excitability of ion homeostasis in neuron models.

Directory of Open Access Journals (Sweden)

Niklas Hübel

2014-05-01

Full Text Available When neurons fire action potentials, dissipation of free energy is usually not directly considered, because the change in free energy is often negligible compared to the immense reservoir stored in neural transmembrane ion gradients and the long-term energy requirements are met through chemical energy, i.e., metabolism. However, these gradients can temporarily nearly vanish in neurological diseases, such as migraine and stroke, and in traumatic brain injury from concussions to severe injuries. We study biophysical neuron models based on the Hodgkin-Huxley (HH formalism extended to include time-dependent ion concentrations inside and outside the cell and metabolic energy-driven pumps. We reveal the basic mechanism of a state of free energy-starvation (FES with bifurcation analyses showing that ion dynamics is for a large range of pump rates bistable without contact to an ion bath. This is interpreted as a threshold reduction of a new fundamental mechanism of ionic excitability that causes a long-lasting but transient FES as observed in pathological states. We can in particular conclude that a coupling of extracellular ion concentrations to a large glial-vascular bath can take a role as an inhibitory mechanism crucial in ion homeostasis, while the Na⁺/K⁺ pumps alone are insufficient to recover from FES. Our results provide the missing link between the HH formalism and activator-inhibitor models that have been successfully used for modeling migraine phenotypes, and therefore will allow us to validate the hypothesis that migraine symptoms are explained by disturbed function in ion channel subunits, Na⁺/K⁺ pumps, and other proteins that regulate ion homeostasis.

Hard photons a probe of the heavy ion collision dynamics

International Nuclear Information System (INIS)

Schutz, Y.

1994-01-01

Heavy-ion collisions have proven to be a unique tool to study the nucleus in extreme states, with values of energy, spin and isospin far away from those encountered in the nucleus in its ground state. Heavy-ion collisions provide also the only mean to form and study in the laboratory nuclear matter under conditions of density and temperature which could otherwise only be found in stellar objects like neutron stars and super-novae. the goal of such studies is to establish the equation of state of nuclear matter and the method consist in searching the collective behaviour in which heavy-ion collisions differ from a superposition of many nucleon-nucleon collisions. Among the various probes of collective effects, like flow, multifragmentation, or subthreshold particles, we have selected hard photons because they provide, together with dileptons, the only unperturbed probe of a phase of the collision well localized in space and time. The origin of hard photons, defined as the photons building up the spectrum beyond the energy of the giant dipole resonance (E γ > 30∼MeV), is attributed predominantly to the bremsstrahlung radiation emitted incoherently in individual neutron-proton collisions. Their energy reflects the combination of the beam momentum and the momenta induced by the Fermi motion of the nucleons within the collision zone. Therefore, at intermediate energies, hard photons probe the dynamical phase space distribution of participant nucleons and they convey information on the densities reached in heavy-ion collisions, the size and life time of the dense photon source and the compressibility of nuclear matter. The techniques we have developed include intensity interferometry and exclusive measurements scanning with high resolution the whole range of impact parameters. The interpretation of our data is guided by dynamical phase space calculations of the BUU type

Analysis methods for fast impurity ion dynamics data

International Nuclear Information System (INIS)

Den Hartog, D.J.; Almagri, A.F.; Prager, S.C.; Fonck, R.J.

1994-08-01

A high resolution spectrometer has been developed and used on the MST reversed-field pinch (RFP) to measure passively impurity ion temperatures and flow velocities with 10 μs temporal resolution. Such measurements of MHD-scale fluctuations are particularly relevant in the RFP because the flow velocity fluctuation induced transport of current (the ''MHD dynamo'') may produce the magnetic field reversal characteristic of an RFP. This instrument will also be used to measure rapid changes in the equilibrium flow velocity, such as occur during locking and H-mode transition. The precision of measurements made to date is <0.6 km/s. The authors are developing accurate analysis techniques appropriate to the reduction of this fast ion dynamics data. Moment analysis and curve-fitting routines have been evaluated for noise sensitivity and robustness. Also presented is an analysis method which correctly separates the flux-surface average of the correlated fluctuations in u and B from the fluctuations due to rigid shifts of the plasma column

Multicharged Ion-induced simple molecule fragmentation dynamics; Dynamique de la fragmentation de molecules simples induite par impact d'ion multicharge

Energy Technology Data Exchange (ETDEWEB)

Tarisien, M

2003-10-01

The aim of this work is to study the dynamics of swift multicharged ion-induced fragmentation of diatomic (CO) and triatomic (CO{sub 2}) molecules. Performed at the GANIL facility, this study used the Recoil Ion Momentum Spectroscopy technique (RIMS), which consists of a time-of-flight mass spectrometer, coupled with a multi-hit capability position sensitive detector (delay line anode). The high-resolution measurement of the kinetic energy distribution released (KER) during the CO fragmentation points out the limitation of the Coulomb Explosion Model, revealing, for example, the di-cation CO{sub 2}{sup +} electronic state contribution in the case of C{sup +}/O{sup +} fragmentation pathway. Furthermore, the multi-ionization cross section dependence with the orientation of the internuclear axis of CO is compared with a geometrical model calculation. Finally, different behaviours are observed for the dissociation dynamics of a triatomic molecule (CO{sub 2}). While triple ionization leads mainly to a synchronous concerted fragmentation dynamics, a weak fraction of dissociating molecule follows a sequential dynamics involving CO{sub 2}{sup +} metastable states. In the case of double ionization, (CO{sub 2}){sup 2+} di-cation dissociation dynamics is asynchronously concerted and has been interpreted using a simple model involving an asymmetrical vibration of the molecule. (author)

Dosimetry measurements using Timepix in mixed radiation fields induced by heavy ions; comparison with standard dosimetry methods

Czech Academy of Sciences Publication Activity Database

Ploc, Ondřej; Kubančák, Ján; Sihver, L.; Uchihori, Y.; Jakoubek, J.; Ambrožová, Iva; Molokanov, A. G.; Pinsky, L.

2014-01-01

Roč. 55, S1 (2014), i141-i142 ISSN 0449-3060 R&D Projects: GA MŠk(CZ) LG13031; GA MŠk LG14004 Institutional support: RVO:61389005 Keywords : LET spectrometry * heavy ions * mixed radiation field * pixel detector Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.797, year: 2014

A Throughfall Collection Method Using Mixed Bed Ion Exchange Resin Columns

Directory of Open Access Journals (Sweden)

Mark E. Fenn

2002-01-01

Full Text Available Measurement of ionic deposition in throughfall is a widely used method for measuring deposition inputs to the forest floor. Many studies have been published, providing a large database of throughfall deposition inputs to forests. However, throughfall collection and analysis is labor intensive and expensive because of the large number of replicate collectors needed and because sample collection and chemical analyses are required on a stochastic precipitation event-based schedule. Therefore we developed and tested a throughfall collector system using a mixed bed ion exchange resin column. We anticipate that this method will typically require only one to three samplings per year. With this method, bulk deposition and bulk throughfall are collected by a funnel or snow tube and ions are retained as the solution percolates through the resin column. Ions retained by the resin are then extracted in the same column with 2N KCl and analyzed for nitrate and ammonium. Deposition values in throughfall from conventional throughfall solution collectors and colocated ion exchange samplers were not significantly different during consecutive 3- and 4-month exposure periods at a high (Camp Paivika; >35 kg N ha-1 year-1 and a low deposition (Barton Flats; 5–9 kg N ha-1 year-1 site in the San Bernardino Mountains in southern California. N deposition in throughfall under mature pine trees at Camp Paivika after 7 months of exposure was extremely high (87 and 92 kg ha-1 based on the two collector types compared to Barton Flats (11 and 13 kg ha-1. A large proportion of the N deposited in throughfall at Camp Paivika occurred as fog drip, demonstrating the importance of fog deposition as an input source of N at this site. By comparison, bulk deposition rates in open areas were 5.1 and 5.4 kg ha-1 at Camp Paivika based on the two collector types, and 1.9 and 3.0 kg ha-1 at Barton Flats.

Effects of Energetic Ion Outflow on Magnetospheric Dynamics

Science.gov (United States)

Kistler, L. M.; Mouikis, C.; Lund, E. J.; Menz, A.; Nowrouzi, N.

2016-12-01

There are two dominant regions of energetic ion outflow: the nightside auroral region and the dayside cusp. Processes in these regions can accelerate ions up to keV energies. Outflow from the nightside has direct access to the plasma sheet, while outflow from the cusp is convected over the polar cap and into the lobes. The cusp population can enter the plasma sheet from the lobe, with higher energy ions entering further down the tail than lower energy ions. During storm times, the O+ enhanced plasma sheet population is convected into the inner magnetosphere. The plasma that does not get trapped in the inner magnetosphere convects to the magnetopause where reconnection is taking place. An enhanced O+ population can change the plasma mass density, which may have the effect of decreasing the reconnection rate. In addition O+ has a larger gyroradius than H+ at the same velocity or energy. Because of this, there are larger regions where the O+ is demagnetized, which can lead to larger acceleration because the O+ can move farther in the direction of the electric field. In this talk we will review results from Cluster, Van Allen Probes, and MMS, on how outflow from the two locations affects magnetospheric dynamics. We will discuss whether enhanced O+ from either population has an effect on the reconnection rate in the tail or at the magnetopause. We will discuss how the two populations impact the inner magnetosphere during storm times. And finally, we will discuss whether either population plays a role in triggering substorms, particularly during sawtooth events.

Phase transition dynamics in ultrarelativistic heavy ion collisions

International Nuclear Information System (INIS)

Csernai, L.P.; Zabrodin, E.E.; Moscow State Univ.

1993-01-01

We investigate various problems related to the dynamics of a first-order phase transition from quarkgluon plasma to hadronic matter in ultra-relativistic heavy ion collisions. These include nucleation, growth and fusion of hadronic bubbles in either the Bjorken longitudinal hydrodynamic expansion model or the Cooper-Frye-Schonberg spherical hydrodynamic expansion model. With reasonable input parameters the conversion of one phase into the other is relatively close to the idealized adiabatic Maxwell construction, although one can choose parameters such that the conversion is strongly out of equilibrium. (orig.)

Phase transition dynamics in ultrarelativistic heavy ion collisions

International Nuclear Information System (INIS)

Csernai, L.P.; Kapusta, J.I.; Kluge, Gy.; Hungarian Academy of Sciences, Budapest; Zabrodin, E.E.; Moskovskij Gosudarstvennyj Univ., Moscow

1992-12-01

Various problems were investigated concerning the dynamics of a first-order phase transition from quark-gluon plasma to hadronic matter in ultra-relativistic heavy ion collisions. These include nucleation, growth and fusion of hadronic bubbles in either the Bjorken longitudinal hydrodynamic expansion model or the Cooper-Frye-Schonberg spherical hydrodynamic expansion model. With reasonable input parameters the conversion of one phase into the other is relatively close to the idealized adiabatic Maxwell construction, although one can choose parameters such that the conversion is strongly out of equilibrium. (author) 10 refs.; 7 figs

Scalar mixing and strain dynamics methodologies for PIV/LIF measurements of vortex ring flows

OpenAIRE

Bouremel, Y.; Ducci, A.

2017-01-01

Fluid mixing operations are central to possibly all chemical, petrochemical, and pharmaceutical industries either being related to biphasic blending in polymerisation processes, cell suspension for biopharmaceuticals production, and fractionation of complex oil mixtures. This work aims at providing a fundamental understanding of the mixing and stretching dynamics occurring in a reactor in the presence of a vortical structure, and the vortex ring was selected as a flow paradigm of vortices com...

Ion beam dynamics in the acceleration region of the Vincy Cyclotron

International Nuclear Information System (INIS)

Tomic, S.; Samsonov, E.

1998-01-01

Modern concept of heavy ion cyclotrons assumes a tendency of decreasing the gaps between magnet poles, enabling better efficiency of the magnetic field circuit. This restricts possible solutions of acceleration structure and imposes the necessity of installing the dees in valleys of magnetic structures. This approach, which is accepted in the VINCY Cyclotron, requires a detailed study of the ion beam dynamics in the acceleration region. Consequently, we analyzed ion beams with eta = 1,05 and 0.25 in radial and axial phase space. Also, the energy spread in emittances and the influence of the first harmonic of the magnetic field on the radial betatron oscillations are discussed. The transformation of coherent into incoherent radial oscillations as well as the effect to radial off-centering on the beam vertical size at Walkinshaw resonance location, is pointed out (author)

Amorphization of metals by ion implantation and ion beam mixing

International Nuclear Information System (INIS)

Rauschenbach, B.; Heera, V.

1988-01-01

Amorphous metallic systems can be formed either by high-fluence ion implantation of glassforming species or by irradiation of layered metal systems with inert gas ions. Both techniques and experimental examples are presented. Empirical rules are discussed which predict whether a given system can be transformed into an amorphous phase. Influence of temperature, implantation dose and pre-existing crystalline metal composition on amorphization is considered. Examples are given of the implantation induced amorphous structure, recrystallization and formation of quasicrystalline structures. (author)

Electric force on plasma ions and the momentum of the ion-neutrals flow

Science.gov (United States)

Makrinich, G.; Fruchtman, A.; Zoler, D.; Boxman, R. L.

2018-05-01

The electric force on ions in plasma and the momentum flux carried by the mixed ion-neutral flow were measured and found to be equal. The experiment was performed in a direct-current gas discharge of cylindrical geometry with applied radial electric field and axial magnetic field. The unmagnetized plasma ions, neutralized by magnetized electrons, were accelerated radially outward transferring part of the gained momentum to neutrals. Measurements were taken for various argon gas flow rates between 13 and 100 Standard Cubic Centimeter per Minute, for a discharge current of 1.9 A and a magnetic field intensity of 136 G. The plasma density, electron temperature, and plasma potential were measured at various locations along the flow. These measurements were used to determine the local electric force on the ions. The total electric force on the plasma ions was then determined by integrating radially the local electric force. In parallel, the momentum flux of the mixed ion-neutral flow was determined by measuring the force exerted by the flow on a balance force meter (BFM). The maximal plasma density was between 6 × 1010 cm-3 and 5 × 1011 cm-3, the maximal electron temperature was between 8 eV and 25 eV, and the deduced maximal electric field was between 2200 V/m and 5800 V/m. The force exerted by the mixed ion-neutral flow on the BFM agreed with the total electric force on the plasma ions. This agreement showed that it is the electric force on the plasma ions that is the source of the momentum acquired by the mixed ion-neutral flow.

Recoil mixing in high-fluence ion implantation

International Nuclear Information System (INIS)

Littmark, U.; Hofer, W.O.

1979-01-01

The effect of recoil mixing on the collection and depth distribution of implanted projectiles during high-fluence irradiation of a random solid is investigated by model calculations based on a previously published transport theoretical approach to the general problem of recoil mixing. The most pronounced effects are observed in the maximum implantable amount of projectiles and in the critical fluence for saturation. Both values are significantly increased by recoil mixing. (Auth.)

Dynamic magnetic behavior of the mixed-spin bilayer system in an oscillating field within the mean-field theory

International Nuclear Information System (INIS)

Ertaş, Mehmet; Keskin, Mustafa

2012-01-01

The dynamic magnetic behavior of the mixed Ising bilayer system (σ=2 and S=5/2), with a crystal-field interaction in an oscillating field are studied, within the mean-field approach, by using the Glauber-type stochastic dynamics for both ferromagnetic/ferromagnetic and antiferromagnetic/ferromagnetic interactions. The time variations of average magnetizations and the temperature dependence of the dynamic magnetizations are investigated. The dynamic phase diagrams are presented in the reduced temperature and magnetic field amplitude plane and they exhibit several ordered phases, coexistence phase regions and critical points as well as a re-entrant behavior depending on interaction parameters. -- Highlights: ► Dynamic magnetic behavior of the mixed Ising bilayer system is investigated within the Glauber-type stochastic dynamics. ► The time variations of average magnetizations are studied to find the phases. ► The temperature dependence of the dynamic magnetizations is investigated to obtain the dynamic phase transition points. ► The dynamic phase diagrams are presented and they exhibit several ordered phases, coexistence phase regions and critical points as well as a re-entrant behavior.

Dynamic magnetic behavior of the mixed-spin bilayer system in an oscillating field within the mean-field theory

Energy Technology Data Exchange (ETDEWEB)

Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

2012-07-23

The dynamic magnetic behavior of the mixed Ising bilayer system (σ=2 and S=5/2), with a crystal-field interaction in an oscillating field are studied, within the mean-field approach, by using the Glauber-type stochastic dynamics for both ferromagnetic/ferromagnetic and antiferromagnetic/ferromagnetic interactions. The time variations of average magnetizations and the temperature dependence of the dynamic magnetizations are investigated. The dynamic phase diagrams are presented in the reduced temperature and magnetic field amplitude plane and they exhibit several ordered phases, coexistence phase regions and critical points as well as a re-entrant behavior depending on interaction parameters. -- Highlights: ► Dynamic magnetic behavior of the mixed Ising bilayer system is investigated within the Glauber-type stochastic dynamics. ► The time variations of average magnetizations are studied to find the phases. ► The temperature dependence of the dynamic magnetizations is investigated to obtain the dynamic phase transition points. ► The dynamic phase diagrams are presented and they exhibit several ordered phases, coexistence phase regions and critical points as well as a re-entrant behavior.

Coherent-potential approximation for the lattice vibrations of mixed III-V crystals

International Nuclear Information System (INIS)

Kleinert, P.

1984-01-01

The coherent-potential approximation (CPA) is applied to the lattice dynamics of some III-V mixed crystals. The calculations are based on an eleven-parameter rigid-ion model (RIM 11). Explicit results are reported for the one-mode system In/sub 1-c/Ga/sub c/P and the two mixed-mode crystals In/sub 1-c/Ga/sub c/Sb and GaSb/sub 1-c/As/sub c/. Both, the reflectivity spectra and the composition dependence of vibrations at the GAMMA and X points are compared with existing experimental data. Force-constant changes are considered by the virtual-crystal approximation (VCA). The CPA theory is uniquely successful for III-V mixed-mode systems, which appear to switch from one-mode to two-mode behaviour. (author)

Slip band distribution and morphology in cyclically deformed nickel polycrystals with ion beam mixed surface films

International Nuclear Information System (INIS)

Grummon, D.S.; Jones, J.W.; Eridon, J.; Was, G.S.; Rehn, L.E.

1986-08-01

It is shown that surface modification by ion beam mixing produces potentially beneficial effects on cyclic deformation phenomena associated with fatigue crack initiation. The principal effects of the modifications are to suppress the formation of the notch-peak surface topography of persistent slip bands (PSBs) and inhibit the net extrusion of PSBs from the free surface. The dominant ''failure mode'' of the surface is changed from extrusion and notch formation to surface film rupture

An experiment on the dynamics of ion implantation and sputtering of surfaces

Energy Technology Data Exchange (ETDEWEB)

Wright, G. M.; Barnard, H. A.; Kesler, L. A.; Peterson, E. E.; Stahle, P. W.; Sullivan, R. M.; Whyte, D. G.; Woller, K. B. [Plasma Science and Fusion Center, MIT, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States)

2014-02-15

A major impediment towards a better understanding of the complex plasma-surface interaction is the limited diagnostic access to the material surface while it is undergoing plasma exposure. The Dynamics of ION Implantation and Sputtering Of Surfaces (DIONISOS) experiment overcomes this limitation by uniquely combining powerful, non-perturbing ion beam analysis techniques with a steady-state helicon plasma exposure chamber, allowing for real-time, depth-resolved in situ measurements of material compositions during plasma exposure. Design solutions are described that provide compatibility between the ion beam analysis requirements in the presence of a high-intensity helicon plasma. The three primary ion beam analysis techniques, Rutherford backscattering spectroscopy, elastic recoil detection, and nuclear reaction analysis, are successfully implemented on targets during plasma exposure in DIONISOS. These techniques measure parameters of interest for plasma-material interactions such as erosion/deposition rates of materials and the concentration of plasma fuel species in the material surface.

An experiment on the dynamics of ion implantation and sputtering of surfaces

International Nuclear Information System (INIS)

Wright, G. M.; Barnard, H. A.; Kesler, L. A.; Peterson, E. E.; Stahle, P. W.; Sullivan, R. M.; Whyte, D. G.; Woller, K. B.

2014-01-01

A major impediment towards a better understanding of the complex plasma-surface interaction is the limited diagnostic access to the material surface while it is undergoing plasma exposure. The Dynamics of ION Implantation and Sputtering Of Surfaces (DIONISOS) experiment overcomes this limitation by uniquely combining powerful, non-perturbing ion beam analysis techniques with a steady-state helicon plasma exposure chamber, allowing for real-time, depth-resolved in situ measurements of material compositions during plasma exposure. Design solutions are described that provide compatibility between the ion beam analysis requirements in the presence of a high-intensity helicon plasma. The three primary ion beam analysis techniques, Rutherford backscattering spectroscopy, elastic recoil detection, and nuclear reaction analysis, are successfully implemented on targets during plasma exposure in DIONISOS. These techniques measure parameters of interest for plasma-material interactions such as erosion/deposition rates of materials and the concentration of plasma fuel species in the material surface

Study on the dynamic performance of concrete mixer's mixing drum

Directory of Open Access Journals (Sweden)

J. Yang

2017-06-01

Full Text Available When working, the geometric distribution shape of concrete in concrete mixing truck's rotary drum changes continuously, which cause a great difficulty for studying the dynamic performance of the mixing drum. In this paper, the mixing system of a certain type of concrete mixing truck is studied. A mathematical formulation has been derived through the force analysis to calculate the supporting force. The calculation method of the concrete distribution shape in the rotary drum is developed. A new transfer matrix is built with considering the concrete geometric distribution shape. The effects of rotating speed, inclination angle and concrete liquid level on the vibration performance of the mixing drum are studied with a specific example. Results show that with the increase of rotating speed, the vibration amplitude of the mixing drum decreases. The peak amplitude gradually moves to the right with the inclination angle increasing. The amplitude value of the peak's left side decreases when tilt angle increases, while the right side increases. The maximum unbalanced response amplitude of the drum increases with the decrease of concrete liquid level height, and the vibration peak moves to the left.

Crystal structure and dynamics of K2-x(NH4)xSeO4 mixed crystals studied by x-ray and neutron scattering

International Nuclear Information System (INIS)

Smirnov, L.S.; Natkaniec, I.; Loose, A.

2006-01-01

The K 2-x (NH 4 ) x SeO 4 mixed crystals have been studied by powder X-ray and neutron diffraction and inelastic incoherent neutron scattering in a wide temperature range from 300 to 16 K. No phase transition is observed in (NH 4 ) 2 SeO 4 in the range from room temperature to 20 K. The reorientation potential barriers of ammonium ions in the K 2-x (NH 4 ) x SeO 4 mixed crystals increase with the increasing concentration of ammonium ions

The effect of six week mixed exercise (power & plyometric of dynamic balance in Takhti school physical education students in Babol city

Directory of Open Access Journals (Sweden)

Mohammadbagher Forghani

2015-09-01

Full Text Available The purpose of this research was the considering of the effect of six week mixed exercise (power & plyometric of dynamic balance in Takhti school physical education students in Babol city. 60 male athlete students (physical education, without record of injury in lower organs, head & auricle disorders voluntarily participated in this research and randomly divided into two 15 individual groups (first group: power exercise; second group: plyometric exercise; third group: mixed exercise (power and plyometric and forth group: control group. The day before the performing of the six weeks exercise program, dynamic balance of examined students measured by Star Excursion Balance test (SEBT. During the six weeks that exercise group did their special exercises, the control group was asked to keep their daily body exercises and their own exercise. The day after the exercise period finished, the dynamic balance of examined students measured. Descriptive statistics one variable variance analyzes and perspective Tukey test in meaning level α≤0/05 used for statistical analyze. The results showed that power exercise, plyometric and mixed, caused meaningful increasing of examined students success distance in all eight aspects of SEBT. According to the results of the research, the   use of mixed exercise, plyometric and power (specially mixed exercises is suggested in order to decrease the probability of injury and the improvement of athlete’s dynamic balance.  . Keywords: Power Exercise, Plyometric Exercise, Mixed Exercise, Dynamic Balance

Biodegradation at Dynamic Plume Fringes: Mixing Versus Reaction Control

Science.gov (United States)

Cirpka, O. A.; Eckert, D.; Griebler, C.; Haberer, C.; Kürzinger, P.; Bauer, R.; Mellage, A.

2014-12-01

Biodegradation of continuously emitted plumes is known to be most pronounced at the plume fringe, where mixing of contaminated water and ambient groundwater, containing dissolved electron acceptors, stimulates microbial activity. Under steady-state conditions, physical mixing of contaminant and electron acceptor by transverse dispersion was shown to be the major bottleneck for biodegradation, with plume lengths scaling inversely with the bulk transverse dispersivity in quasi two-dimensional settings. Under these conditions, the presence of suitable microbes is essential but the biokinetic parameters do not play an important role. When the location of the plume shifts (caused, e.g., by a fluctuating groundwater table), however, the bacteria are no more situated at the plume fringe and biomass growth, decay, activation and deactivation determine the time lag until the fringe-controlled steady state is approached again. During this time lag, degradation is incomplete. The objective of the presented study was to analyze to which extent flow and transport dynamics diminish effectiveness of fringe-controlled biodegradation and which microbial processes and related biokinetic parameters determine the system response in overall degradation to hydraulic fluctuations. We performed experiments in quasi-two-dimensional flow through microcosms on aerobic toluene degradation by Pseudomonas putida F1. Plume dynamics were simulated by vertical alteration of the toluene plume position and experimental results were analyzed by reactive-transport modeling. We found that, even after disappearance of the toluene plume for two weeks, the majority of microorganisms stayed attached to the sediment and regained their full biodegradation potential within two days after reappearance of the toluene plume. Our results underline that besides microbial growth and maintenance (often subsumed as "biomass decay") microbial dormancy (that is, change into a metabolically inactive state) and

Beam dynamics studies of the Heavy Ion Fusion Accelerator injector

International Nuclear Information System (INIS)

Henestroza, E.; Yu, S.S.; Eylon, S.

1995-04-01

A driver-scale injector for the Heavy Ion Fusion Accelerator project has been built at LBL. This machine has exceeded the design goals of high voltage (> 2 MV), high current (> 0.8 A of K + ) and low normalized emittance (< 1 π mm-mr). The injector consists of a 750 keV diode pre-injector followed by an electrostatic quadrupole accelerator (ESQ) which provides strong (alternating gradient) focusing for the space-charge dominated beam and simultaneously accelerates the ions to 2 MeV. The fully 3-D PIC code WARP together with EGUN and POISSON were used to design the machine and analyze measurements of voltage, current and phase space distributions. A comparison between beam dynamics characteristics as measured for the injector and corresponding computer calculations will be presented

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.

Mixing of III-V compound semiconductor superlattices

International Nuclear Information System (INIS)

Mei, Ping.

1989-01-01

In this work, the methods as well as mechanisms of III-V compound superlattice mixing are discussed, with particular attention on the AlGaAs based superlattice system. Comparative studies of ion-induced mixing showed two distinct effects resulting from ion implantation followed by a thermal anneal; i.e. collisional mixing and impurity induced mixing. It was found that Ga and As ion induced mixing are mainly due to the collisional effect, where the extent of the mixing can be estimated theoretically, with the parameters of ion mass, incident energy and the implant dose. The impurity effect was dominant for Si, Ge, Be, Zn and Te. Quantitative studies of impurity induced mixing have been conducted on samples doped with Si or Te during the growth process. It was discovered that Si induced AlGaAs superlattice mixing yielded an activation energy of approximately 4 eV for the Al diffusion coefficient with a high power law dependence of the prefactor on the Si concentration. In the Te doped AlGaAs superlattice the Al diffusion coefficient exhibited an activation energy of ∼3.0 eV, with a prefactor approximately proportional to the Te concentration. These results are of importance in examining the current diffusion models. Zn and Si induced InP/InGaAs superlattice mixing are examined. It was found that Zn predominantly induces cation interdiffusion, while Si induces comparable cation and anion interdiffusion. In addition, widely dispersed Zn rich islands form with Zn residing in the InP layers in the form of Zn 3 P 2 . With unstrained starting material, the layer bandgap disparity increases due to mixing induced strain, while in the Si diffused sample the mixed region would be expected to exhibit bandgaps intermediate between those of the original layers. Semiconductor superlattice mixing shows technological potential for optoelectronic device fabrication

Measurements of fast ion spatial dynamics during magnetic activity in the RFP

Science.gov (United States)

Goetz, J. A.; Anderson, J. K.; Bonofiglo, P.; Kim, J.; McConnell, R.; Magee, R. M.

2017-10-01

Fast ions in the RFP are only weakly affected by a stochastic magnetic field and behave nearly classically in concentration too low to excite Alfvenic activity. At high fast ion concentration sourced by H-NBI in 300kA RFP discharges, a substantial drop in core-localized high pitch fast ions is observed during bursts of coupled EPM and IAE (magnetic island-induced Alfven eigenmode) activity (100-200kHz) through neutral particle analysis. Sourcing instead fast deuterium with NBI, the DD fusion products can measure the dynamics of the fast ion density profile. Both a collimated neutron detector and a new 3MeV fusion proton detector loaned by TriAlpha Energy measure the fast ion density profile with 5cm spatial resolution and 100 μs temporal resolution. In D-NBI, the bursting EPM is excited at slightly lower frequency and the IAE activity is nearly absent, likely due to an isotope effect and loss of wave-particle interaction. In these cases, neutral particle analysis shows little change in the core-localized high pitch fast ion content, and the fusion product profile indicates little change in the fast ion density profile, leaving unexplained the mechanism removing EPM drive. We measure a substantial redistribution of the fast ion profile due to strong lower-frequency ( 30kHz) MHD activity that accompanies the current profile relaxation in the RFP. Profile flattening is strongest in low bulk density discharges, which often occur with a total increase in global neutron flux from acceleration of the beam ions. Work supported by US DoE.

BEAM DYNAMICS STUDIES FOR A COMPACT CARBON ION LINAC FOR THERAPY

Energy Technology Data Exchange (ETDEWEB)

Plastun, A.; Mustapha, B.; Nassiri, A.; Ostroumov, P.

2016-05-01

Feasibility of an Advanced Compact Carbon Ion Linac (ACCIL) for hadron therapy is being studied at Argonne National Laboratory in collaboration with RadiaBeam Technologies. The 45-meter long linac is designed to deliver 109 carbon ions per second with variable energy from 45 MeV/u to 450 MeV/u. S-band structure provides the acceleration in this range. The carbon beam energy can be adjusted from pulse to pulse, making 3D tumor scanning straightforward and fast. Front end accelerating structures such as RFQ, DTL and coupled DTL are designed to operate at lower frequencies. The design of the linac was accompanied with extensive end-to-end beam dynamics studies which are presented in this paper.

Numerical simulations of mixing conditions and aerosol dynamics in the CERN CLOUD chamber

CERN Document Server

Voigtländer, J; Rondo, L; Kürten, A; Stratmann, F

2012-01-01

To study the effect of galactic cosmic rays on aerosols and clouds, the Cosmics Leaving OUtdoor Droplets (CLOUD) project was established. Experiments are carried out at a 26.1 m3 tank at CERN (Switzerland). In the experiments, the effect of ionizing radiation on H2SO4 particle formation and growth is investigated. To evaluate the experimental configuration, the experiment was simulated using a coupled multidimensional computational fluid dynamics (CFD) – particle model. In the model the coupled fields of gas/vapor species, temperature, flow velocity and particle properties were computed to investigate mixing state and mixing times of the CLOUD tank's contents. Simulation results show that a 1-fan configuration, as used in first experiments, may not be sufficient to ensure a homogeneously mixed chamber. To mix the tank properly, two fans and sufficiently high fan speeds are necessary. The 1/e response times for instantaneous changes of wall temperature and saturation ratio were found to be in the order of fe...

Parallel detection, quantification, and depth profiling of peptides with dynamic-secondary ion mass spectrometry (D-SIMS) ionized by C{sub 60}{sup +}-Ar{sup +} co-sputtering

Energy Technology Data Exchange (ETDEWEB)

Chang, Chi-Jen [Department of Materials Science and Engineering, National Taiwan University, Taipei 106, Taiwan (China); Chang, Hsun-Yun; You, Yun-Wen; Liao, Hua-Yang [Research Center for Applied Sciences, Academia Sinica, Taipei 115, Taiwan (China); Kuo, Yu-Ting; Kao, Wei-Lun; Yen, Guo-Ji; Tsai, Meng-Hung [Department of Materials Science and Engineering, National Taiwan University, Taipei 106, Taiwan (China); Shyue, Jing-Jong, E-mail: shyue@gate.sinica.edu.tw [Department of Materials Science and Engineering, National Taiwan University, Taipei 106, Taiwan (China); Research Center for Applied Sciences, Academia Sinica, Taipei 115, Taiwan (China)

2012-03-09

Highlights: Black-Right-Pointing-Pointer Multiple peptides are detected and quantified at the same time without labeling. Black-Right-Pointing-Pointer C{sub 60}{sup +} ion is responsible for generating molecular-specific ions at high mass. Black-Right-Pointing-Pointer The co-sputtering yielded more steady depth profile and more well defined interface. Black-Right-Pointing-Pointer The fluence of auxiliary Ar{sup +} does not affect the quantification curve. Black-Right-Pointing-Pointer The damage from Ar{sup +} is masked by high sputtering yield of C{sub 60}{sup +}. - Abstract: Time-of-flight secondary ion mass spectrometry (ToF-SIMS) using pulsed C{sub 60}{sup +} primary ions is a promising technique for analyzing biological specimens with high surface sensitivities. With molecular secondary ions of high masses, multiple molecules can be identified simultaneously without prior separation or isotope labeling. Previous reports using the C{sub 60}{sup +} primary ion have been based on static-SIMS, which makes depth profiling complicated. Therefore, a dynamic-SIMS technique is reported here. Mixed peptides in the cryoprotectant trehalose were used as a model for evaluating the parameters that lead to the parallel detection and quantification of biomaterials. Trehalose was mixed separately with different concentrations of peptides. The peptide secondary ion intensities (normalized with respect to those of trehalose) were directly proportional to their concentration in the matrix (0.01-2.5 mol%). Quantification curves for each peptide were generated by plotting the percentage of peptides in trehalose versus the normalized SIMS intensities. Using these curves, the parallel detection, identification, and quantification of multiple peptides was achieved. Low energy Ar{sup +} was used to co-sputter and ionize the peptide-doped trehalose sample to suppress the carbon deposition associated with C{sub 60}{sup +} bombardment, which suppressed the ion intensities during the depth

Nuclear quantum many-body dynamics: from collective vibrations to heavy-ion collisions

International Nuclear Information System (INIS)

Simenel, Cedric

2012-01-01

This report gives a summary of my research on nuclear dynamics during the past ten years. The choice of this field has been motivated by the desire to understand the physics of complex systems obeying quantum mechanics. In particular, the interplay between collective motion and single-particle degrees of freedom is a source of complex and fascinating behaviours. For instance, giant resonances are characterised by a collective vibration of many nucleons, but their decay may occur by the emission of a single nucleon. Another example could be taken from the collision of nuclei where the transfer of few nucleons may have a strong impact on the formation of a compound system is non trivial. To describe these complex systems, one needs to solve the quantum many-body problem. The description of the dynamics of composite systems can be very challenging, especially when two such systems interact. An important goal of nuclear physics is to find a unified way to describe the dynamics of nuclear systems. Ultimately, the same theoretical model should be able to describe vibrations, rotations, fission, all the possible outcomes of heavy-ion collisions (elastic and inelastic scattering, particle transfer, fusion, and multifragmentation), and even the dynamics of neutron star crust. This desire for a global approach to nuclear dynamics has strongly influenced my research activities. In particular, all the numerical applications presented in this report have been obtained from few numerical codes solving equations derived from the same variational principle. Beside the quest for a unified model of nuclear dynamics, possible applications of heavy-ion collisions such as the formation of new nuclei is also a strong motivation for the experimental and theoretical studies of reaction mechanisms. This report is not a review article, but should be considered as a reading guide of the main papers my collaborators and myself have published. It also gives the opportunity to detail some

A Comparison and Integration of MiSeq and MinION Platforms for Sequencing Single Source and Mixed Mitochondrial Genomes.

Directory of Open Access Journals (Sweden)

Michael R Lindberg

Full Text Available Single source and multiple donor (mixed samples of human mitochondrial DNA were analyzed and compared using the MinION and the MiSeq platforms. A generalized variant detection strategy was employed to provide a cursory framework for evaluating the reliability and accuracy of mitochondrial sequences produced by the MinION. The feasibility of long-read phasing was investigated to establish its efficacy in quantitatively distinguishing and deconvolving individuals in a mixture. Finally, a proof-of-concept was demonstrated by integrating both platforms in a hybrid assembly that leverages solely mixture data to accurately reconstruct full mitochondrial genomes.

Dynamic plasma screening effects on semiclassical inelastic electron endash ion collisions in dense plasmas

International Nuclear Information System (INIS)

Jung, Y.

1997-01-01

In dense plasmas, dynamic plasma screening effects are investigated on 1s→2p dipole transition probabilities for electron-impact excitation of hydrogenic ions. The electron endash ion interaction potential is considered by introduction of the plasma dielectric function. A semiclassical straight-line trajectory method is applied to the path of the projectile electron in order to visualize the semiclassical transition probability as a function of the impact parameter, projectile energy, and plasma parameters. The transition probability including the dynamic plasma screening effect is always greater than that including the static plasma screening effect. When the projectile velocity is smaller than the electron thermal velocity, the dynamic polarization screening effect becomes the static plasma screening effect. When the projectile velocity is greater than the electron thermal velocity, then the interaction potential is almost unshielded. The difference between the dynamic and static plasma screening effects is more significant for low-energy projectiles. It is also found that the static plasma screening formula obtained by the Debye endash Hueckel model overestimates the plasma screening effects on the atomic excitation processes in dense plasmas. copyright 1997 American Institute of Physics

Flow and active mixing have a strong impact on bacterial growth dynamics in the proximal large intestine

Science.gov (United States)

Cremer, Jonas; Segota, Igor; Yang, Chih-Yu; Arnoldini, Markus; Groisman, Alex; Hwa, Terence

2016-11-01

More than half of fecal dry weight is bacterial mass with bacterial densities reaching up to 1012 cells per gram. Mostly, these bacteria grow in the proximal large intestine where lateral flow along the intestine is strong: flow can in principal lead to a washout of bacteria from the proximal large intestine. Active mixing by contractions of the intestinal wall together with bacterial growth might counteract such a washout and allow high bacterial densities to occur. As a step towards understanding bacterial growth in the presence of mixing and flow, we constructed an in-vitro setup where controlled wall-deformations of a channel emulate contractions. We investigate growth along the channel under a steady nutrient inflow. Depending on mixing and flow, we observe varying spatial gradients in bacterial density along the channel. Active mixing by deformations of the channel wall is shown to be crucial in maintaining a steady-state bacterial population in the presence of flow. The growth-dynamics is quantitatively captured by a simple mathematical model, with the effect of mixing described by an effective diffusion term. Based on this model, we discuss bacterial growth dynamics in the human large intestine using flow- and mixing-behavior having been observed for humans.

DYNAMIC SIMULATION AND COMPOSITION CONTROL IN A 10 L MIXING TANK

Directory of Open Access Journals (Sweden)

Yulius Deddy Hermawan

2012-11-01

Full Text Available The open loop experiment of composition dynamic in a 10 L mixing tank has been successfully done inlaboratory. A 10 L tank was designed for mixing of water (as a stream-1 and salt solution (as astream-2 with salt concentration, c2 constant. An electric stirrer was employed to obtain uniformcomposition in tank. In order to keep the liquid volume constant, the system was designed overflow. Inthis work, 2 composition control configurations have been proposed; they are Alternative-1 andAlternative-2. For Alternative-1, the volumetric-rate of stream-1 was chosen as a manipulatedvariable, while the volumetric-rate of stream-2 was chosen as a manipulated variable for Alternative-2. The composition control parameters for both alternatives have been tuned experimentally. Thevolumetric-rate of manipulated variable was changed based on step function. The outlet stream’scomposition response (c3 to a change in the input volumetric-rate has been investigated. Thisexperiment gave Proportional Integral Derivative (PID control parameters. The gain controllers Kc[cm6/(gr.sec] for Alternative-1 and Alternative-2 are -34200 and 40459 respectively. Integral timeconstant ( tI and Derivative time constant (tD for both alternatives are the same, i.e. tI = 16 second,and tD = 4 second. Furthermore, closed loop dynamic simulation using computer programming wasalso done to evaluate the resulted tuning parameters. The developed mathematical model ofcomposition control system in a mixing tank was solved numerically. Such mathematical model wasrigorously examined in Scilab software environment. The results showed that closed loop responses inPID control were faster than those in P and PI controls.

Shape mixing dynamics in the low-lying states of proton-rich Kr isotopes

International Nuclear Information System (INIS)

Sato, Koichi; Hinohara, Nobuo

2011-01-01

We study the oblate-prolate shape mixing in the low-lying states of proton-rich Kr isotopes using the five-dimensional quadrupole collective Hamiltonian. The collective Hamiltonian is derived microscopically by means of the CHFB (constrained Hartree-Fock-Bogoliubov) + Local QRPA (quasiparticle random phase approximation) method, which we have developed recently on the basis of the adiabatic self-consistent collective coordinate method. The results of the numerical calculation show the importance of large-amplitude collective vibrations in the triaxial shape degree of freedom and rotational effects on the oblate-prolate shape mixing dynamics in the low-lying states of these isotopes.

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical Dynamics.

Science.gov (United States)

Crespo-Otero, Rachel; Barbatti, Mario

2018-05-16

Nonadiabatic mixed quantum-classical (NA-MQC) dynamics methods form a class of computational theoretical approaches in quantum chemistry tailored to investigate the time evolution of nonadiabatic phenomena in molecules and supramolecular assemblies. NA-MQC is characterized by a partition of the molecular system into two subsystems: one to be treated quantum mechanically (usually but not restricted to electrons) and another to be dealt with classically (nuclei). The two subsystems are connected through nonadiabatic couplings terms to enforce self-consistency. A local approximation underlies the classical subsystem, implying that direct dynamics can be simulated, without needing precomputed potential energy surfaces. The NA-MQC split allows reducing computational costs, enabling the treatment of realistic molecular systems in diverse fields. Starting from the three most well-established methods-mean-field Ehrenfest, trajectory surface hopping, and multiple spawning-this review focuses on the NA-MQC dynamics methods and programs developed in the last 10 years. It stresses the relations between approaches and their domains of application. The electronic structure methods most commonly used together with NA-MQC dynamics are reviewed as well. The accuracy and precision of NA-MQC simulations are critically discussed, and general guidelines to choose an adequate method for each application are delivered.

Orientational order and dynamics of water in bulk and in aqueous solutions of uranyl ions

International Nuclear Information System (INIS)

Chopra, Manish; Choudhury, Niharendu

2014-01-01

Molecular dynamics simulations in canonical ensemble of aqueous solutions of uranyl nitrate and bulk water at ambient condition have been carried out to investigate orientational order and dynamics of water. The orientational distributions of water around a central water molecule in bulk water and around a uranyl ion in an aqueous uranyl solution have been calculated. Orientational dynamics of water in bulk and in aqueous uranyl nitrate solution have also been analysed. (author)

Temperature dynamics and velocity scaling laws for interchange driven, warm ion plasma filaments

DEFF Research Database (Denmark)

Olsen, Jeppe Miki Busk; Madsen, Jens; Nielsen, Anders Henry

2016-01-01

The influence of electron and ion temperature dynamics on the radial convection of isolated structures in magnetically confined plasmas is investigated by means of numerical simulations. It is demonstrated that the maximum radial velocity of these plasma blobs roughly follows the inertial velocity...

Dynamical and statistical aspects of intermediate energy heavy ion collisions

International Nuclear Information System (INIS)

Knoll, J.

1987-01-01

The lectures presented deal with three different topics relevant for the discussion of nuclear collisions at medium to high energies. The first lecture concerns a subject of general interest, the description of statistical systems and their dynamics by the concept of missing information. If presents an excellent scope to formulate statistical theories in such a way that they carefully keep track of the known (relevant) information while maximizing the ignorance about the irrelevant, unknown information. The last two lectures deal with quite actual questions of intermediate energy heavy-ion collisions. These are the multi-fragmentation dynamics of highly excited nuclear systems, and the so called subthreshold particle production. All three subjects are self-contained, and can be read without the knowledge about the other ones. (orig.)

Membrane Anchoring and Ion-Entry Dynamics in P-type ATPase Copper Transport

DEFF Research Database (Denmark)

Grønberg, Christina; Sitsel, Oleg; Lindahl, Erik

2016-01-01

Cu(+)-specific P-type ATPase membrane protein transporters regulate cellular copper levels. The lack of crystal structures in Cu(+)-binding states has limited our understanding of how ion entry and binding are achieved. Here, we characterize the molecular basis of Cu(+) entry using molecular-dynamics...... simulations, structural modeling, and in vitro and in vivo functional assays. Protein structural rearrangements resulting in the exposure of positive charges to bulk solvent rather than to lipid phosphates indicate a direct molecular role of the putative docking platform in Cu(+) delivery. Mutational analyses...... and simulations in the presence and absence of Cu(+) predict that the ion-entry path involves two ion-binding sites: one transient Met148-Cys382 site and one intramembranous site formed by trigonal coordination to Cys384, Asn689, and Met717. The results reconcile earlier biochemical and x-ray absorption data...

Phase transition dynamics in ultra-relativistic heavy-ion collisions

International Nuclear Information System (INIS)

Csernai, L.P.; Kapusta, J.I.; Kluge, G.Y.; Zabrodin, E.E.

1992-11-01

The authors investigate various problems related to the dynamics of a first-order phase transition from quark-gluon plasma to hadronic matter in ultra-relativistic heavy ion collisions. These include nucleation, growth and fusion of hadronic bubbles in either the Bjorken longitudinal hydrodynamic expansion model or the Cooper-Frye-Schonberg spherical hydrodynamic expansion model. With reasonable input parameters the conversion of one phase into the other is relatively close to the idealized adiabatic Maxwell construction, although one can choose parameters such that the conversion is strongly out of equilibrium. 10 refs., 7 figs

On the role of quantum ion dynamics for the anomalous melting of lithium

Science.gov (United States)

Elatresh, Sabri; Bonev, Stanimir

2011-03-01

Lithium has attracted a lot of interest in relation to a number of counterintuitive electronic and structural changes that it exhibits under pressure. One of the most remarkable properties of dense lithium is its anomalous melting. This behavior was first predicted theoretically based on first-principles molecular dynamics (FPMD) simulations, which treated the ions classically. The lowest melting temperature was determined to be about 275~K at 65~GPa. Recent experiments measured a melting temperature about 100~K lower at the same pressure. In this talk, we will present FPMD calculations of solid and liquid lithium free energies up to 100 GPa that take into account ion quantum dynamics. We examine the significance of the quantum effects for the finite-temperature phase boundaries of lithium and, in particular, its melting curve. Work supported by NSERC, Acenet, and LLNL under Contract DE-AC52-07NA27344.

Fluorescence profiles and cooling dynamics of laser-cooled Mg+ ions in a linear rf ion trap

International Nuclear Information System (INIS)

Zhao Xianzhen; Ryjkov, Vladimir L.; Schuessler, Hans A.

2006-01-01

Fluorescence line profiles and their implications on the cooling dynamics of the Mg + ions stored in a linear rf trap are studied. The line profile is dictated by the temperature of the ion cloud at different laser detunings. The upper bound of the lowest temperature was estimated for different values of the rf trapping potential amplitude and the buffer gas pressure. A general trend of this ultimate temperature to increase with the rf trapping voltage and buffer gas pressure is expected, with an abrupt change at some critical value corresponding to the transition to and from a strongly correlated liquid or crystal state. While on the one hand this expectation was confirmed when the buffer gas pressure was varied; on the other hand the influence of the amplitude of the trapping voltage on the ultimate temperature shows an interesting new feature of first dipping down before the sharp increase occurs

The dynamics of Ca2+ ions within the solvation shell of calbindin D9k.

Directory of Open Access Journals (Sweden)

Elad Project

Full Text Available The encounter of a Ca(2+ ion with a protein and its subsequent binding to specific binding sites is an intricate process that cannot be fully elucidated from experimental observations. We have applied Molecular Dynamics to study this process with atomistic details, using Calbindin D9k (CaB as a model protein. The simulations show that in most of the time the Ca(2+ ion spends within the Debye radius of CaB, it is being detained at the 1st and 2nd solvation shells. While being detained near the protein, the diffusion coefficient of the ion is significantly reduced. However, due to the relatively long period of detainment, the ion can scan an appreciable surface of the protein. The enhanced propagation of the ion on the surface has a functional role: significantly increasing the ability of the ion to scan the protein's surface before being dispersed to the bulk. The contribution of this mechanism to Ca(2+ binding becomes significant at low ion concentrations, where the intervals between successive encounters with the protein are getting longer. The efficiency of the surface diffusion is affected by the distribution of charges on the protein's surface. Comparison of the Ca(2+ binding dynamics in CaB and its E60D mutant reveals that in the wild type (WT protein the carboxylate of E60 function as a preferred landing-site for the Ca(2+ arriving from the bulk, followed by delivering it to the final binding site. Replacement of the glutamate by aspartate significantly reduced the ability to transfer Ca(2+ ions from D60 to the final binding site, explaining the observed decrement in the affinity of the mutated protein to Ca(2+.

Chaotic Dynamics Mediates Brain State Transitions, Driven by Changes in Extracellular Ion Concentrations

DEFF Research Database (Denmark)

Rasmussen, Rune; H. Jensen, Mogens; L. Heltberg, Mathias

2017-01-01

Previous studies have suggested that changes in extracellular ion concentrations initiate the transition from an activity state that characterizes sleep in cortical neurons to states that characterize wakeful- ness. However, because neuronal activity and extra- cellular ion concentrations...... are interdependent, isolating their unique roles during sleep-wake transitions is not possible in vivo. Here, we extend the Averaged-Neuron model and demonstrate that, although changes in extracellular ion concentrations occur concurrently, decreasing the conductance of calcium-dependent potassium channels initiates...... the transition from sleep to wakefulness. We find that sleep is governed by stable, self-sustained oscillations in neuronal firing patterns, whereas the quiet awake state and active awake state are both governed by irregular oscillations and chaotic dynamics; transitions between these separable awake states...

Dynamics Analysis and Experiment of Vibrating Screen for Asphalt Mixing Equipment

Directory of Open Access Journals (Sweden)

He ZHAO-XIA

2014-04-01

Full Text Available A dynamics model of vibration screen for asphalt mixing equipment is established in order to investigate the working performance of the system, which combines the lumped parameter method and substructure method in this paper. In order to acquire accurate results, the spring support stiffness, bearing stiffness and torsional stiffness of connecting link are considered in this model. The mass and stiffness matrixes of link are transformed to the master nodes according to the substructure method. Then the part is combined with the whole dynamics model by support points. Furthermore, the differential equations of motion are given by the Newton Second Law, and it is solved by Newmark time integration method. The centroid trajectory of vibrating screen is computed. At the same time, the reaction force of support springs and bearings are also acquired. And the strength of the product can meet the requirements of design by simulations. A vibration experiment is executed in factory, and the dynamics model is validated by comparing the results.

Ion dynamics in AgI doped silver selenium-tellurite mixed former glasses

Science.gov (United States)

Palui, A.; Ghosh, A.

2017-03-01

The ionic conductivity and the conductivity spectra of the glass compositions xAgI-(1-x)[yAg2O-(1-y)(0.5SeO2-0.5TeO2)] have been studied at different temperatures The activation energy for the dc conduction has been analyzed using the Anderson-Stuart model, and a correlation between the dc conductivity and the doorway radius has been obtained. We have analyzed the conductivity spectra using the random free-energy barrier model, taking into account the contribution of electrode polarization. It is observed that the Barton-Nakajima-Namikawa relation between the conductivity and the relaxation time is valid for these glasses. The time-temperature superposition principle has been verified using the scaling of the conductivity spectra in the framework of the random barrier model. The charge carrier density, obtained from the Nernst-Einstein relation, is found to be almost independent of temperature, but dependent weakly on composition. We have also studied the influence of the modification of the network structure of these glasses on ion migration and correlated the conductivity with the relative strength of the structural units.

Atmospheric Transport and Mixing linked to Rossby Wave Breaking in GFDL Dynamical Core

Science.gov (United States)

Liu, C.; Barnes, E. A.

2015-12-01

Atmospheric transport and mixing plays an important role in the global energy balance and the distribution of health-related chemical constituents. Previous studies suggest a close linkage between large-scale transport and Rossby wave breaking (RWB). In this work, we use the GFDL spectral dynamical core to investigate this relationship and study the response of RWB-related transport in different climate scenarios. In a standard control run, we quantify the contribution of RWB to the total transport and mixing of an idealized tracer. In addition, we divide the contribution further into the two types of RWB - anticyclonic wave breaking (AWB) and cyclonic wave breaking (CWB) -- and contrast their efficiency at transport and mixing. Our results are compared to a previous study in which the transport ability of the two types of RWB is studied for individual baroclinic wave life-cycles. In a series of sensitivity runs, we study the response of RWB-related transport and mixing to various states of the jet streams. The responses of the mean strength, frequency, and the efficiency of RWB-related transport are documented and the implications for the transport and mixing in a warmer climate are discussed.

Fundamental aspects of laser and ion-beam interactions with solid surfaces

International Nuclear Information System (INIS)

Wang, Z.L.

1982-01-01

In the first part of the thesis laser-beam interactions with solid surfaces are discussed. In the second part ion-beam interactions with solid surfaces are discussed and mainly the mixing of atoms due to ion bombardment. A study of ion-beam mixing of Cu-Au and Cu-W systems is described in order to illustrate the mechanism for ion beam mixing. As Cu-Au are miscible whereas Cu-W systems are not, and both systems have comparable mass numbers, comparison provides a test for current theories on ion-beam mixing. The results of experiments where 300 keV Kr 4+ ion-bombardment at a dose of 5x10 15 cm -2 has been applied to initiate mixing of a single layer structure and sandwich samples for both systems are described. Room temperature irradiations with a dose of 5x10 15 cm -2 show that Cu-Au mix readily, whereas a small mixing effect is observed for Cu-W systems. A comparable amount of mixing for Cu-Au induced by laser or ion beams is found whereas no mixing of Cu-W induced by laser irradiation is observed, which is in agreement with the criteria for formation of metastable solid solutions due to pulsed laser treatment. (Auth.)

Molecular dynamics simulation study of the "stay or leave" problem for two magnesium ions in gene transcription.

Science.gov (United States)

Wu, Shaogui

2017-06-01

Two magnesium ions play important roles in nucleotide addition cycle (NAC) of gene transcription. However, at the end of each NAC, why does one ion stay in the active site while the other ion leaves with product pyrophosphate (PP i )? This problem still remains obscure. In this work, we studied the problem using all-atom molecular dynamics simulation combined with steered molecular dynamics and umbrella sampling simulation methods. Our simulations reveal that although both ions are located in the active site after chemistry, their detailed positions are not symmetrical, leading to their different forces from surrounding groups. One ion makes weaker contacts with PP i than the whole protein. Hence, PP i release is less likely to take it away. The other one forms tighter contacts with PP i relative to the protein. The formed (Mg 2+ -PP i ) 2- complex is found to break the contacts with surrounding protein residues one by one so as to dissociate from the active site. This effectively avoids the coexistence of two ions in the active site after PP i release and guarantees a reasonable Mg 2+ ion number in the active site for the next NAC. The observations from this work can provide valuable information for comprehensively understanding the molecular mechanism of transcription. Proteins 2017; 85:1002-1007. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Self-organization of nanocluster δ-layers at ion-beam-mixed Si-SiO2 interfaces

International Nuclear Information System (INIS)

Roentzsch, L.

2003-11-01

This diploma thesis presents experimental evidence of a theoretical concept which predicts the self-organization of δ-layers of silicon nanoclusters in the buried oxide of a MOS-like structure. This approach of ''bottom-up'' structuring might be of eminent importance in view of future semiconductor memory devices. Unconventionally, a 15 nm thin SiO 2 layer, which is enclosed by a 50 nm poly-Si capping layer and the Si substrate, is irradiated with Si + ions. Ion impact drives the system to a state far from thermodynamic equilibrium, i.e. the local composition of the target is modified to a degree unattainable in common processes. A region of SiO x (x 2 matrix at a distance of ∼3 nm from the Si substrate. The physical mechanisms of ion mixing of the two Si-SiO 2 interfaces and subsequent phase separation, which result in the desired sample structure, are elucidated from the viewpoint of computer simulations. In addition, experimental evidence is presented based on various methods, including TEM, RBS, and SIMS. A novel method of Si nanocluster decoration is of particular importance which applies Ge as contrast enhancing element in TEM studies of tiny Si nanoclusters. (orig.)

Dynamics of a single ion in a perturbed Penning trap: Octupolar perturbation

International Nuclear Information System (INIS)

Lara, Martin; Salas, J. Pablo

2004-01-01

Imperfections in the design or implementation of Penning traps may give rise to electrostatic perturbations that introduce nonlinearities in the dynamics. In this paper we investigate, from the point of view of classical mechanics, the dynamics of a single ion trapped in a Penning trap perturbed by an octupolar perturbation. Because of the axial symmetry of the problem, the system has two degrees of freedom. Hence, this model is ideal to be managed by numerical techniques like continuation of families of periodic orbits and Poincare surfaces of section. We find that, through the variation of the two parameters controlling the dynamics, several periodic orbits emanate from two fundamental periodic orbits. This process produces important changes (bifurcations) in the phase space structure leading to chaotic behavior

Theory of neoclassical ion temperature-gradient-driven turbulence

Science.gov (United States)

Kim, Y. B.; Diamond, P. H.; Biglari, H.; Callen, J. D.

1991-02-01

The theory of collisionless fluid ion temperature-gradient-driven turbulence is extended to the collisional banana-plateau regime. Neoclassical ion fluid evolution equations are developed and utilized to investigate linear and nonlinear dynamics of negative compressibility ηi modes (ηi≡d ln Ti/d ln ni). In the low-frequency limit (ωB2p. As a result of these modifications, growth rates are dissipative, rather than sonic, and radial mode widths are broadened [i.e., γ˜k2∥c2s(ηi -(2)/(3) )/μi, Δx˜ρs(Bt/Bp) (1+ηi)1/2, where k∥, cs, and ρs are the parallel wave number, sound velocity, and ion gyroradius, respectively]. In the limit of weak viscous damping, enhanced neoclassical polarization persists and broadens radial mode widths. Linear mixing length estimates and renormalized turbulence theory are used to determine the ion thermal diffusivity in both cases. In both cases, a strong favorable dependence of ion thermal diffusivity on Bp (and hence plasma current) is exhibited. Furthermore, the ion thermal diffusivity for long wavelength modes exhibits favorable density scaling. The possible role of neoclassical ion temperature-gradient-driven modes in edge fluctuations and transport in L-phase discharges and the L to H transition is discussed.

Colloid dynamics and transport of major elements through a boreal river - brackish bay mixing zone

DEFF Research Database (Denmark)

Gustafsson, Ö.; Widerlund, A.; Andersson, P.

2000-01-01

km in the spring.. During the dynamic springflood conditions studied, small 238U–234Th disequilibria, low sediment trap fluxes, laboratory mixing experiments, as well as results from an independent two-box, two-dimensional mixing model combine to suggest that no significant removal of Fe, Si......A range of biogeochemical methodologies were applied to investigate how aggregation processes affected the phase distribution and mixing of Fe, Si, and organic carbon between the Kalix River and the Bothnic Bay, northernmost Baltic Sea salinityF3; the low-salinity zone LSZ. was stretching over 60...... similar to that of neighboring Russian Arctic rivers, is hypothesized to result from a comparatively high organic-to-detrital matter characteristic of the aggregates. While first principles would indeed suggest that decreasing electrostatic repulsion during mixing lead to aggregation, a low specific...

Dynamic adsorption of mixtures of Rhodamine B, Pb (II), Cu (II) and Zn(II) ions on composites chitosan-silica-polyethylene glycol membrane

Science.gov (United States)

Mahatmanti, F. W.; Rengga, W. D. P.; Kusumastuti, E.; Nuryono

2018-04-01

The adsorption of a solution mixture of Rhodamine B, Pb (II), Cu (II) and Zn(II) was studied using dynamic methods employing chitosan-silica-polyethylene glycol (Ch/Si/P) composite membrane as an adsorptive membrane. The composite Ch/Si/P membrane was prepared by mixing a chitosan-based membrane with silica isolated from rice husk ash (ASP) and polyethylene glycol (PEG) as a plasticizer. The resultant composite membrane was a stronger and more flexible membrane than the original chitosan-based membrane as indicated by the maximum percentage of elongation (20.5 %) and minimum Young’s Modulus (80.5 MPa). The composite membrane also showed increased mechanical and hydrophilic properties compared to the chitosan membranes. The membrane was used as adsorption membrane for Pb (II), Cu (II), Cd (II) ions and Rhodamine B dyes in a dynamic system where the permeation and selectivity were determined. The permeation of the components was observed to be in the following order: Rhodamine B > Cd (II) > Pb (II) > Cu (II) whereas the selectivity was shown to decrease the order of Cu (II) > Pb (II) > Cd (II) > Rhodamine B.

Solar-wind minor ions: recent observations

International Nuclear Information System (INIS)

Bame, S.J.

1982-01-01

During the years following the Solar Wind Four Conference at Burghausen our knowledge of the solar wind ion composition and dynamics has grown. There have been some surprises, and our understanding of the evolution of the solar wind has been improved. Systematic studies have shown that the minor ions generally travel with a common bulk speed and have temperatures roughly proportional to their masses. It has been determined that the 3 He ++ content varies greatly; 3 He ++ / 4 He ++ ranges from as high as 10 2 values to below 2 x 10 - 4 . In some solar wind flows which can be related to energetic coronal events, the minor ions are found in unusual ionization states containing Fe 16 + as a prominent ion, showing that the states were formed at unusually high temperatures. Unexpectedly, in a few flows substantial quantities of 4 He + have been detected, sometimes with ions identifiable as O 2 + and O 3 + . Surprisingly, in some of these examples the ionization state is mixed showing that part of the plasma escaped the corona without attaining the usual million-degree temperatures while other parts were heated more nearly in the normal manner. Additionally, detailed studies of the minor ions have increased our understanding of the coronal expansion. For example, such studies have contributed to identifying near equatorial coronal streamers as the source of solar wind flows between high speed streams

Thermal properties of the mixed spin-1 and spin-3/2 Ising ferrimagnetic system with two different random single-ion anisotropies

Science.gov (United States)

Pereira, J. R. V.; Tunes, T. M.; de Arruda, A. S.; Godoy, M.

2018-06-01

In this work, we have performed Monte Carlo simulations to study a mixed spin-1 and spin-3/2 Ising ferrimagnetic system on a square lattice with two different random single-ion anisotropies. This lattice is divided in two interpenetrating sublattices with spins SA = 1 in the sublattice A and SB = 3 / 2 in the sublattice B. The exchange interaction between the spins on the sublattices is antiferromagnetic (J single-ion anisotropies, DiA and DjB , on the sublattices A and B, respectively. We have determined the phase diagram of the model in the critical temperature Tc versus strength of the random single-ion anisotropy D plane and we shown that it exhibits only second-order phase transition lines. We also shown that this system displays compensation temperatures for some cases of the random single-ion distribution.

Femtosecond study of the effects of ions and hydrophobes on the dynamics of water.

Science.gov (United States)

van der Post, Sietse T; Tielrooij, Klaas-Jan; Hunger, Johannes; Backus, Ellen H G; Bakker, Huib J

2013-01-01

We study the effects of ions and hydrophobic molecular groups on the orientational dynamics of water using THz dielectric relaxation (THz-DR) and polarization-resolved femtosecond infrared (fs-IR) pump-probe spectroscopy. We measure the dynamics of water in solutions of NaI, NaCl, CsCl, guanidinium chloride (GndCl) and tetramethyl guanidinium chloride (TMGndCl) of different the static dipoles of their surrounding water molecules. With fs-IR we find that concentrations. With THz-DR we observe that strongly hydrated cations align the OD groups that form hydrogen bonds to halide anions reorient with two distinct time constants of 2 +/- 0.3 ps and 9 +/- 1 ps. The fast process is assigned to a wobbling motion of the OD group that keeps the hydrogen bond with the anion intact. The amplitude of this wobbling motion depends on the nature of both the anion and the counter cation. The replacement of four of the six hydrogen atoms of the weakly hydrated cation guanidinium by hydrophobic methyl groups leads to an exceptionally strong slowing down of the water dynamics. Hydrophobic groups thus appear to have a much stronger effect on the dynamics of water than ions. These findings give new insights in the mechanism of protein denaturation by GndCl and TMGndCl.

Quantum molecular dynamics study on energy transfer to the secondary electron in surface collision process of an ion

International Nuclear Information System (INIS)

Shibahara, M; Satake, S; Taniguchi, J

2008-01-01

In the present study the quantum molecular dynamics method was applied to an energy transfer problem to an electron during ionic surface collision process in order to elucidate how energy of ionic collision transfers to the emitted electrons. Effects of various physical parameters, such as the collision velocity and interaction strength between the observed electron and the classical particles on the energy transfer to the electron were investigated by the quantum molecular dynamics method when the potassium ion was collided with the surface so as to elucidate the energy path to the electron and the predominant factor of energy transfer to the electron. Effects of potential energy between the ion and the electron and that between the surface molecule and the electron on the electronic energy transfer were shown in the present paper. The energy transfer to the observed secondary electron through the potential energy term between the ion and the electron was much dependent on the ion collision energy although the energy increase to the observed secondary electron was not monotonous through the potential energy between the ion and surface molecules with the change of the ion collision energy

Thin-layer chromatography of 49 metal ions on stannic antimonate in aqueous and mixed solvent systems containing dimethylsulfoxide: quantitative separation of uranium from numerous metal ions

International Nuclear Information System (INIS)

Qureshi, M.; Varshney, K.G.; Rajput, R.P.S.

1976-01-01

Thin-layer chromatography of 40 metal ions in 31 aqueous and mixed solvent systems has been performed on stannic antimonate ion-exchange material. Dimethylsulfoxide has been utilized to resolve such binary mixtures as La 3+ and Ce 3+ from Pr 3+ , Nd 3+ , and Sm 3+ ; VO 2+ from Ti 4+ , Nb 5+ , and Ta 5+ ; Ga 3+ from In 3+ , Tl + , and Y 3+ ; Fe 3+ from VO 2+ ; and Mg 2+ from Al 3+ . Quantitative separation of 200 to 800 μg U from its binary mixtures and from the synthetic mixtures containing Mg 2+ , Bi 3+ , Fe 3+ , Th 4+ , Ce 4+ , Cr 3+ , Zr 4+ , Hf 4+ , Ti 4+ Mn 2+ , Cu 2+ , Ce 3+ , In 3+ , Y 3+ , Ca 2+ , Co 2+ , Tl + , Nb 5+ , and Ag + has been obtained

Low energy ion beam dynamics of NANOGAN ECR ion source

Energy Technology Data Exchange (ETDEWEB)

Kumar, Sarvesh, E-mail: sarvesh@iuac.res.in; Mandal, A.

2016-04-01

A new low energy ion beam facility (LEIBF) has been developed for providing the mass analyzed highly charged intense ion beams of energy ranging from a few tens of keV to a few MeV for atomic, molecular and materials sciences research. The new facility consists of an all permanent magnet 10 GHz electron cyclotron resonance (ECR) ion source (NANOGAN) installed on a high voltage platform (400 kV) which provides large currents of multiply charged ion beams. Higher emittance at low energy of intense ion beam puts a tremendous challenge to the beam optical design of this facility. The beam line consists of mainly the electrostatic quadrupoles, an accelerating section, analyzing cum switching magnet and suitable beam diagnostics including vacuum components. The accelerated ion beam is analyzed for a particular mass to charge (m/q) ratio as well as guided to three different lines along 75°, 90° and 105° using a large acceptance analyzing cum switching magnet. The details of transverse beam optics to all the beam lines with TRANSPORT and GICOSY beam optics codes are being described. Field computation code, OPERA 3D has been utilized to design the magnets and electrostatic quadrupoles. A theoretical estimation of emittance for optimized geometry of ion source is given so as to form the basis of beam optics calculations. The method of quadrupole scan of the beam is used to characterize the emittance of the final beam on the target. The measured beam emittance increases with m/q ratios of various ion beams similar to the trend observed theoretically.

Groundwater contamination from an inactive uranium mill tailings pile. 2. Application of a dynamic mixing model

International Nuclear Information System (INIS)

Narashimhan, T.N.; White, A.F.; Tokunaga, T.

1986-01-01

At Riverton, Wyoming, low pH process waters from an abandoned uranium mill tailings pile have been infiltrating into and contaminating the shallow water table aquifer. The contamination process has been governed by transient infiltration rates, saturated-unsaturated flow, as well as transient chemical reactions between the many chemical species present in the mixing waters and the sediments. In the first part of this two-part series the authors presented field data as well as an interpretation based on a static mixing models. As an upper bound, the authors estimated that 1.7% of the tailings water had mixed with the native groundwater. In the present work they present the results of numerical investigation of the dynamic mixing process. The model, DYNAMIX (DYNamic MIXing), couples a chemical speciation algorithm, PHREEQE, with a modified form of the transport algorithm, TRUMP, specifically designed to handle the simultaneous migration of several chemical constituents. The overall problem of simulating the evolution and migration of the contaminant plume was divided into three sub problems that were solved in sequential stages. These were the infiltration problem, the reactive mixing problem, and the plume-migration problem. The results of the application agree reasonably with the detailed field data. The methodology developed in the present study demonstrates the feasibility of analyzing the evolution of natural hydrogeochemical systems through a coupled analysis of transient fluid flow as well as chemical reactions. It seems worthwhile to devote further effort toward improving the physicochemical capabilities of the model as well as to enhance its computational efficiency

Short-term dynamics of second-growth mixed mesophytic forest strata in West Virginia

Science.gov (United States)

Cynthia C. Huebner; Steven L. Stephenson; Harold S. Adams; Gary W. Miller

2007-01-01

The short-term dynamics of mixed mesophytic forest strata in West Virginia were examined using similarity analysis and linear correlation of shared ordination space. The overstory tree, understory tree, shrub/vine, and herb strata were stable over a six year interval, whereas the tree seedling and sapling strata were unstable. All strata but the shrub/vine and tree...

Experimental and computational fluid dynamics studies of mixing of complex oral health products

Science.gov (United States)

Cortada-Garcia, Marti; Migliozzi, Simona; Weheliye, Weheliye Hashi; Dore, Valentina; Mazzei, Luca; Angeli, Panagiota; ThAMes Multiphase Team

2017-11-01

Highly viscous non-Newtonian fluids are largely used in the manufacturing of specialized oral care products. Mixing often takes place in mechanically stirred vessels where the flow fields and mixing times depend on the geometric configuration and the fluid physical properties. In this research, we study the mixing performance of complex non-Newtonian fluids using Computational Fluid Dynamics models and validate them against experimental laser-based optical techniques. To this aim, we developed a scaled-down version of an industrial mixer. As test fluids, we used mixtures of glycerol and a Carbomer gel. The viscosities of the mixtures against shear rate at different temperatures and phase ratios were measured and found to be well described by the Carreau model. The numerical results were compared against experimental measurements of velocity fields from Particle Image Velocimetry (PIV) and concentration profiles from Planar Laser Induced Fluorescence (PLIF).

The ion-acoustic soliton: A gas-dynamic viewpoint

Science.gov (United States)

McKenzie, J. F.

2002-03-01

The properties of fully nonlinear ion-acoustic solitons are investigated by interpreting conservation of total momentum as the structure equation for the proton flow in the wave. In most studies momentum conservation is regarded as the first integral of the Poisson equation for the electric potential and is interpreted as being analogous to a particle moving in a pseudo-potential well. By adopting an essentially gas-dynamic viewpoint, which emphasizes momentum conservation and the properties of the Bernoulli-type energy equations, the crucial role played by the proton sonic point becomes apparent. The relationship (implied by energy conservation) between the electron and proton speeds in the transition yields a locus—the hodograph of the system-which shows that, in the first half of the soliton, the electrons initially lag behind the protons until the charge neutral point is reached, after which they run ahead of the protons. The system reaches an equilibrium point (the center of the soliton) before the proton flow goes sonic. It follows that the critical ion-acoustic Mach number, Mc, above which smooth, continuous solitons cannot be constructed, stems from the requirement that the two equilibrium points of the structure equation coalesce at the proton sonic point of the flow. In general the range of the ion-acoustic Mach numbers, Mep, in which solitons exist, is extended beyond the classical range 1ion-acoustic Mach number, can be between 1.3kTe and 10kTe depending upon the values of the adiabatic indices of the electrons and protons and the proton Mach number.

Proceedings of the Workshop on open problems in heavy ion reaction dynamics at VIVITRON energies

International Nuclear Information System (INIS)

Beck, F.A.

1993-01-01

Some problems of heavy ion reaction dynamics at the VIVITRON tandem accelerator and the experimental facilities are discussed at the meeting. Topics include light dinuclear systems, collision dynamics at low energies, fission evaporation and fusion of heavy nuclei and others. Most documents consist of transparencies presented at the workshop, texts of papers are missing. All items are indexed and abstracted for the INIS database. (K.A.)

Proceedings of the Workshop on open problems in heavy ion reaction dynamics at VIVITRON energies

Energy Technology Data Exchange (ETDEWEB)

Beck, F. A.

1993-07-01

Some problems of heavy ion reaction dynamics at the VIVITRON tandem accelerator and the experimental facilities are discussed at the meeting. Topics include light dinuclear systems, collision dynamics at low energies, fission evaporation and fusion of heavy nuclei and others. Most documents consist of transparencies presented at the workshop, texts of papers are missing. All items are indexed and abstracted for the INIS database. (K.A.).

A dynamic capacity degradation model and its applications considering varying load for a large format Li-ion battery

International Nuclear Information System (INIS)

Ouyang, Minggao; Feng, Xuning; Han, Xuebing; Lu, Languang; Li, Zhe; He, Xiangming

2016-01-01

Highlights: • A dynamic capacity degradation model for large format Li-ion battery is proposed. • The change of the model parameters directly link with the degradation mechanisms. • The model can simulate the fading behavior of Li-ion battery under varying loads. • The model can help evaluate the longevity of a battery system under specific load. • The model can help predict the evolution of cell variations within a battery pack. - Abstract: The capacity degradation of the lithium ion battery should be well predicted during battery system design. Therefore, high-fidelity capacity degradation models that are suitable for the task of capacity prediction are required. This paper proposes a novel capacity degradation model that can simulate the degradation dynamics under varying working conditions for large-format lithium ion batteries. The degradation model is built based on a mechanistic and prognostic model (MPM) whose parameters are closely linked with the degradation mechanisms of lithium ion batteries. Chemical kinetics was set to drive the parameters of the MPM to change as capacity degradation continues. With the dynamic parameters of the MPM, the capacity predicted by the degradation model decreases as the cycle continues. Accelerated aging tests were conducted on three types of commercial lithium ion batteries to calibrate the capacity degradation model. The good fit with the experimental data indicates that the model can capture the degradation mechanisms well for different types of commercial lithium ion batteries. Furthermore, the calibrated model can be used to (1) evaluate the longevity of a battery system under a specific working load and (2) predict the evolution of cell variations within a battery pack when different cell works at different conditions. Correlated applications are discussed using the calibrated degradation model.

High-Order Ca(II)-Chloro Complexes in Mixed CaCl2-LiCl Aqueous Solution: Insights from Density Functional Theory and Molecular Dynamics Simulations.

Science.gov (United States)

Wang, Yu-Lin; Wang, Ying; Yi, Hai-Bo

2016-07-21

In this study, the structural characteristics of high-coordinated Ca-Cl complexes present in mixed CaCl2-LiCl aqueous solution were investigated using density functional theory (DFT) and molecular dynamics (MD) simulations. The DFT results show that [CaClx](2-x) (x = 4-6) clusters are quite unstable in the gas phase, but these clusters become metastable when hydration is considered. The MD simulations show that high-coordinated Ca-chloro complexes are possible transient species that exist for up to nanoseconds in concentrated (11.10 mol·kg(-1)) Cl(-) solution at 273 and 298 K. As the temperature increases to 423 K, these high-coordinated structures tend to disassociate and convert into smaller clusters and single free ions. The presence of high-order Ca-Cl species in concentrated LiCl solution can be attributed to their enhanced hydration shell and the inadequate hydration of ions. The probability of the [CaClx](2-x)aq (x = 4-6) species being present in concentrated LiCl solution decreases greatly with increasing temperature, which also indicates that the formation of the high-coordinated Ca-Cl structure is related to its hydration characteristics.

Collective flow as a probe of heavy-ion reaction dynamics

International Nuclear Information System (INIS)

Awes, T.C.

1997-01-01

Collective flow of nuclear matter probes the dynamics of heavy-ion reactions and can provide information about the nuclear-matter equation of state. In particular, the incident energy dependences of collective flow may be a sensitive means to deduce the existence of a Quark Gluon Plasma phase in the equation of state. Collective flow measurements from 30 A MeV to 200 A GeV incident energies are briefly reviewed. Preliminary results on collective flow from the WA98 experiment at the CERN SPS are presented

New ion exchange resin designs and regeneration procedures yield improved performance for various condensate polishing applications

International Nuclear Information System (INIS)

Najmy, S.W.

2002-01-01

Condensate polishing is an application with many different design and operational aspects. The past decade has brought new challenges for improved water quality with respect to both soluble and insoluble contaminants. Nonetheless, the endeavors to understand the compositional complexities of the ion exchange resin bead and the convoluted dynamics of ion exchange chemistry and chemical engineering mechanisms occurring within the mixed bed condensate polisher have brought new ideas and expectations for ion exchange resin in deep-bed condensate polishers than ever before. The new products and procedures presented here are a collaboration of a great deal of effort on the part of researchers, consultants, system engineers, station chemists, lab technicians and others. The studies discussed in this paper unequivocally demonstrate the merits of: 1. A specially designed cation resin to achieve greater than 95% insoluble iron removal efficiency, 2. A less-separable mixed resin for improved control of reactor water sulfate in BWR primary cycles, 3. Applying increased levels of regeneration chemicals and retrofitting the service vessels with re-mixing capability to improve the operation of deep-bed condensate polishers in PWR secondary cycles. (authors)

Electron behavior in ion beam neutralization in electric propulsion: full particle-in-cell simulation

International Nuclear Information System (INIS)

Usui, Hideyuki; Hashimoto, Akihiko; Miyake, Yohei

2013-01-01

By performing full Particle-In-Cell simulations, we examined the transient response of electrons released for the charge neutralization of a local ion beam emitted from an ion engine which is one of the electric propulsion systems. In the vicinity of the engine, the mixing process of electrons in the ion beam region is not so obvious because of large difference of dynamics between electrons and ions. A heavy ion beam emitted from a spacecraft propagates away from the engine and forms a positive potential region with respect to the background. Meanwhile electrons emitted for a neutralizer located near the ion engine are electrically attracted or accelerated to the core of the ion beam. Some electrons with the energy lower than the ion beam potential are trapped in the beam region and move along with the ion beam propagation with a multi-streaming structure in the beam potential region. Since the locations of the neutralizer and the ion beam exit are different, the above-mentioned bouncing motion of electrons is also observed in the direction of the beam diameter

The ion-acoustic soliton: A gas-dynamic viewpoint

International Nuclear Information System (INIS)

McKenzie, J.F.

2002-01-01

The properties of fully nonlinear ion-acoustic solitons are investigated by interpreting conservation of total momentum as the structure equation for the proton flow in the wave. In most studies momentum conservation is regarded as the first integral of the Poisson equation for the electric potential and is interpreted as being analogous to a particle moving in a pseudo-potential well. By adopting an essentially gas-dynamic viewpoint, which emphasizes momentum conservation and the properties of the Bernoulli-type energy equations, the crucial role played by the proton sonic point becomes apparent. The relationship (implied by energy conservation) between the electron and proton speeds in the transition yields a locus--the hodograph of the system-which shows that, in the first half of the soliton, the electrons initially lag behind the protons until the charge neutral point is reached, after which they run ahead of the protons. The system reaches an equilibrium point (the center of the soliton) before the proton flow goes sonic. It follows that the critical ion-acoustic Mach number, M c , above which smooth, continuous solitons cannot be constructed, stems from the requirement that the two equilibrium points of the structure equation coalesce at the proton sonic point of the flow. In general the range of the ion-acoustic Mach numbers, M ep , in which solitons exist, is extended beyond the classical range 1 ep 2 shaped pulses characteristic of weakly nonlinear waves and shows that solitons exist only if 1 ep e and 10kT e depending upon the values of the adiabatic indices of the electrons and protons and the proton Mach number

Molecular Dynamics Simulations of Collisional Cooling and Ordering of Multiply Charged Ions in a Penning Trap

International Nuclear Information System (INIS)

Holder, J.P.; Church, D.A.; Gruber, L.; DeWitt, H.E.; Beck, B.R.; Schneider, D.

2000-01-01

Molecular dynamics simulations are used to help design new experiments by modeling the cooling of small numbers of trapped multiply charged ions by Coulomb interactions with laser-cooled Be + ions. A Verlet algorithm is used to integrate the equations of motion of two species of point ions interacting in an ideal Penning trap. We use a time step short enough to follow the cyclotron motion of the ions. Axial and radial temperatures for each species are saved periodically. Direct heating and cooling of each species in the simulation can be performed by periodically rescaling velocities. Of interest are Fe 11+ due to a EUV-optical double resonance for imaging and manipulating the ions, and Ca 14+ since a ground state fine structure transition has a convenient wavelength in the tunable laser range

Na-ion dynamics in Quasi-1D compound NaV2O4

International Nuclear Information System (INIS)

Månsson, M; Umegaki, I; Nozaki, H; Higuchi, Y; Sugiyama, J; Kawasaki, I; Watanabe, I; Sakurai, H

2014-01-01

We have used the pulsed muon source at ISIS to study high-temperature Na-ion dynamics in the quasi-one-dimensional (Q1D) metallic antiferromagnet NaV 2 O 4 . By performing systematic zero-field and longitudinal-field measurements as a function of temperature we clearly distinguish that the hopping rate increases exponentially above T diff ≈ 250 K. The data is well fitted to an Arrhenius type equation typical for a diffusion process, showing that the Na-ions starts to be mobile above T diff . Such results make this compound very interesting for the tuning of Q1D magnetism using atomic-scale ion-texturing through the periodic potential from ordered Na-vacancies. Further, it also opens the door to possible use of NaV 2 O 4 and related compounds in energy related applications

A three-dimensional relaxation model for calculation of atomic mixing and topography changes induces by ion beams

International Nuclear Information System (INIS)

Collins, R.; Perez-Martin, A.M.C.; Dominguez-Vazquez, J.; Jimenez-Rodriguez, J.J.

1994-01-01

A simple model for three-dimensional material relaxation associated with atomic mixing is presented. The relaxation of the solid to accommodate the extra effective displacement volume Ω of an implanted or relocated atom is modelled by treating the surrounding solid as an incompressible medium. This leads to a tractable general formalism which can be used to predict implant distribution and changes in surface topography induced by ion beams, both in monatomic and multicomponent targets. The two-component case is discussed in detail. (orig.)

Dynamic compensation temperatures in a mixed spin-1 and spin-3/2 Ising system under a time-dependent oscillating magnetic field

Energy Technology Data Exchange (ETDEWEB)

Keskin, Mustafa, E-mail: keskin@erciyes.edu.t [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Kantar, Ersin [Institute of Science, Erciyes University, 38039 Kayseri (Turkey)

2010-09-15

We study the existence of dynamic compensation temperatures in the mixed spin-1 and spin-3/2 Ising ferrimagnetic system Hamiltonian with bilinear and crystal-field interactions in the presence of a time-dependent oscillating external magnetic field on a hexagonal lattice. We employ the Glauber transitions rates to construct the mean-field dynamic equations. We investigate the time dependence of an average sublattice magnetizations, the thermal behavior of the dynamic sublattice magnetizations and the total magnetization. From these studies, we find the phases in the system, and characterize the nature (continuous or discontinuous) of transitions as well as obtain the dynamic phase transition (DPT) points and the dynamic compensation temperatures. We also present dynamic phase diagrams, including the compensation temperatures, in the five different planes. A comparison is made with the results of the available mixed spin Ising systems.

Dynamic compensation temperatures in a mixed spin-1 and spin-3/2 Ising system under a time-dependent oscillating magnetic field

International Nuclear Information System (INIS)

Keskin, Mustafa; Kantar, Ersin

2010-01-01

We study the existence of dynamic compensation temperatures in the mixed spin-1 and spin-3/2 Ising ferrimagnetic system Hamiltonian with bilinear and crystal-field interactions in the presence of a time-dependent oscillating external magnetic field on a hexagonal lattice. We employ the Glauber transitions rates to construct the mean-field dynamic equations. We investigate the time dependence of an average sublattice magnetizations, the thermal behavior of the dynamic sublattice magnetizations and the total magnetization. From these studies, we find the phases in the system, and characterize the nature (continuous or discontinuous) of transitions as well as obtain the dynamic phase transition (DPT) points and the dynamic compensation temperatures. We also present dynamic phase diagrams, including the compensation temperatures, in the five different planes. A comparison is made with the results of the available mixed spin Ising systems.

Quadratic temporal finite element method for linear elastic structural dynamics based on mixed convolved action

International Nuclear Information System (INIS)

Kim, Jin Kyu; Kim, Dong Keon

2016-01-01

A common approach for dynamic analysis in current practice is based on a discrete time-integration scheme. This approach can be largely attributed to the absence of a true variational framework for initial value problems. To resolve this problem, a new stationary variational principle was recently established for single-degree-of-freedom oscillating systems using mixed variables, fractional derivatives and convolutions of convolutions. In this mixed convolved action, all the governing differential equations and initial conditions are recovered from the stationarity of a single functional action. Thus, the entire description of linear elastic dynamical systems is encapsulated. For its practical application to structural dynamics, this variational formalism is systemically extended to linear elastic multidegree- of-freedom systems in this study, and a corresponding weak form is numerically implemented via a quadratic temporal finite element method. The developed numerical method is symplectic and unconditionally stable with respect to a time step for the underlying conservative system. For the forced-damped vibration, a three-story shear building is used as an example to investigate the performance of the developed numerical method, which provides accurate results with good convergence characteristics

Quadratic temporal finite element method for linear elastic structural dynamics based on mixed convolved action

Energy Technology Data Exchange (ETDEWEB)

Kim, Jin Kyu [School of Architecture and Architectural Engineering, Hanyang University, Ansan (Korea, Republic of); Kim, Dong Keon [Dept. of Architectural Engineering, Dong A University, Busan (Korea, Republic of)

2016-09-15

A common approach for dynamic analysis in current practice is based on a discrete time-integration scheme. This approach can be largely attributed to the absence of a true variational framework for initial value problems. To resolve this problem, a new stationary variational principle was recently established for single-degree-of-freedom oscillating systems using mixed variables, fractional derivatives and convolutions of convolutions. In this mixed convolved action, all the governing differential equations and initial conditions are recovered from the stationarity of a single functional action. Thus, the entire description of linear elastic dynamical systems is encapsulated. For its practical application to structural dynamics, this variational formalism is systemically extended to linear elastic multidegree- of-freedom systems in this study, and a corresponding weak form is numerically implemented via a quadratic temporal finite element method. The developed numerical method is symplectic and unconditionally stable with respect to a time step for the underlying conservative system. For the forced-damped vibration, a three-story shear building is used as an example to investigate the performance of the developed numerical method, which provides accurate results with good convergence characteristics.

Studies on the dynamics of heavy ion collisions at intermediate energies

International Nuclear Information System (INIS)

David, C.; Hartnack, C; Aichelin, J.

1997-01-01

We use the Quantum Molecular Dynamics model for the investigation of the dynamics of heavy ion collisions at intermediate energies. A detailed comparison between different versions of the models demonstrate the influence of not exactly known parameters in the description of nuclei like interaction range or initial densities and thus describes the limits of predictive power. The dynamics of the reaction are discussed quite similarly in the different models. A radial expansion with a linear velocity profile is found at central collisions. A strong interaction of pions with nuclear matter is reported. This interaction is strongly influenced by the lifetime of baryonic resonances in nuclear matter. These lifetimes depend strongly on the mass distribution of the resonances. These mass distributions are influenced by the momentum distribution in the nuclei. Here the inclusion of the spectral function shows visible effects. These effects influence the energy dissipation in nuclei and thus enter e.g. into the analysis of p + A collisions for the GEDEON project. (author)

Understanding plume splitting of laser ablated plasma: A view from ion distribution dynamics

Energy Technology Data Exchange (ETDEWEB)

Wu, Jian; Li, Xingwen; Wei, Wenfu; Jia, Shenli; Qiu, Aici [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Shaanxi 710049 (China)

2013-11-15

Plume splitting in low-pressure ambient air was understood in view of ion distribution dynamics from the laser ablated Al plasma (1064 nm 0.57 J/mm{sup 2}) by combining fast photography and spatially resolved spectroscopy. In the beginning, the spectral lines were mainly from the Al III ion. Then, the Bragg peak in stopping power of the ambient gas to Al III could be the dominant reason for the enhanced emission from the fast moving part, and the recombination of Al III to Al I-II ions near the target surface was response to the radiations from the slow moving/stationary part. As the ambient gas pressure increased, stopping distances of the Al III decreased, and radiation from the air ions became pronounced. The laser shadowgraph image at 1100 Pa indicated that the shock wave front located between the fast moving and slow moving parts. Electron densities of the fast moving plasma, which peaked at the plasma front, were on the order of 10{sup 16} cm{sup −3}, and the electron temperatures were 2–3 eV.

On experimental and theoretical studies of dynamics and particle production in p-nucleus and heavy ion reactions

Energy Technology Data Exchange (ETDEWEB)

Fokin, A.B

1998-11-01

Several experiments and theoretical models of intermediate energy heavy ion collision physics are presented in this thesis. Statistical and dynamical aspects of nuclear collisions are widely discussed these days, particularly in connection with the multifragmentation phenomenon and the possible link to a liquid-gas phase transition in the spinodal region of nuclear matter phase diagram. Experimental techniques which allow us to measure various parameters of hot and dense (equilibrated) regions (emission sources) formed in a heavy ion collision are well established nowadays. In recent CHIC (Celsius Heavy Ion Collaboration) experiments the properties of such sources were measured using slowly ramping mode of the CELSIUS storage ring. In this thesis the entropy and chaos production in nuclear collisions is discussed in connection with the t/d/p ratios. Subthreshold pion production explores collective effects in heavy ion collisions and brings additional information about the equation of state of nuclear matter. Continuous pion production excitation functions were measured in the beam energy region from far below the nucleon-nucleon threshold up to the delta dominant region. Mass and angular dependencies of pion production are discussed. A version of the molecular dynamics model which includes pion production in direct nucleon-nucleon collisions was developed and experimental data were analysed in the scope of this model. Properties of the emission sources formed in heavy ion collisions at energies below 50A MeV were studied in the experiments of fragmentation type performed by CHIC. Temperatures of these sources were extracted from fragment energy spectra and from `isotopic effect`. A version of the quantum molecular dynamics model, where the Pauli potential is introduced into the Hamiltonian, was combined with the statistical multifragmentation model and used to explore dynamical and statistical properties of the reaction development. The artificial neural networks

On experimental and theoretical studies of dynamics and particle production in p-nucleus and heavy ion reactions

International Nuclear Information System (INIS)

Fokin, A.B.

1998-11-01

Several experiments and theoretical models of intermediate energy heavy ion collision physics are presented in this thesis. Statistical and dynamical aspects of nuclear collisions are widely discussed these days, particularly in connection with the multifragmentation phenomenon and the possible link to a liquid-gas phase transition in the spinodal region of nuclear matter phase diagram. Experimental techniques which allow us to measure various parameters of hot and dense (equilibrated) regions (emission sources) formed in a heavy ion collision are well established nowadays. In recent CHIC (Celsius Heavy Ion Collaboration) experiments the properties of such sources were measured using slowly ramping mode of the CELSIUS storage ring. In this thesis the entropy and chaos production in nuclear collisions is discussed in connection with the t/d/p ratios. Subthreshold pion production explores collective effects in heavy ion collisions and brings additional information about the equation of state of nuclear matter. Continuous pion production excitation functions were measured in the beam energy region from far below the nucleon-nucleon threshold up to the delta dominant region. Mass and angular dependencies of pion production are discussed. A version of the molecular dynamics model which includes pion production in direct nucleon-nucleon collisions was developed and experimental data were analysed in the scope of this model. Properties of the emission sources formed in heavy ion collisions at energies below 50A MeV were studied in the experiments of fragmentation type performed by CHIC. Temperatures of these sources were extracted from fragment energy spectra and from 'isotopic effect'. A version of the quantum molecular dynamics model, where the Pauli potential is introduced into the Hamiltonian, was combined with the statistical multifragmentation model and used to explore dynamical and statistical properties of the reaction development. The artificial neural networks

Computational Fluid Dynamics Modeling Of Scaled Hanford Double Shell Tank Mixing - CFD Modeling Sensitivity Study Results

International Nuclear Information System (INIS)

Jackson, V.L.

2011-01-01

The primary purpose of the tank mixing and sampling demonstration program is to mitigate the technical risks associated with the ability of the Hanford tank farm delivery and celtification systems to measure and deliver a uniformly mixed high-level waste (HLW) feed to the Waste Treatment and Immobilization Plant (WTP) Uniform feed to the WTP is a requirement of 24590-WTP-ICD-MG-01-019, ICD-19 - Interface Control Document for Waste Feed, although the exact definition of uniform is evolving in this context. Computational Fluid Dynamics (CFD) modeling has been used to assist in evaluating scaleup issues, study operational parameters, and predict mixing performance at full-scale.

Diffusion pathway of mobile ions and crystal structure of ionic and mixed conductors. A brief review

International Nuclear Information System (INIS)

Yashima, Masatomo

2009-01-01

A brief review on the field of Solid State Ionics, including the diffusion pathway of mobile ions, crystal structure and materials, is presented. In the fluorite-structured ionic conductors such as ceria solid solution Ce 0.93 Y 0.07 O 1.96 , bismuth oxide solid solution δ-Bi 1.4 Yb 0.6 O 3 and copper iodide CuI, a similar curved diffusion pathway along the directions is observed. In the ionic and mixed conductors with the cubic ABO 3 perovskite-type structure such as lanthanum gallate and lanthanum cobaltite solid solutions, the mobile ions diffuse along a curved line keeping the interatomic distance between the B cation and O 2- anion to some degree. The structure and diffusion path of double-perovskite-type La 0.64 Ti 0.92 Nb 0.08 O 2.99 , K 2 NiF 4 -type (Pr 0.9 La 0.1 ) 2 (Ni 0.74 Cu 0.21 Ga 0.05 )O 4+δ , and apatite-type La 9.69 (Si 5.70 Mg 0.30 )O 26.24 are described. The diffusion paths of Li + ions in La 0.62 Li 0.16 TiO 3 and Li 0.6 FePO 4 are two- and one-dimensional, respectively. (author)

Conformational Dynamics on the Extracellular Side of LeuT Controlled by Na+ and K+ Ions and the Protonation State of Glu(290)

DEFF Research Database (Denmark)

Khelashvili, George; Schmidt, Solveig Gaarde; Shi, Lei

2016-01-01

Na+ ions and substrate have left, and the transporter prepares for a new cycle. We compare the results with the consequences of binding Na+ in the same apo system. Analysis of >50-μs atomistic molecular dynamics and enhanced sampling trajectories of constructs with Glu290, either charged or neutral......Ions play key mechanistic roles in the gating dynamics of neurotransmitter:sodium symporters (NSSs). In recent microsecond scale molecular dynamics simulations of a complete model of the dopamine transporter, a NSS protein, we observed a partitioning of K+ ions from the intracellular side toward...... the unoccupied Na2 site of dopamine transporter following the release of the Na2-bound Na+. Here we evaluate with computational simulations and experimental measurements of ion affinities under corresponding conditions, the consequences of K+ binding in the Na2 site of LeuT, a bacterial homolog of NSS, when both...

Dynamic energy spectrum and energy deposition in solid target by intense pulsed ion beams

Institute of Scientific and Technical Information of China (English)

Xiao Yu; Xiao-Yun Le; Zheng Liu; Jie Shen; Yu I.Isakova; Hao-Wen Zhong; Jie Zhang; Sha Yan; Gao-Long Zhang; Xiao-Fu Zhang

2017-01-01

A method for analyzing the dynamic energy spectrum of intense pulsed ion beam (IPIB) was proposed.Its influence on beam energy deposition in metal target was studied with IPIB produced by two types of magnetically insulated diodes (MID).The emission of IPIB was described with space charge limitation model,and the dynamic energy spectrum was further analyzed with time-of-flight method.IPIBs generated by pulsed accelerators of BIPPAB-450 (active MID) and TEMP-4M (passive MID) were studied.The dynamic energy spectrum was used to deduce the power density distribution of IPIB in the target with Monte Carlo simulation and infrared imaging diagnostics.The effect on the distribution and evolution of thermal field induced by the characteristics of IPIB dynamic energy spectrum was discussed.

Influence of processes of structure formation in mixed solvent and anion nature on cadmium ions discharge kinetics from water-dimethylformamide electrolyte

International Nuclear Information System (INIS)

Kuznetsov, V.V.; Bozhenko, L.G.; Kucherenko, S.S.; Fedorova, O.V.

1986-01-01

Electrochemical reaction of cadmium ion discharge in water-dimethylformamide (DMF) solutions is studied. The influence of DMF concentration in the presence of different anions (ClO 4 - , F - , I - ) on both reaction kinetics and mechanism is discussed on the basis of structural transformations in the mixed solvent and near the surface electrode processes

Secure Hashing of Dynamic Hand Signatures Using Wavelet-Fourier Compression with BioPhasor Mixing and Discretization

Directory of Open Access Journals (Sweden)

Wai Kuan Yip

2007-01-01

Full Text Available We introduce a novel method for secure computation of biometric hash on dynamic hand signatures using BioPhasor mixing and discretization. The use of BioPhasor as the mixing process provides a one-way transformation that precludes exact recovery of the biometric vector from compromised hashes and stolen tokens. In addition, our user-specific discretization acts both as an error correction step as well as a real-to-binary space converter. We also propose a new method of extracting compressed representation of dynamic hand signatures using discrete wavelet transform (DWT and discrete fourier transform (DFT. Without the conventional use of dynamic time warping, the proposed method avoids storage of user's hand signature template. This is an important consideration for protecting the privacy of the biometric owner. Our results show that the proposed method could produce stable and distinguishable bit strings with equal error rates (EERs of and for random and skilled forgeries for stolen token (worst case scenario, and for both forgeries in the genuine token (optimal scenario.

Dissolved carbon dynamics in the freshwater-saltwater mixing zone of a coastal river entering the Northern Gulf of Mexico

Science.gov (United States)

He, S.; Xu, Y. J.

2017-12-01

Estuaries play an important role in the dynamics of dissolved carbon from freshwater to marine systems. This study aims to determine how dissolved inorganic carbon (DIC) and dissolved organic carbon (DOC) concentrations change along an 88-km long estuarine river with salinity ranging from 0.02 to 29.50. The study is expected to elucidate which processes most likely control carbon dynamics in a freshwater-saltwater mixing system, and to evaluate the net metabolism of this estuary using mixing curves and stable isotope analyses. From November 2014 to February 2016, water samples were collected and in-situ measurements on ambient water conditions were performed during eighteen field trips at six sites from upstream to downstream of the Calcasieu River, which enters the Northern Gulf of Mexico in the southern United States. δ13CDIC and δ13CDOC were measured from May 2015 to February 2017 during five of the field trips. The DIC concentration and δ13CDIC increased rapidly with increasing salinity in the mixing zone. The DIC concentrations appeared to be largely influenced by conservative mixing. The δ13CDIC values were close to those suggested by the conservative mixing model for May 2015, June 2015 and November 2015, but lower than those for July 2015 and February 2016, suggesting that an estuarine river can fluctuate from a balanced to a heterotrophic system (i.e., production/respiration aquatic photosynthesis from carbon produced by terrestrial photosynthesis in a river-ocean continuum. These findings suggest that riverine dissolved carbon undergoes a rapid change in freshwater-saltwater mixing, and that these dynamics should be taken into account in carbon processing and budgeting in the world's estuarine systems.

Dynamic hysteresis behaviors for the two-dimensional mixed spin (2, 5/2) ferrimagnetic Ising model in an oscillating magnetic field

Science.gov (United States)

Ertaş, Mehmet

2015-09-01

Keskin and Ertaş (2009) presented a study of the magnetic properties of a mixed spin (2, 5/2) ferrimagnetic Ising model within an oscillating magnetic field. They employed dynamic mean-field calculations to find the dynamic phase transition temperatures, the dynamic compensation points of the model and to present the dynamic phase diagrams. In this work, we extend the study and investigate the dynamic hysteresis behaviors for the two-dimensional (2D) mixed spin (2, 5/2) ferrimagnetic Ising model on a hexagonal lattice in an oscillating magnetic field within the framework of dynamic mean-field calculations. The dynamic hysteresis curves are obtained for both the ferromagnetic and antiferromagnetic interactions and the effects of the Hamiltonian parameters on the dynamic hysteresis behaviors are discussed in detail. The thermal behaviors of the coercivity and remanent magnetizations are also investigated. The results are compared with some theoretical and experimental works and a qualitatively good agreement is found. Finally, the dynamic phase diagrams depending on the frequency of an oscillating magnetic field in the plane of the reduced temperature versus magnetic field amplitude is examined and it is found that the dynamic phase diagrams display richer dynamic critical behavior for higher values of frequency than for lower values.

Crucial role of dynamic linker histone binding and divalent ions for DNA accessibility and gene regulation revealed by mesoscale modeling of oligonucleosomes

Science.gov (United States)

Collepardo-Guevara, Rosana; Schlick, Tamar

2012-01-01

Monte Carlo simulations of a mesoscale model of oligonucleosomes are analyzed to examine the role of dynamic-linker histone (LH) binding/unbinding in high monovalent salt with divalent ions, and to further interpret noted chromatin fiber softening by dynamic LH in monovalent salt conditions. We find that divalent ions produce a fiber stiffening effect that competes with, but does not overshadow, the dramatic softening triggered by dynamic-LH behavior. Indeed, we find that in typical in vivo conditions, dynamic-LH binding/unbinding reduces fiber stiffening dramatically (by a factor of almost 5, as measured by the elasticity modulus) compared with rigidly fixed LH, and also the force needed to initiate chromatin unfolding, making it consistent with those of molecular motors. Our data also show that, during unfolding, divalent ions together with LHs induce linker-DNA bending and DNA–DNA repulsion screening, which guarantee formation of heteromorphic superbeads-on-a-string structures that combine regions of loose and compact fiber independently of the characteristics of the LH–core bond. These structures might be important for gene regulation as they expose regions of the DNA selectively. Dynamic control of LH binding/unbinding, either globally or locally, in the presence of divalent ions, might constitute a mechanism for regulation of gene expression. PMID:22790986

Multi-Dielectric Brownian Dynamics and Design-Space-Exploration Studies of Permeation in Ion Channels.

Science.gov (United States)

Siksik, May; Krishnamurthy, Vikram

2017-09-01

This paper proposes a multi-dielectric Brownian dynamics simulation framework for design-space-exploration (DSE) studies of ion-channel permeation. The goal of such DSE studies is to estimate the channel modeling-parameters that minimize the mean-squared error between the simulated and expected "permeation characteristics." To address this computational challenge, we use a methodology based on statistical inference that utilizes the knowledge of channel structure to prune the design space. We demonstrate the proposed framework and DSE methodology using a case study based on the KcsA ion channel, in which the design space is successfully reduced from a 6-D space to a 2-D space. Our results show that the channel dielectric map computed using the framework matches with that computed directly using molecular dynamics with an error of 7%. Finally, the scalability and resolution of the model used are explored, and it is shown that the memory requirements needed for DSE remain constant as the number of parameters (degree of heterogeneity) increases.

Nondegenerate Four-Wave Mixing in Gold Nanocomposites Formed by Ion Implantation

International Nuclear Information System (INIS)

Saonov, V.P.; Zhu, J.G.; Lepeshkin, N.N.; Armstrong, R.L.; Shalaev, V.M.; Ying, Z.C.; White, C.W.; Zuhr, R.A.

1999-01-01

Nondegenerate four-wave mixing technique has been used to investigate the third-order nonlinear susceptibility for nanocomposite material with Au nanocrystals formed inside a SiO 2 glass matrix. High concentrations of encapsulated Au nanocrystals are formed by implantation of Au ions into fused silica glass substrates and thermal annealing. The size distribution and the depth profiles of the Au nanoparticles can be controlled by the implantation dose, energy and annealing temperatures. The high value of the third-order susceptibility - (0.26--1.3)x10 -7 esu was found in the range of the frequency detunings near the surface plasmon resonance. Two characteristic relaxation times, 0.66 ps and 5.3 ps, have been extracted from the detuning curve of the third-order susceptibility as the probe-beam frequency changes and the pump-beam frequency fixed at the plasmon resonance. The first relaxation time was attributed to electron-phonon relaxation, and the second to thermal diffusion to the host medium. The efficient nondegenerate conversion is attractive for optical processing

Influence of plasma density and plasma sheath dynamics on the ion implantation by plasma immersion technique

OpenAIRE

Ensinger, Wolfgang

1996-01-01

Influence of plasma density and plasma sheath dynamics on the ion implantation by plasma immersion technique / B. Rauschenbach ... - In: Nuclear instruments and methods in physics research. B. 113. 1996. S. 266-269

Classical molecular dynamics simulation of weakly-bound projectile heavy-ion reactions

Directory of Open Access Journals (Sweden)

Morker Mitul R.

2015-01-01

Full Text Available A 3-body classical molecular dynamics approach for heavy-ion reactions involving weakly bound projectiles is developed. In this approach a weakly bound projectile is constructed as a two-body cluster of the constituent tightly bound nuclei in a configuration corresponding to the observed breakup energy. This 3-body system with their individual nucleon configuration in their ground state is dynamically evolved for given initial conditions using the three-stage classical molecular dynamics approach (3S-CMD. Various levels of rigidbody constraints on the projectile constituents and the target are considered at appropriate stages. This 3-dimensional approach explicitly takes into account not only the long range Coulomb reorientation of the deformed collision partner but internal excitations and breakup probabilities at distances close to the barrier also. Dynamical simulations of 6Li+209Bi show all the possible reaction mechanism like complete fusion, incomplete fusion, scattering and breakup scattering. Complete fusion cross sections of 6Li+209Bi and 7Li+209Bi reactions are calculated in this approach with systematic relaxations of the rigid-body constraints on one or more constituent nuclei.

Computational fluid dynamics study on mixing mode and power consumption in anaerobic mono- and co-digestion.

Science.gov (United States)

Zhang, Yuan; Yu, Guangren; Yu, Liang; Siddhu, Muhammad Abdul Hanan; Gao, Mengjiao; Abdeltawab, Ahmed A; Al-Deyab, Salem S; Chen, Xiaochun

2016-03-01

Computational fluid dynamics (CFD) was applied to investigate mixing mode and power consumption in anaerobic mono- and co-digestion. Cattle manure (CM) and corn stover (CS) were used as feedstock and stirred tank reactor (STR) was used as digester. Power numbers obtained by the CFD simulation were compared with those from the experimental correlation. Results showed that the standard k-ε model was more appropriate than other turbulence models. A new index, net power production instead of gas production, was proposed to optimize feedstock ratio for anaerobic co-digestion. Results showed that flow field and power consumption were significantly changed in co-digestion of CM and CS compared with those in mono-digestion of either CM or CS. For different mixing modes, the optimum feedstock ratio for co-digestion changed with net power production. The best option of CM/CS ratio for continuous mixing, intermittent mixing I, and intermittent mixing II were 1:1, 1:1 and 1:3, respectively. Copyright © 2016. Published by Elsevier Ltd.

Ab initio molecular dynamics approach to a quantitative description of ion pairing in water

Czech Academy of Sciences Publication Activity Database

Pluhařová, Eva; Maršálek, Ondřej; Schmidt, B.; Jungwirth, Pavel

2013-01-01

Roč. 4, č. 23 (2013), s. 4177-4181 ISSN 1948-7185 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : ion pairing * charge transfer * water * ab initio molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.687, year: 2013

Ion dynamics in moltmolti melkaltal nitrates

International Nuclear Information System (INIS)

Kamiyama, Takashi; Nakamura, Yoshio; Shibata, Kaoru; Suzuki, Kenji.

1993-01-01

Quasielastic neutron scattering experiments have been performed on simple molten alkali metal nitrates, RbNO 3 and LiNO 3 . The experiments were carried out by the medium resolution inverted geometry spectrometer LAM-40 at KENS neutron scattering facility in Japan. The measured spectra are composed of narrow and broad quasielastic spectra. We assigned that the broad component corresponds to the fast intra-ionic motions in a nitrate ion. From momentum dependence of integrated intensity for this component it is found that the motion of nitrate ions in RbNO 3 melt is mainly the librational one centered C 3 axis on the ion. On the other hand the intra-ionic motion in LiNo 3 is the librational motion cnetered C 3 axis on the nitrate ion which amplitude is smaller than in RbNO 3 melt. This fact shows that the motion of nitrate ions in LiNO 3 is restricted strongly by surrounding cations. (author)

Ultrafast Dynamics in Vanadium Dioxide: Separating Spatially Segregated Mixed Phase Dynamics in the Time-domain

Science.gov (United States)

Hilton, David

2011-10-01

In correlated electronic systems, observed electronic and structural behavior results from the complex interplay between multiple, sometimes competing degrees-of- freedom. One such material used to study insulator-to-metal transitions is vanadium dioxide, which undergoes a phase transition from a monoclinic-insulating phase to a rutile-metallic phase when the sample is heated to 340 K. The major open question with this material is the relative influence of this structural phase transition (Peirels transition) and the effects of electronic correlations (Mott transition) on the observed insulator-to-metal transition. Answers to these major questions are complicated by vanadium dioxide's sensitivity to perturbations in the chemical structure in VO2. For example, related VxOy oxides with nearly a 2:1 ratio do not demonstrate the insulator-to- metal transition, while recent work has demonstrated that W:VO2 has demonstrated a tunable transition temperature controllable with tungsten doping. All of these preexisting results suggest that the observed electronic properties are exquisitely sensitive to the sample disorder. Using ultrafast spectroscopic techniques, it is now possible to impulsively excite this transition and investigate the photoinduced counterpart to this thermal phase transition in a strongly nonequilibrium regime. I will discuss our recent results studying the terahertz-frequency conductivity dynamics of this photoinduced phase transition in the poorly understood near threshold temperature range. We find a dramatic softening of the transition near the critical temperature, which results primarily from the mixed phase coexistence near the transition temperature. To directly study this mixed phase behavior, we directly study the nucleation and growth rates of the metallic phase in the parent insulator using non-degenerate optical pump-probe spectroscopy. These experiments measure, in the time- domain, the coexistent phase separation in VO2 (spatially

Plasma immersion surface modification with metal ion plasma

International Nuclear Information System (INIS)

Brown, I.G.; Yu, K.M.; Godechot, X.

1991-04-01

We describe here a novel technique for surface modification in which metal plasma is employed and by which various blends of plasma deposition and ion implantation can be obtained. The new technique is a variation of the plasma immersion technique described by Conrad and co-workers. When a substrate is immersed in a metal plasma, the plasma that condenses on the substrate remains there as a film, and when the substrate is then implanted, qualitatively different processes can follow, including' conventional' high energy ion implantation, recoil implantation, ion beam mixing, ion beam assisted deposition, and metallic thin film and multilayer fabrication with or without species mixing. Multiple metal plasma guns can be used with different metal ion species, films can be bonded to the substrate through ion beam mixing at the interface, and multilayer structures can be tailored with graded or abrupt interfaces. We have fabricated several different kinds of modified surface layers in this way. 22 refs., 4 figs

Synthesis and Characterization of Mixed Iron-Manganese Oxide Nanoparticles and Their Application for Efficient Nickel Ion Removal from Aqueous Samples

Science.gov (United States)

Serra, Antonio; Monteduro, Anna Grazia; Padmanabhan, Sanosh Kunjalukkal; Licciulli, Antonio; Bonfrate, Valentina; Salvatore, Luca; Calcagnile, Lucio

2017-01-01

Mixed iron-manganese oxide nanoparticles, synthesized by a simple procedure, were used to remove nickel ion from aqueous solutions. Nanostructures, prepared by using different weight percents of manganese, were characterized by transmission electron microscopy, selected area diffraction, X-ray diffraction, Raman spectroscopy, and vibrating sample magnetometry. Adsorption/desorption isotherm curves demonstrated that manganese inclusions enhance the specific surface area three times and the pores volume ten times. This feature was crucial to decontaminate both aqueous samples and food extracts from nickel ion. Efficient removal of Ni2+ was highlighted by the well-known dimethylglyoxime test and by ICP-MS analysis and the possibility of regenerating the nanostructure was obtained by a washing treatment in disodium ethylenediaminetetraacetate solution. PMID:28804670

Novel metal ion surface modification technique

International Nuclear Information System (INIS)

Brown, I.G.; Godechot, X.; Yu, K.M.

1990-10-01

We describe a method for applying metal ions to the near-surface region of solid materials. The added species can be energetically implanted below the surface or built up as a surface film with an atomically mixed interface with the substrate; the metal ion species can be the same as the substrate species or different from it, and more than one kind of metal species can be applied, either simultaneously or sequentially. Surface structures can be fabricated, including coatings and thin films of single metals, tailored alloys, or metallic multilayers, and they can be implanted or added onto the surface and ion beam mixed. We report two simple demonstrations of the method: implantation of yttrium into a silicon substrate at a mean energy of 70 keV and a dose of 1 x 10 16 atoms/cm 2 , and the formation of a titanium-yttrium multilayer structure with ion beam mixing to the substrate. 17 refs., 3 figs

Ion Dynamics Study of Potato Starch + Sodium Salts Electrolyte System

Directory of Open Access Journals (Sweden)

Tuhina Tiwari

2013-01-01

Full Text Available The effect of different anions, namely, SCN−, I−, and ClO4−, on the electrical properties of starch-based polymer electrolytes has been studied. Anion size and conductivity are having an inverse trend indicating systems to be predominantly anionic conductor. Impact of anion size and multiplet forming tendency is reflected in number of charge carriers and mobility, respectively. Ion dynamics study reveals the presence of different mechanisms in different frequency ranges. Interestingly, superlinear power law (SLPL is found to be present at <5 MHz frequency, which is further confirmed by dielectric data.

Transition to Collisionless Ion-Temperature-Gradient-Driven Plasma Turbulence: A Dynamical Systems Approach

International Nuclear Information System (INIS)

Kolesnikov, R.A.; Krommes, J.A.

2005-01-01

The transition to collisionless ion-temperature-gradient-driven plasma turbulence is considered by applying dynamical systems theory to a model with 10 degrees of freedom. The study of a four-dimensional center manifold predicts a 'Dimits shift' of the threshold for turbulence due to the excitation of zonal flows and establishes (for the model) the exact value of that shift

Molecular dynamic simulation of interaction of low-energy Ar and Xe ions with copper clusters at graphite surface

International Nuclear Information System (INIS)

Kornich, G.V.; Lozovskaya, L.I.; Betts, G.; Zaporozhchenko, V.I.; Faupel, F.

2005-01-01

One conducted molecular and dynamic simulation of sputtering of isolated clusters consisting of 13, 27 and 195 Cu atoms from the (0001) graphite surface by 200 eV energy Ar and Xe ions. It is shown that the factors of reflection of Ar and Xe ions from copper clusters differ from one another insignificantly, though the energy of the reflected Xe ions is essentially lower than that of Ar ions. The values of the factor of cluster sputtering by Xe ions are higher in contrast to sputtering by Ar ions. One identified two mechanisms of cluster sputtering resulting in the maximum of sputtering intensity at the polar angles near the normal one, and in periodicity of maximums within the azimuth distributions of sputtering intensity with 60 deg period [ru

Mixed integer linear programming model for dynamic supplier selection problem considering discounts

Directory of Open Access Journals (Sweden)

Adi Wicaksono Purnawan

2018-01-01

Full Text Available Supplier selection is one of the most important elements in supply chain management. This function involves evaluation of many factors such as, material costs, transportation costs, quality, delays, supplier capacity, storage capacity and others. Each of these factors varies with time, therefore, supplier identified for one period is not necessarily be same for the next period to supply the same product. So, mixed integer linear programming (MILP was developed to overcome the dynamic supplier selection problem (DSSP. In this paper, a mixed integer linear programming model is built to solve the lot-sizing problem with multiple suppliers, multiple periods, multiple products and quantity discounts. The buyer has to make a decision for some products which will be supplied by some suppliers for some periods cosidering by discount. To validate the MILP model with randomly generated data. The model is solved by Lingo 16.

Dynamics of polyelectrolyte adsorption and colloidal flocculation upon mixing studied using mono-dispersed polystyrene latex particles

NARCIS (Netherlands)

Feng, Lili; Cohen Stuart, Martien; Adachi, Yasuhisa

2015-01-01

The dynamic behavior of polyelectrolytes just after their encounter with the surface of bare colloidal particles is analyzed, using the flocculation properties of mono-dispersed polystyrene latex (PSL) particles. Applying a Standardized Colloid Mixing (SCM) approach, effects of ionic strength and

Energy landscapes for mobile ions in ion conducting solids

Indian Academy of Sciences (India)

molecular dynamics (MD) simulations yields quantitative predictions of the ion transport characteristics. As ... Solid electrolytes; bond valence analysis; ion transport in glasses. 1. .... clusters are considered to contribute only to a.c. conduc-.

High-precision spectrometer for studies of ion-induced and spontaneous fission dynamics

International Nuclear Information System (INIS)

Batenkov, O.; Elmgren, K.; Majorov, M.; Blomgren, J.; Conde, H.; Hultqvist, S.; Olsson, N.; Rahm, J.; Ramstroem, E.; Smirnov, S.; Veshikov, A.

1997-01-01

A spectrometer has been designed and built to investigate the dynamics of spontaneous and ion-induced fission processes. It consists of 8 neutron detectors surrounding a low mass scattering chamber containing the fissionable targets and two fission fragment telescopes. The spectrometer measures neutron spectra, and energy and angular correlations of neutrons, as well as kinetic energy, mass, and relative angle of fission fragments. A 252 Cf fission reference source is used for calibration. (orig.)

Quantum molecular dynamics simulations of warm dense lithium hydride: Examination of mixing rules

International Nuclear Information System (INIS)

Horner, D. A.; Kress, J. D.; Collins, L. A.

2008-01-01

We have performed a systematic study of lithium hydride (LiH) in a density range from half to twice solid for temperatures from 0.5 to 3.0 eV using quantum molecular dynamics (QMD) methods and have tested density and pressure mixing rules for obtaining equations of state and optical properties such as frequency-dependent absorption coefficients and Rosseland mean opacities. The QMD simulations for the full LiH fluid served as a benchmark against which to assess the rules. In general, the mixing rule based on the pressure matching produces superior equations of state and mean opacities for the mixture except at the very lowest temperatures and densities. However, the frequency-dependent absorption coefficients displayed considerable differences in some frequency ranges except at the highest temperatures and densities

Low energy ion-molecule reaction dynamics and chemiionization kinetics: Progress report, February 1, 1985-January 31, 1988

International Nuclear Information System (INIS)

Farrar, J.M.

1988-01-01

The research program at Rochester is devoted to an understanding of the dynamics of elementary gas phase ionic reactions by using the molecular beam methods. We seek to elucidate pathways for energy disposal in elementary reactions, with the goal of using this information to understand the topology of the potential surfaces which govern the reaction, applying the results to ionic channels in combustion systems. We have made significant accomplishments in several distinct areas of research in crossed beam studies of ion-neutral reaction dynamics in the past three years. Our research has focused on the following topics and has resulted in 15 publications and submissions to major journals, with several additional manuscripts in preparation: dynamics of gas phase proton transfer reactions, gas phase carbon and methyl cation chemistry, reactive scattering from double minimum potentials, reactions of highly vibrationally excited ions: NH 3 + + D 2 , and electron and proton transfer reactions of anions. 9 refs

Resonantly enhanced spin-lattice relaxation of Mn2 + ions in diluted magnetic (Zn,Mn)Se/(Zn,Be)Se quantum wells

Science.gov (United States)

Debus, J.; Ivanov, V. Yu.; Ryabchenko, S. M.; Yakovlev, D. R.; Maksimov, A. A.; Semenov, Yu. G.; Braukmann, D.; Rautert, J.; Löw, U.; Godlewski, M.; Waag, A.; Bayer, M.

2016-05-01

The dynamics of spin-lattice relaxation in the magnetic Mn2 + ion system of (Zn,Mn)Se/(Zn,Be)Se quantum-well structures are studied using optical methods. Pronounced cusps are found in the giant Zeeman shift of the quantum-well exciton photoluminescence at specific magnetic fields below 10 T, when the Mn spin system is heated by photogenerated carriers. The spin-lattice relaxation time of the Mn ions is resonantly accelerated at the cusp magnetic fields. Our theoretical analysis demonstrates that a cusp occurs at a spin-level mixing of single Mn2 + ions and a quick-relaxing cluster of nearest-neighbor Mn ions, which can be described as intrinsic cross-relaxation resonance within the Mn spin system.

History-dependent dynamics in a generic model of ion channels - an analytic study

Directory of Open Access Journals (Sweden)

Daniel Soudry

2010-04-01

Full Text Available Recent experiments have demonstrated that the timescale of adaptation of single neurons and ion channel populations to stimuli slows down as the length of stimulation increases; in fact, no upper bound on temporal time-scales seems to exist in such systems. Furthermore, patch clamp experiments on single ion channels have hinted at the existence of large, mostly unobservable, inactivation state spaces within a single ion channel. This raises the question of the relation between this multitude of inactivation states and the observed behavior. In this work we propose a minimal model for ion channel dynamics which does not assume any specific structure of the inactivation state space. The model is simple enough to render an analytical study possible. This leads to a clear and concise explanation of the experimentally observed exponential history-dependent relaxation in sodium channels in a voltage clamp setting, and shows that their recovery rate from slow inactivation must be voltage dependent. Furthermore, we predict that history-dependent relaxation cannot be created by overly sparse spiking activity. While the model was created with ion channel populations in mind, its simplicity and genericalness render it a good starting point for modeling similar effects in other systems, and for scaling up to higher levels such as single neurons which are also known to exhibit multiple time scales.

Simultaneous ion and neutral evaporation in aqueous nanodrops: experiment, theory, and molecular dynamics simulations.

Science.gov (United States)

Higashi, Hidenori; Tokumi, Takuya; Hogan, Christopher J; Suda, Hiroshi; Seto, Takafumi; Otani, Yoshio

2015-06-28

We use a combination of tandem ion mobility spectrometry (IMS-IMS, with differential mobility analyzers), molecular dynamics (MD) simulations, and analytical models to examine both neutral solvent (H2O) and ion (solvated Na(+)) evaporation from aqueous sodium chloride nanodrops. For experiments, nanodrops were produced via electrospray ionization (ESI) of an aqueous sodium chloride solution. Two nanodrops were examined in MD simulations: a 2500 water molecule nanodrop with 68 Na(+) and 60 Cl(-) ions (an initial net charge of z = +8), and (2) a 1000 water molecule nanodrop with 65 Na(+) and 60 Cl(-) ions (an initial net charge of z = +5). Specifically, we used MD simulations to examine the validity of a model for the neutral evaporation rate incorporating both the Kelvin (surface curvature) and Thomson (electrostatic) influences, while both MD simulations and experimental measurements were compared to predictions of the ion evaporation rate equation of Labowsky et al. [Anal. Chim. Acta, 2000, 406, 105-118]. Within a single fit parameter, we find excellent agreement between simulated and modeled neutral evaporation rates for nanodrops with solute volume fractions below 0.30. Similarly, MD simulation inferred ion evaporation rates are in excellent agreement with predictions based on the Labowsky et al. equation. Measurements of the sizes and charge states of ESI generated NaCl clusters suggest that the charge states of these clusters are governed by ion evaporation, however, ion evaporation appears to have occurred with lower activation energies in experiments than was anticipated based on analytical calculations as well as MD simulations. Several possible reasons for this discrepancy are discussed.

Three-Dimensional Dynamics of Breakout Afterburner Ion Acceleration Using High-Contrast Short-Pulse Laser and Nanoscale Targets

International Nuclear Information System (INIS)

Yin, L.; Albright, B. J.; Bowers, K. J.; Fernandez, J. C.; Jung, D.; Hegelich, B. M.

2011-01-01

Breakout afterburner (BOA) laser-ion acceleration has been demonstrated for the first time in the laboratory. In the BOA, an initially solid-density target undergoes relativistically induced transparency, initiating a period of enhanced ion acceleration. First-ever kinetic simulations of the BOA in three dimensions show that the ion beam forms lobes in the direction orthogonal to laser polarization and propagation. Analytic theory presented for the electron dynamics in the laser ponderomotive field explains how azimuthal symmetry breaks even for a symmetric laser intensity profile; these results are consistent with recent experiments at the Trident laser facility.

Monte Carlo simulations of silicon sputtering by argon ions and an approach for comparison with molecular dynamic results

Energy Technology Data Exchange (ETDEWEB)

Feder, Rene; Frost, Frank; Mayr, Stefan G.; Neumann, Horst; Bundesmann, Carsten [Leibniz-Institut fuer Oberflaechenmodifizierung e.V., Leipzig (Germany)

2012-07-01

Ion beam sputter processes deliver some intrinsic features influencing the growing film properties. Utilisation of these features needs to know how primary ion properties and geometrical process conditions influence the energy and spatial distribution of the sputtered and scattered particles. Beside complex experiments simulations are helpful to explain the correlation between primary parameters and thin film properties. The paper presents first results of two simulation codes with completely different approaches: Monte Carlo (MC) calculations with help of the well known TRIM.SP code and Molecular Dynamics calculations with an in-house developed code. First results of both simulation principles are compared for Argon ion bombardment on a Silicon target. Furthermore, a special experimental setup is outlined for validation of modelling. The setup allows the variation of ion beam parameters (ion species, ion energy, ion incidence angle on the target) and the measurement of the properties of sputtered and scattered particles.

Effects of fast monoenergetic electrons on the ion dynamics near the cathode in a pulsed direct current plasma sheath

International Nuclear Information System (INIS)

Sharifian, M.; Shokri, B.

2008-01-01

A detailed one-dimensional simulation of the ion dynamics of the plasma sheath near a substrate (cathode) in the presence of fast monoenergetic electrons has been carried out in this article. The sheath evolution is investigated by using a fluid model assuming that the ions, plasma electrons and monoenergetic, fast electrons act as three fluids (fluid approach). The effect of the density of fast electrons on the ion density, ion velocity, and ion energy near the cathode and the evolution of the sheath boundary in front of the cathode are separately explored. Also, the variation of the ion velocity and ion density at the vicinity of the cathode as a function of time is investigated in the absence and presence of the electron beam. Results indicate that the presence of fast electrons in the sheath causes significant change in the sheath thickness and therefore basically changes the ion velocity, ion density, and ion impact energy on the cathode compared to the absence of the electron beam case

Structure and dynamics of ion clusters in linear octupole traps: Phase diagrams, chirality, and melting mechanisms

International Nuclear Information System (INIS)

Yurtsever, E.; Onal, E. D.; Calvo, F.

2011-01-01

The stable structures and melting dynamics of clusters of identical ions bound by linear octupole radiofrequency traps are theoretically investigated by global optimization methods and molecular dynamics simulations. By varying the cluster sizes in the range of 10-1000 ions and the extent of trap anisotropy by more than one order of magnitude, we find a broad variety of stable structures based on multiple rings at small sizes evolving into tubular geometries at large sizes. The binding energy of these clusters is well represented by two contributions arising from isotropic linear and octupolar traps. The structures generally exhibit strong size effects, and chiral arrangements spontaneously emerge in many crystals. Sufficiently large clusters form nested, coaxial tubes with different thermal stabilities. As in isotropic octupolar clusters, the inner tubes melt at temperatures that are lower than the overall melting point.

Structural and Dynamical Properties of Alkaline Earth Metal Halides in Supercritical Water: Effect of Ion Size and Concentration.

Science.gov (United States)

Keshri, Sonanki; Tembe, B L

2017-11-22

Constant temperature-constant pressure molecular dynamics simulations have been performed for aqueous alkaline earth metal chloride [M 2+ -Cl - (M = Mg, Ca, Sr, and Ba)] solutions over a wide range of concentrations (0.27-5.55 m) in supercritical (SC) and ambient conditions to investigate their structural and dynamical properties. A strong influence of the salt concentration is observed on the ion-ion pair correlation functions in both ambient and SC conditions. In SC conditions, significant clustering is observed in the 0.27 m solution, whereas the reverse situation is observed at room temperature and this is also supported by the residence times of the clusters. The concentration and ion size (cation size) seem to have opposite effects on the average number of hydrogen bonds. The simulation results show that the self-diffusion coefficients of water, cations, and the chloride ion increase with increasing temperature, whereas they decrease with increasing salt concentration. The cluster size distribution shows a strong density dependence in both ambient and SC conditions. In SC conditions, cluster sizes display a near-Gaussian distribution, whereas the distribution decays monotonically in ambient conditions.

Dynamical calculations of nuclear fission and heavy-ion reactions

International Nuclear Information System (INIS)

Nix, J.R.; Sierk, A.J.

1984-01-01

With the goal of determining the magnitude and mechanism of nuclear dissipation from comparisons of predictions with experimental data, we describe recent calculations in a unified macroscopic-microscopic approach to large-amplitude collective nuclear motion such as occurs in fission and heavy-ion reactions. We describe the time dependence of the distribution function in phase space of collective coordinates and momenta by a generalized Fokker-Planck equation. The nuclear potential energy of deformation is calculated as the sum of repulsive Coulomb and centrifugal energies and an attractive Yukawa-plus-exponential potential, the inertia tensor is calculated for a superposition of rigid-body rotation and incompressible, nearly irrotational flow by use of the Werner-Wheeler method, and the dissipation ensor that describes the conversion of collective energy into single-particle excitation energy is calculated for two prototype mechanisms that represent opposite extremes of large and small dissipation. We solve the generalized Hamilton equations of motion for the first moments of the distribution function to obtain the mean translational fission-fragment kinetic energy and mass of a third fragment that sometimes forms between the two end fragments, as well as dynamical thresholds, capture cross sections, and ternary events in heavy-ion reactions. 33 references

Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

International Nuclear Information System (INIS)

Bradforth, S.E.

1992-11-01

The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound → bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN - , NCO - and NCS - . Transition state photoelectron spectra are presented for the following systems Br + HI, Cl + HI, F + HI, F + CH 3 0H,F + C 2 H 5 OH,F + OH and F + H 2 . A time dependent framework for the simulation and interpretation of the bound → free transition state photoelectron spectra is subsequently developed and applied to the hydrogen transfer reactions Br + HI, F + OH → O( 3 P, 1 D) + HF and F + H 2 . The theoretical approach for the simulations is a fully quantum-mechanical wave packet propagation on a collinear model reaction potential surface. The connection between the wavepacket time evolution and the photoelectron spectrum is given by the time autocorrelation function. For the benchmark F + H 2 system, comparisons with three-dimensional quantum calculations are made

Synthesis and Characterization of Mixed Iron-Manganese Oxide Nanoparticles and Their Application for Efficient Nickel Ion Removal from Aqueous Samples

Directory of Open Access Journals (Sweden)

Alessandro Buccolieri

2017-01-01

Full Text Available Mixed iron-manganese oxide nanoparticles, synthesized by a simple procedure, were used to remove nickel ion from aqueous solutions. Nanostructures, prepared by using different weight percents of manganese, were characterized by transmission electron microscopy, selected area diffraction, X-ray diffraction, Raman spectroscopy, and vibrating sample magnetometry. Adsorption/desorption isotherm curves demonstrated that manganese inclusions enhance the specific surface area three times and the pores volume ten times. This feature was crucial to decontaminate both aqueous samples and food extracts from nickel ion. Efficient removal of Ni2+ was highlighted by the well-known dimethylglyoxime test and by ICP-MS analysis and the possibility of regenerating the nanostructure was obtained by a washing treatment in disodium ethylenediaminetetraacetate solution.

Dynamic dipole polarizabilities of the Li atom and the Be+ ion

International Nuclear Information System (INIS)

Tang Liyan; Yan Zongchao; Shi Tingyun; Mitroy, J.

2010-01-01

The dynamic dipole polarizabilities for Li atoms and Be + ions in the 2 2 S and 2 2 P states are calculated using the variational method with a Hylleraas basis. The present polarizabilities represent the definitive values in the nonrelativistic limit. Corrections due to relativistic effects are also estimated. Analytic representations of the polarizabilities for frequency ranges encompassing the n=3 excitations are presented. The recommended polarizabilities for 7 Li and 9 Be + are 164.11±0.03 a 0 3 and 24.489±0.004 a 0 3 , respectively.

Dynamic magnetic properties of the mixed spin-1 and spin-3/2 Ising system on a two-layer square lattice

International Nuclear Information System (INIS)

Temizer, Ümüt

2014-01-01

In this study, the dynamic critical behavior of the mixed spin-1 and spin-3/2 Ising system on a bilayer square lattice is studied by using the Glauber-type stochastic dynamics for both ferromagnetic/ferromagnetic (FM/FM) and antiferromagnetic/ferromagnetic (AFM/FM) interactions in the presence of a time-varying external magnetic field. The dynamic equations describing the time-dependencies of the average magnetizations are derived from the Master equation. The phases in the system are obtained by solving these dynamic equations. The temperature dependence of the dynamic magnetizations is investigated in order to characterize the nature (first- or second-order) of the dynamic phase transitions and to obtain the dynamic phase transition temperatures. The dynamic phase diagrams are constructed in seven different planes for both FM/FM and AFM/FM interactions and the effects of the related interaction parameters on the dynamic phase diagrams are examined. It is found that the dynamic phase diagrams display many dynamic critical points, such as tricritical point, triple point (TP), quadruple point (QP), double critical end point (B), multicritical point (A) and tetracritical point (M). Moreover, the reentrant behavior is observed for AFM/FM interaction in the system. - Highlights: • The mixed spin (1, 3/2) Ising system is studied on a two-layer square lattice. • The Glauber transition rates are employed to construct the dynamic equations. • The dynamic phase diagrams are presented in seven different planes. • The system displays many dynamic critical points. • The reentrant behavior is observed for AFM/FM interaction

Adsorption of mercury ions from wastewater by a hyperbranched and multi-functionalized dendrimer modified mixed-oxides nanoparticles.

Science.gov (United States)

Arshadi, M; Mousavinia, F; Khalafi-Nezhad, A; Firouzabadi, H; Abbaspourrad, A

2017-11-01

In this paper, a novel heterogeneous nanodendrimer with generation of G2.0 was prepared by individual grafting of diethylenetriamine, triazine and l-cysteine methyl ester on the modified aluminum-silicate mixed oxides as a potent adsorbent of Hg(II) ions from aqueous media. The prepared nanodendrimer was characterized by nuclear magnetic resonance spectrum ( 1 H NMR and 13 C NMR), Fourier transform infrared spectroscopy (FT-IR), Diffuse reflectance UV-Vis spectroscopy (DR UV-Vis), zeta potential (ζ), inductively coupled plasma atomic emission spectroscopy (ICP-AES), transmission electron microscopy (TEM), scanning electron microscopy (SEM), nitrogen adsorption experiments at -196°C and elemental analysis. Equilibrium and kinetic models for Hg(II) ions removal were used by investigating the effect of the contact time, adsorbent dosage, initial Hg(II) ions concentrations, effect of solution's temperature, interfering ions, and initial pH. The contact time to approach equilibrium for higher removal was 6min (3232mgg -1 ). The removal of Hg(II) ions has been assessed in terms of pseudo-first- and -second-order kinetics, and the Freundlich, Langmuir and Sips isotherms models have also been applied to the equilibrium removal data. The removal kinetics followed the mechanism of the pseudo-second order equation, where the chemical sorption is the rate-limiting step of removal process and not involving mass transfer in solution, which was further proved by several techniques such as zeta potential, FT-IR and DS UV-vis. The thermodynamic parameters (ΔG, ΔH and ΔS) implied that the removal of mercury ions was feasible, spontaneous and chemically exothermic in nature between 15 and 80°C. The nanodendrimer indicated high reusability due to its high removal ability after 15 adsorption-desorption runs. The adsorption mechanisms of Hg(II) ions onto the nanodendrimer was further studied by diverse techniques such as FTIR, EDS, zeta potential, DR UV-Vis spectroscopy and SEM

Dynamics of water and ions in clays of type montmorillonite by microscopic simulation and quasi-elastic neutron scattering; Dynamique de l'eau et des ions dans des argiles de type montmorillonite par simulation microscopique et diffusion quasi-elastique des neutrons

Energy Technology Data Exchange (ETDEWEB)

Malikova, N

2005-09-15

Montmorillonite clays in low hydration states, with Na{sup +} and Cs{sup +} compensating counter ions, are investigated by a combination of microscopic simulation and quasi-elastic neutron scattering to obtain information on the local structure and dynamics of water and ions in the interlayer. At first predictions of simulation into the dynamics of water and ions at elevate temperatures are shown (0 deg C 80 deg C, pertinent for the radioactive waste disposal scenario) Marked difference is observed between the modes of diffusion of the Na{sup +} and C{sup +} counter ions. In water dynamics, a significant step towards bulk water behaviour is seen on transition from the mono- to bilayer states. Secondly, a detailed comparison between simulation and quasi-elastic neutron scattering (Neutron Spin Echo and Time-of-Flight) regarding ambient temperature water dynamics is presented. Overall, the approaches are found to be in good agreement with each other and limitations of each of the methods are clearly shown. (author)

Formation of Mixed-Ligand Complexes of Pd2+ with Nucleoside 5'-Monophosphates and Some Metal-Ion-Binding Nucleoside Surrogates

Directory of Open Access Journals (Sweden)

Oleg Golubev

2014-10-01

Full Text Available Formation of mixed-ligand Pd2+ complexes between canonical nucleoside 5'-monophosphates and five metal-ion-binding nucleoside analogs has been studied by 1H-NMR spectroscopy to test the ability of these nucleoside surrogates to discriminate between unmodified nucleobases by Pd2+-mediated base pairing. The nucleoside analogs studied included 2,6-bis(3,5-dimethylpyrazol-1-yl-, 2,6-bis(1-methylhydrazinyl- and 6-(3,5-dimethylpyrazol-1-yl-substituted 9-(β-d-ribofuranosylpurines 1–3, and 2,4-bis(3,5-dimethylpyrazol-1-yl- and 2,4-bis(1-methylhydrazinyl-substituted 5-(β-d-ribofuranosyl-pyrimidines 4–5. Among these, the purine derivatives 1-3 bound Pd2+ much more tightly than the pyrimidine derivatives 4, 5 despite apparently similar structures of the potential coordination sites. Compounds 1 and 2 formed markedly stable mixed-ligand Pd2+ complexes with UMP and GMP, UMP binding favored by 1 and GMP by 2. With 3, formation of mixed-ligand complexes was retarded by binding of two molecules of 3 to Pd2+.

Structure and dynamics of hydrated Fe(II) and Fe(III) ions. Quantum mechanical and molecular mechanical simulations

International Nuclear Information System (INIS)

Remsungnen, T.

2002-11-01

Classical molecular dynamics (MD) and combined em ab initio quantum mechanical/molecular mechanical molecular dynamics (QM/MM-MD) simulations have been performed to investigate structural, dynamical and energetical properties of Fe(II), and Fe(III) transition metal ions in aqueous solution. In the QM/MM-MD simulations the ion and its first hydration sphere were treated at the Hartree-Fock ab initio quantum mechanical level, while ab initio generated pair plus three-body potentials were employed for the remaining system. For the classical MD simulation the pair plus three-body potential were employed for all ion-water interactions. The coordination number of the first hydration shell is 100 % of 6 in both cases. The number of waters in the second hydration shell obtained from classical simulations are 13.4 and 15.1 for Fe(II) and Fe(III), respectively, while QM/MM-MD gives the values of 12.4 and 13.4 for Fe(II) and Fe(III). The energies of hydration obtained from MD and QM/MM-MD for Fe(II) are 520 and 500 kcal/mol, and for Fe(III) 1160 and 1100 kcal/mol respectively. The mean residence times of water in the second shell obtained from QM/MM-MD are 24 and 48 ps for Fe(II) and Fe(III), respectively. In contrast to the data obtained from classical MD simulation, the QM/MM-MD values are all in good agreement with the experimental data available. These investigations and results clearly indicate that many-body effects are essential for the proper description of all properties of the aqueous solution of both Fe(II) and Fe(III) ions. (author)

Dynamics of merging: post-merger mixing and relaxation of an Illustris galaxy

Science.gov (United States)

Young, Anthony M.; Williams, Liliya L. R.; Hjorth, Jens

2018-02-01

During the merger of two galaxies, the resulting system undergoes violent relaxation and seeks stable equilibrium. However, the details of this evolution are not fully understood. Using Illustris simulation, we probe two physically related processes, mixing and relaxation. Though the two are driven by the same dynamics—global time-varying potential for the energy, and torques caused by asymmetries for angular momentum—we measure them differently. We define mixing as the redistribution of energy and angular momentum between particles of the two merging galaxies. We assess the degree of mixing as the difference between the shapes of their energy distributions, N(E)s, and their angular momentum distributions, N(L2)s. We find that the difference is decreasing with time, indicating mixing. To measure relaxation, we compare N(E) of the newly merged system to N(E) of a theoretical prediction for relaxed collisionless systems, DARKexp, and witness the system becoming more relaxed, in the sense that N(E) approaches DARKexp N(E). Because the dynamics driving mixing and relaxation are the same, the timescale is similar for both. We measure two sequential timescales: a rapid, 1 Gyr phase after the initial merger, during which the difference in N(E) of the two merging halos decreases by ~ 80%, followed by a slow phase, when the difference decreases by ~ 50% over ~ 8.5 Gyrs. This is a direct measurement of the relaxation timescale. Our work also draws attention to the fact that when a galaxy has reached Jeans equilibrium it may not yet have reached a fully relaxed state given by DARKexp, in that it retains information about its past history. This manifests itself most strongly in stars being centrally concentrated. We argue that it is particularly difficult for stars, and other tightly bound particles, to mix because they have less time to be influenced by the fluctuating potential, even across multiple merger events.

Quasi-Geostrophic Diagnosis of Mixed-Layer Dynamics Embedded in a Mesoscale Turbulent Field

Science.gov (United States)

Chavanne, C. P.; Klein, P.

2016-02-01

A new quasi-geostrophic model has been developed to diagnose the three-dimensional circulation, including the vertical velocity, in the upper ocean from high-resolution observations of sea surface height and buoyancy. The formulation for the adiabatic component departs from the classical surface quasi-geostrophic framework considered before since it takes into account the stratification within the surface mixed-layer that is usually much weaker than that in the ocean interior. To achieve this, the model approximates the ocean with two constant-stratification layers : a finite-thickness surface layer (or the mixed-layer) and an infinitely-deep interior layer. It is shown that the leading-order adiabatic circulation is entirely determined if both the surface streamfunction and buoyancy anomalies are considered. The surface layer further includes a diabatic dynamical contribution. Parameterization of diabatic vertical velocities is based on their restoring impacts of the thermal-wind balance that is perturbed by turbulent vertical mixing of momentum and buoyancy. The model skill in reproducing the three-dimensional circulation in the upper ocean from surface data is checked against the output of a high-resolution primitive-equation numerical simulation. Correlation between simulated and diagnosed vertical velocities are significantly improved in the mixed-layer for the new model compared to the classical surface quasi-geostrophic model, reaching 0.9 near the surface.

Ion trapping within the dust grain plasma sheath

International Nuclear Information System (INIS)

Jovanovic, D.; Shukla, P.K.

2002-01-01

One of the most important and still unresolved problems in the physics of dusty plasmas is the determination of the dust charge. The grains are not directly accessible to measurements and it is necessary to have a reliable theoretical model of the electron and ion dynamics inside the Debye sphere for the interpretation of the relevant experimental data, which include also the effects of the surrounding electron and ion clouds. Recent computer simulations [6] and laboratory experiments [9] indicate that the plasma sheath is dominated by trapped ions, orbiting the grain on closed trajectories at distances smaller than the Debye radius, that cannot be accounted for by the classical theories. We present the first analytical, fully self-consistent, calculations of the electrostatic shielding of a charged dust grain in a collisional plasma. In the regime when the mean free path for the ion-dust collisions is larger than that for the ion-neutral collisions, we solve the kinetic equation for the ions, coupled with Boltzmann distributed electrons and Poisson's equation. The ion velocity distribution function, in the form of a spherically symmetric ion hole, is found to be anisotropic in the presence of charge-exchange collisions. The number of trapped ions and their spatial distribution are determined from the interplay between the collective plasma interaction and the collisional trapping/de-trapping. The stationary state results from the self-tuning of the trapped ion density by the feedback based on the nonlocality of the collisional integral, and on the ion mixing in the radial direction along elongated orbits. Our results confirm the existence of a strong Debye shielding of the dust charge, allowing also the over-population of the trapped ion distribution (ion hump)

European mixed forests

DEFF Research Database (Denmark)

Bravo-Oviedo, Andres; Pretzsch, Hans; Ammer, Christian

2014-01-01

Aim of study: We aim at (i) developing a reference definition of mixed forests in order to harmonize comparative research in mixed forests and (ii) review the research perspectives in mixed forests. Area of study: The definition is developed in Europe but can be tested worldwide. Material...... and Methods: Review of existent definitions of mixed forests based and literature review encompassing dynamics, management and economic valuation of mixed forests. Main results: A mixed forest is defined as a forest unit, excluding linear formations, where at least two tree species coexist at any...... density in mixed forests, (iii) conversion of monocultures to mixed-species forest and (iv) economic valuation of ecosystem services provided by mixed forests. Research highlights: The definition is considered a high-level one which encompasses previous attempts to define mixed forests. Current fields...

Potential of dynamically harmonized Fourier transform ion cyclotron resonance cell for high-throughput metabolomics fingerprinting: control of data quality.

Science.gov (United States)

Habchi, Baninia; Alves, Sandra; Jouan-Rimbaud Bouveresse, Delphine; Appenzeller, Brice; Paris, Alain; Rutledge, Douglas N; Rathahao-Paris, Estelle

2018-01-01

Due to the presence of pollutants in the environment and food, the assessment of human exposure is required. This necessitates high-throughput approaches enabling large-scale analysis and, as a consequence, the use of high-performance analytical instruments to obtain highly informative metabolomic profiles. In this study, direct introduction mass spectrometry (DIMS) was performed using a Fourier transform ion cyclotron resonance (FT-ICR) instrument equipped with a dynamically harmonized cell. Data quality was evaluated based on mass resolving power (RP), mass measurement accuracy, and ion intensity drifts from the repeated injections of quality control sample (QC) along the analytical process. The large DIMS data size entails the use of bioinformatic tools for the automatic selection of common ions found in all QC injections and for robustness assessment and correction of eventual technical drifts. RP values greater than 10 6 and mass measurement accuracy of lower than 1 ppm were obtained using broadband mode resulting in the detection of isotopic fine structure. Hence, a very accurate relative isotopic mass defect (RΔm) value was calculated. This reduces significantly the number of elemental composition (EC) candidates and greatly improves compound annotation. A very satisfactory estimate of repeatability of both peak intensity and mass measurement was demonstrated. Although, a non negligible ion intensity drift was observed for negative ion mode data, a normalization procedure was easily applied to correct this phenomenon. This study illustrates the performance and robustness of the dynamically harmonized FT-ICR cell to perform large-scale high-throughput metabolomic analyses in routine conditions. Graphical abstract Analytical performance of FT-ICR instrument equipped with a dynamically harmonized cell.

Acid leaching of mixed spent Li-ion batteries

Directory of Open Access Journals (Sweden)

A.A. Nayl

2017-05-01

Full Text Available Acid leaching for different types of mixed spent Li-ion mobile batteries is carried out after alkali decomposition using NH4OH followed by H2SO4 + H2O2 leaching. In the alkali decomposition step, the effects of reaction time, NH4OH concentration, liquid/solid mass ratio and reaction temperature on the decomposition process are investigated to remove Al, Cu, Mn, Ni, Co, and Li. After alkaline treatment, the alkali paste is treated to leach the remaining metals using H2SO4 + H2O2. The significant effects of reaction time, acid concentration, H2O2 concentration, liquid/solid mass ratios and reaction temperature on the leaching rate are studied. More than 97% of Al, Mn, Ni, Co, and Li and about 65% Cu are leached in two stages. Kinetic analysis shows that, the data fit with chemical reaction control mechanism and the activation energies for the investigated metals using the Arrhenius equation ranged from 30.1 to 41.4 kJ/mol. Recovered metals are precipitated from the leaching liquor at varying pH values using NaOH solution and Na2CO3. Firstly, Mn is precipitated as MnCO3 at pH = 7.5. Secondly, at pH = 9.0, nickel is precipitated as NiCO3. Thirdly, as the pH of the leaching liquor reaches 11–12, Co(OH2 is precipitated and the remaining Li is readily precipitated as Li2CO3 using a saturated Na2CO3 solution. Based on the experimental data, a flow sheet is developed and tested for the recovery process.

Ion and laser beam induced metastable alloy formation

International Nuclear Information System (INIS)

Westendorp, J.F.M.

1986-01-01

This thesis deals with ion and laser beam induced thin film mixing. It describes the development of an Ultra High Vacuum apparatus for deposition, ion irradiation and in situ analysis of thin film sandwiches. This chamber has been developed in close collaboration with High Voltage Engineering Europa. Thin films can be deposited by an e-gun evaporator. The atom flux is monitored by a quadrupole mass spectrometer. A comparison is made between ion beam and laser mixing of Cu with Au and Cu with W. The comparison provides a better understanding of the relative importance of purely collisional mixing, the role of thermodynamic effects and the contribution of diffusion due to defect generation and migration. (Auth.)

Sensitivity of ion-induced sputtering to the radial distribution of energy transfers: A molecular dynamics study

International Nuclear Information System (INIS)

Mookerjee, S.; Khan, S. A.; Roy, A.; Beuve, M.; Toulemonde, M.

2008-01-01

Using different models for the deposition of energy on the lattice and a classical molecular dynamics approach to the subsequent transport, we evaluate how the details of the energy deposition model influence sputtering yield from a Lennard-Jones target irradiated with a MeV/u ion beam. Two energy deposition models are considered: a uniform, instantaneous deposition into a cylinder of fixed radius around the projectile ion track, used in earlier molecular dynamics and fluid dynamics simulations of sputtering yields; and an energy deposition distributed in time and space based on the formalism developed in the thermal spike model. The dependence of the sputtering yield on the total energy deposited on the target atoms is very sensitive to the energy deposition model. To clarify the origin of this strong dependence, we explore the role of the radial expansion of the electronic system prior to the transfer of its energy to the lattice. The results imply that observables such as the sputtering yield may be used as signatures of the fast electron-lattice energy transfer in the electronic energy-loss regime, and indicate the need for more experimental and theoretical investigations of these processes

Ion beam processing of bio-ceramics

International Nuclear Information System (INIS)

Ektessabi, A.M.

1995-01-01

Thin films of bio-inert (TiO 2+α , Al 2 O 3+α ) and bio-active (compounds of calcium and phosphorus oxides, hydroxy-apatite) were deposited on the most commonly used implant materials such as titanium and stainless steel, using a dual-ion-beam deposition system. Rutherford backscattering spectroscopy was carried out for quantitative measurement of the interfacial atomic mixing and the composition of the elements. The experimental results show that by controlling the ion beam energy and current, thin films with very good mechanical properties are obtained as a result of the ion beam mixing within the film and at the interface of the film and substrate. (orig.)

Ion beam processing of bio-ceramics

Science.gov (United States)

Ektessabi, A. M.

1995-05-01

Thin films of bio-inert (TiO 2+α, Al 2O 3+α) and bio-active (compounds of calcium and phosphorus oxides, hydroxyapatite) were deposited on the most commonly used implant materials such as titanium and stainless steel, using a dual-ion-beam deposition system. Rutherford backscattering spectroscopy was carried out for quantitative measurement of the interfacial atomic mixing and the composition of the elements. The experimental results show that by controlling the ion beam energy and current, thin films with very good mechanical properties are obtained as a result of the ion beam mixing within the film and at the interface of the film and substrate.

Studies of electron cyclotron resonance ion source plasma physics

International Nuclear Information System (INIS)

Tarvainen, O.

2005-01-01

This thesis consists of an introduction to the plasma physics of electron cyclotron resonance ion sources (ECRIS) and a review of the results obtained by the author and co-workers including discussion of related work by others. The thesis begins with a theoretical discussion dealing with plasma physics relevant for the production of highly charged ions in ECR ion source plasmas. This is followed by an overview of different techniques, such as gas mixing and double frequency heating, that can be used to improve the performance of this type of ion source. The experimental part of the work consists of studies related to ECRIS plasma physics. The effect of the gas mixing technique on the production efficiency of different ion beams was studied with both gaseous and solid materials. It was observed that gas mixing improves the confinement of the heavier element while the confinement of the lighter element is reduced. When the effect of gas mixing on MIVOC-plasmas was studied with several mixing gases it was observed that applying this technique can reduce the inevitable carbon contamination by a significant factor. In order to understand the different plasma processes taking place in ECRIS plasmas, a series of plasma potential and emittance measurements was carried out. An instrument, which can be used to measure the plasma potential in a single measurement without disturbing the plasma, was developed for this work. Studying the plasma potential of ECR ion sources is important not only because it helps to understand different plasma processes, but also because the information can be used as an input parameter for beam transport simulations and ion source extraction design. The experiments performed have revealed clear dependencies of the plasma potential on certain source parameters such as the amount of carbon contamination accumulated on the walls of the plasma chamber during a MIVOC-run. It was also observed that gas mixing affects not only the production efficiency

Anomalous ion thermal transport in hot ion plasmas by the ion temperature gradient mode

International Nuclear Information System (INIS)

Kim, J.Y.; Horton, W.; Coppi, B.

1992-01-01

Experiments show that the observed radial profiles of the ion thermal conductivity χ i have the opposite shapes with those obtained from the ion temperature gradient mode (η i mode) turbulence model by the traditional mixing length estimate. In this work, this radial profile problem is reconsidered with an electromagnetic study of the linear stability of the toroidal η i mode and a new rule for choosing the mixing length. It is first shown that the electromagnetic effect gives a significant stabilizing effect on the toroidal η i mode, and that the observed reduction of χ i (r) in the core region can be explained by this electromagnetic effect. Secondly, in view of earlier numerical simulations showing the transfer of fluctuation energy to larger scales that those for the fastest growth rate, as well as fluctuation measurements indicating longer radial correlation lengths, a new mixing length formula is proposed to explain the radial increase of the χ i . It is shown the new formula fits well the observed χ i (r) profiles in two TFTR supershot discharges and also gives the scaling law in the current and the magnetic field which agrees better with experiment than the conventional formula

Computational Fluid Dynamics Analysis of Cold Plasma Plume Mixing with Blood Using Level Set Method Coupled with Heat Transfer

Directory of Open Access Journals (Sweden)

Mehrdad Shahmohammadi Beni

2017-06-01

Full Text Available Cold plasmas were proposed for treatment of leukemia. In the present work, conceptual designs of mixing chambers that increased the contact between the two fluids (plasma and blood through addition of obstacles within rectangular-block-shaped chambers were proposed and the dynamic mixing between the plasma and blood were studied using the level set method coupled with heat transfer. Enhancement of mixing between blood and plasma in the presence of obstacles was demonstrated. Continuous tracking of fluid mixing with determination of temperature distributions was enabled by the present model, which would be a useful tool for future development of cold plasma devices for treatment of blood-related diseases such as leukemia.

Decomposing method for ion exchange resin

International Nuclear Information System (INIS)

Sako, Takeshi; Sato, Shinshi; Akai, Yoshie; Moniwa, Shinobu; Yamada, Kazuo

1998-01-01

The present invention concerns a method of decomposing ion exchange resins generated in a nuclear power plant to carbon dioxide reliably in a short period of time. (1) The ion exchange resins are mixed with water, and then they are kept for a predetermined period of time in the presence of an inert gas at high temperature and high pressure exceeding the critical point of water to decompose the ion exchange resins. (2) The ion exchange resins is mixed with water, an oxidant is added and they are kept for a predetermined time in the presence of an inert gas at a high temperature and a high pressure exceeding a critical point of water of an inert gas at a high temperature to decompose the ion exchange resins. (3) An alkali or acid is added to ion exchange resins and water to control the hydrogen ion concentration in the solution and the ion exchange resins are decomposed in above-mentioned (1) or (2). Sodium hydroxide is used as the alkali and hydrochloric acid is used as the acid. In addition, oxygen, hydrogen peroxide or ozone is used as an oxidant. (I.S.)

Pickup Ion Dynamics in the Outer Heliosheath Associated with the Growth of Kelvin-Helmholtz Instability at the Heliopause

Science.gov (United States)

Tsubouchi, K.

2017-12-01

A discovery of "IBEX ribbon", localized bright emission of energetic neutral atoms, has brought new insights into the plasma environment of its source region beyond the heliosphere. It has been basically established that its geometrical property is associated with the local interstellar magnetic field draped on the heliopause, and pickup ions (PUIs) in the outer heliosheath (OHS) must be its primary source particles. Understanding the PUI dynamics in OHS more in detail is our motivation for this study. We performed two-dimensional hybrid simulations to evaluate the response of PUIs to the structural variation in the heliosheath. We assumed the simulation system such that the background plasma is hot solar wind in the inner heliosheath and cold interstellar plasma in OHS, and the directions of these flows are tangential to the heliopause. Such a situation leads to the growth of Kelvin-Helmholtz instability (KHI), where the plasma mixing and turbulence excitation takes place. We identified that non-stationarity and non-uniformity emerges in the PUI density structure in a specific energy range as KHI process advances. Relevance of these results to the expected observation like IBEX ribbon will be discussed.

Ion distribution dynamics near the Earth's bow shock: first measurements with the 2D ion energy spectrometer CORALL on the INTERBALL/Tail-probe satellite

Directory of Open Access Journals (Sweden)

Yu. I. Yermolaev

1997-05-01

Full Text Available The dynamics of the ion distribution function near the Earth's bow shock is studied on the basis of quasi-3D measurements of ion energy spectra in the range of 30–24200 eV/q with the Russian-Cuban CORALL instrument on the INTERBALL/Tail-probe satellite. The instrument was designed for observations of magnetospheric plasma and measures ions, in an angular range of 36°–144° from the Earth-Sun direction. Ion populations generated by the Earth bow shock are often observed upstream from the bow shock. In the solar-wind stream compressed and heated by the passing of very dense magnetic cloud (CME, two types of these ion populations were measured upstream and before the bow shock crossing on 25 August 1995 at 07:37 UT. Both populations were observed in the energy range above 2 keV. At ~06:20 UT, when the angle between the direction of the interplanetary magnetic field and normal to the bow shock VBn was ≃ 43° the instrument observed a narrow, fast (~800 km/s field-aligned beam moving from the Earth. At ~07:30, when Bn ≃ 28°, the wide ion pitch-angle distribution was observed. A similar suprathermal ion population is observed in the magnetosheath simultaneously with the solar-wind ion population being heated and deflected from the Sun-Earth direction. The similarity of observations during the mentioned time-interval and under usual solar-wind conditions allows us to conclude that types of suprathermal ion populations upstream and downstream from the bow shock do not depend on the solar-wind disturbance generated by magnetic cloud.

Ion-ion interaction and energy transfer of 4+ transuranium ions in cerium tetrafluoride

International Nuclear Information System (INIS)

Liu, G.K.; Beitz, J.V.

1990-01-01

Dynamics of excited 5f electron states of the transuranium ions Cm 4+ and Bk 4+ in CeF 4 are compared. Based on time- and wavelength-resolved laser-induced fluorescence, excitation energy transfer processes have been probed. Depending on concentration and electronic energy level structure of the studied 4+ transuranium ion, the dominant energy transfer mechanisms were identified as cross relaxation, exciton-exciton annihilation, and trapping. Energy transfer rates derived from the fitting of the observed fluorescence decays to theoretical models, based on electric multipolar ion-ion interactions, are contrasted with prior studies of 4f states of 3+ lanthanide and 3d states of transition metal ions. 16 refs., 1 tab

Hg-Xe exciplex formation in mixed Xe/Ar matrices: molecular dynamics and luminescence study.

Science.gov (United States)

Lozada-García, Rolando; Rojas-Lorenzo, Germán; Crépin, Claudine; Ryan, Maryanne; McCaffrey, John G

2015-03-19

Luminescence of Hg((3)P1) atoms trapped in mixed Ar/Xe matrices containing a small amount of Xe is reported. Broad emission bands, strongly red-shifted from absorption are recorded which are assigned to strong complexes formed between the excited mercury Hg* and xenon atoms. Molecular dynamics calculations are performed on simulated Xe/Ar samples doped with Hg to follow the behavior of Hg* in the mixed rare gas matrices leading to exciplex formation. The role of Xe atoms in the first solvation shell (SS1) around Hg was investigated in detail, revealing the formation of two kinds of triatomic exciplexes; namely, Xe-Hg*-Xe and Ar-Hg*-Xe. The first species exists only when two xenon atoms are present in SS1 with specific geometries allowing the formation of a linear or quasi-linear exciplex. In the other geometries, or in the presence of only one Xe in SS1, a linear Ar-Hg*-Xe exciplex is formed. The two kinds of exciplexes have different emission bands, the most red-shifted being that involving two Xe atoms, whose emission is very close to that observed in pure Xe matrices. Simulations give a direct access to the analysis of the experimental absorption, emission, and excitation spectra, together with the dynamics of exciplexes formation.

When is thermodynamics relevant to ion-induced atomic rearrangements in metals

International Nuclear Information System (INIS)

Johnson, W.L.; Cheng, Y.T.; Van Rossum, M.; Nicolet, M.A.

1984-08-01

The problem of ion-induced mixing of metal bilayers is examined in the limit of heavy metals (Z > 20) and heavy energetic ions (E > 100 keV) and in the absence of delayed effects such as radiation enhanced thermal diffusion. Thermochemical effects are shown to play an important role in biasing the random walk process of mixing. A universal mixing equation is derived which predicts the evolution of the concentration profile as a function of ion dose. Finally, a model is presented which allows one to predict what metallurgical phases are formed during the mixing process. Criteria for amorphous phase formation are particularly emphasized

Study of a High-Yield Cellulase System Created by Heavy-Ion Irradiation-Induced Mutagenesis of Aspergillus niger and Mixed Fermentation with Trichoderma reesei

Science.gov (United States)

Chen, Ji-Hong; Li, Wen-Jian; Liu, Jing; Hu, Wei; Xiao, Guo-Qing; Dong, Miao-Yin; Wang, Yu-Chen

2015-01-01

The aim of this study was to evaluate and validate the efficiency of 12C6+ irradiation of Aspergillus niger (A. niger) or mutagenesis via mixed Trichoderma viride (T. viride) culturing as well as a liquid cultivation method for cellulase production via mixed Trichoderma reesei (T. reesei) and A. niger culture fermentation. The first mutagenesis approach was employed to optimize yield from a cellulase-producing strain via heavy-ion mutagenesis and high-throughput screening, and the second was to effectively achieve enzymatic hydrolysis of cellulase from a mixed culture of mutant T. viride and A. niger. We found that 12C6+-ion irradiation induced changes in cellulase biosynthesis in A. niger but had no effect on the time course of the synthesis. It is notable that the exoglucanases (CBH) activities of A. niger strains H11-1 and H differed (6.71 U/mL vs. 6.01 U/mL) and were significantly higher than that of A. niger mutant H3-1. Compared with strain H, the filter paper assay (FPA), endoglucanase (EG) and β-glucosidase (BGL) activities of mutant strain H11-1 were increased by 250.26%, 30.26% and 34.91%, respectively. A mixed culture system was successfully optimized, and the best ratio of T. reesei to A. niger was 5:1 for 96 h with simultaneous inoculation. The BGL activity of the mixed culture increased after 72 h. At 96 h, the FPA and BGL activities of the mixed culture were 689.00 and 797.15 U/mL, respectively, significantly higher than those of monocultures, which were 408.70 and 646.98 U/mL for T. reesei and 447.29 and 658.89 U/mL for A. niger, respectively. The EG activity of the mixed culture was 2342.81 U/mL, a value that was significantly higher than that of monocultures at 2206.57 U/mL for T. reesei and 1727.62 U/mL for A. niger. In summary, cellulose production and hydrolysis yields were significantly enhanced by the proposed combination scheme. PMID:26656155

Study of a High-Yield Cellulase System Created by Heavy-Ion Irradiation-Induced Mutagenesis of Aspergillus niger and Mixed Fermentation with Trichoderma reesei.

Directory of Open Access Journals (Sweden)

Shu-Yang Wang

Full Text Available The aim of this study was to evaluate and validate the efficiency of 12C6+ irradiation of Aspergillus niger (A. niger or mutagenesis via mixed Trichoderma viride (T. viride culturing as well as a liquid cultivation method for cellulase production via mixed Trichoderma reesei (T. reesei and A. niger culture fermentation. The first mutagenesis approach was employed to optimize yield from a cellulase-producing strain via heavy-ion mutagenesis and high-throughput screening, and the second was to effectively achieve enzymatic hydrolysis of cellulase from a mixed culture of mutant T. viride and A. niger. We found that 12C6+-ion irradiation induced changes in cellulase biosynthesis in A. niger but had no effect on the time course of the synthesis. It is notable that the exoglucanases (CBH activities of A. niger strains H11-1 and H differed (6.71 U/mL vs. 6.01 U/mL and were significantly higher than that of A. niger mutant H3-1. Compared with strain H, the filter paper assay (FPA, endoglucanase (EG and β-glucosidase (BGL activities of mutant strain H11-1 were increased by 250.26%, 30.26% and 34.91%, respectively. A mixed culture system was successfully optimized, and the best ratio of T. reesei to A. niger was 5:1 for 96 h with simultaneous inoculation. The BGL activity of the mixed culture increased after 72 h. At 96 h, the FPA and BGL activities of the mixed culture were 689.00 and 797.15 U/mL, respectively, significantly higher than those of monocultures, which were 408.70 and 646.98 U/mL for T. reesei and 447.29 and 658.89 U/mL for A. niger, respectively. The EG activity of the mixed culture was 2342.81 U/mL, a value that was significantly higher than that of monocultures at 2206.57 U/mL for T. reesei and 1727.62 U/mL for A. niger. In summary, cellulose production and hydrolysis yields were significantly enhanced by the proposed combination scheme.

Mixed-matrix membrane adsorbers for protein separation

NARCIS (Netherlands)

Avramescu, M.E.; Borneman, Z.; Wessling, M.

2003-01-01

The separation of two similarly sized proteins, bovine serum albumin (BSA) and bovine hemoglobin (Hb) was carried out using a new type of ion-exchange mixed-matrix adsorber membranes. The adsorber membranes were prepared by incorporation of various types of Lewatit ion-exchange resins into an

Effects of ion-neutral chemical reactions on dynamics of lightning-induced electric field

International Nuclear Information System (INIS)

Hiraki, Yasutaka

2009-01-01

Secondary lightning phenomena in the upper atmosphere called sprites attract interest from the viewpoint of atomic-molecular and plasma physics. Lightning-induced electric field accelerates the ionospheric electrons up to tens of electron-volts, inducing electrical breakdown as well as strong optical emissions, through electron impact ionization of molecules. A large-scale structure of sprites is constructed by collective dynamics of filamentary streamer discharges in a rarified gas, which in turn is controlled by the distribution of the background electric field. In this paper, we firstly reanalyze the relationship between quasi-static field formation and local ion chemistry with first-order perturbation techniques. Secondly, we investigate with a full ion chemical model the effects of electron attachment to oxygen molecules on its density in moderate cases of undervoltage lightning electric fields rather than the cases of intense ionization in streamers. We estimate the minimum values that are provided by the chemical balance with electron detachment from negative ions. We also investigate the recovery timescale of the electron density and find that the scale (≥1 s) is occasionally much larger than the interval of each lightning stroke (∼10 ms). We suggest that the subsequent sprite event as well as the field formation could be well affected by the ghost of the primary event. We discuss further the negative ion chemistry triggered by electron attachment in the nighttime mesosphere.

Dynamic Behavior of Wind Turbine by a Mixed Flexible-Rigid Multi-Body Model

Science.gov (United States)

Wang, Jianhong; Qin, Datong; Ding, Yi

A mixed flexible-rigid multi-body model is presented to study the dynamic behavior of a horizontal axis wind turbine. The special attention is given to flexible body: flexible rotor is modeled by a newly developed blade finite element, support bearing elasticities, variations in the number of teeth in contact as well as contact tooth's elasticities are mainly flexible components in the power train. The couple conditions between different subsystems are established by constraint equations. The wind turbine model is generated by coupling models of rotor, power train and generator with constraint equations together. Based on this model, an eigenproblem analysis is carried out to show the mode shape of rotor and power train at a few natural frequencies. The dynamic responses and contact forces among gears under constant wind speed and fixed pitch angle are analyzed.

The dynamics of a neoclassical tearing mode (NTM) influenced by energetic ions on EAST

International Nuclear Information System (INIS)

Li, Erzhong; Xu, L; Shi, T; Zhao, H; Liu, Y; Ti, A; Zhang, J; Huang, J; Shen, B; Lin, S; Qian, J; Gong, X; Hu, L; Igochine, V; White, R; Zhu, Y

2016-01-01

In the 2014 year’s campaign of experimental advanced superconducting tokamak (EAST), a series of Magnetohydrodynamics (MHD) instabilities were observed as the launching of Neutral Beam Injection (NBI), the most interesting one of which is the neoclassical tearing mode (NTM). Evidence clearly shows that a kink mode present after a strong sawtooth-like (ST-like) crash leaves a perturbation near the location of the magnetic island, providing the initial seed. The interaction of energetic ions makes the magnetic island oscillate both in island width and in rotation frequency. Analysis indicates that the bulk plasma still dominates the dynamics of NTM, and the orbit excursion of energetic ions induces a polarization current and modifies the width and rotation frequency of the neoclassical magnetic island. (paper)

Mechanisms of defect production and atomic mixing in high energy displacement cascades: A molecular dynamics study

International Nuclear Information System (INIS)

Diaz de la Rubia, T.; Guinan, M.W.

1991-01-01

We have performed molecular dynamics computer simulation studies of displacement cascades in Cu at low temperature. For 25 keV recoils we observe the splitting of a cascade into subcascades and show that cascades in Cu may lead to the formation of vacancy and interstitial dislocation loops. We discuss a new mechanism of defect production based on the observation of interstitial prismatic dislocation loop punching from cascades at 10 K. We also show that below the subcascade threshold, atomic mixing in the cascade is recoil-energy dependent and obtain a mixing efficiency that scales as the square root of the primary recoil energy. 44 refs., 12 figs