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Sample records for rc ion dynamics

  1. Model tests on dynamic performance of RC shear walls

    International Nuclear Information System (INIS)

    Nagashima, Toshio; Shibata, Akenori; Inoue, Norio; Muroi, Kazuo.

    1991-01-01

    For the inelastic dynamic response analysis of a reactor building subjected to earthquakes, it is essentially important to properly evaluate its restoring force characteristics under dynamic loading condition and its damping performance. Reinforced concrete shear walls are the main structural members of a reactor building, and dominate its seismic behavior. In order to obtain the basic information on the dynamic restoring force characteristics and damping performance of shear walls, the dynamic test using a large shaking table, static displacement control test and the pseudo-dynamic test on the models of a shear wall were conducted. In the dynamic test, four specimens were tested on a large shaking table. In the static test, four specimens were tested, and in the pseudo-dynamic test, three specimens were tested. These tests are outlined. The results of these tests were compared, placing emphasis on the restoring force characteristics and damping performance of the RC wall models. The strength was higher in the dynamic test models than in the static test models mainly due to the effect of loading rate. (K.I.)

  2. Dynamic behavior and functional integrity tests on RC shear walls

    International Nuclear Information System (INIS)

    Akino, Kinji; Nasuda, Toshiaki; Shibata, Akenori.

    1991-01-01

    A project consisting of seven subprojects has been conducted to study the dynamic behavior and functional integrity of reinforced concrete (RC) shear walls in reactor buildings. The objective of this project is to obtain the data to improve and prepare the seismic analysis code regarding the nonlinear structural behavior and integrity of reactor buildings during and after earthquakes. The project started in April, 1986, and will end in March, 1994. Seven subprojects are strain rate test, damping characteristic test, ultimate state response test and the verification test for the test of restoring force characteristics regarding dynamic restoring force characteristics and damping performance; the restoring force characteristic test on the shear walls with openings; and pull-out strength test and the test on air leakage through concrete cracks regarding the functional integrity. The objectives of respective subprojects, the test models and the interim results are reported. Three subprojects have been completed by March, 1990. The results of these projects will be used for the overall evaluation. The strain rate test showed that the ultimate strength of shear walls increased with strain rate. A formula for estimating air flow through the cracks in walls was given by the leakage test. (K.I.)

  3. Tomographic reconstruction of storm time RC ion distribution from ENA images on board multiple spacecraft

    Science.gov (United States)

    Ma, Shu-Ying; Yan, Wei-Nan; Xu, Liang

    2015-11-01

    A quantitative retrieval of 3-D distribution of energetic ions as energetic neutral atoms (ENA) sources is a challenging task. In this paper the voxel computerized tomography (CT) method is initially applied to reconstruct the 3-D distribution of energetic ions in the magnetospheric ring current (RC) region from ENA emission images on board multiple spacecraft. To weaken the influence of low-altitude emission (LAE) on the reconstruction, the LAE-associated ENA intensities are corrected by invoking the thick-target approximation. To overcome the divergence in iteration due to discordant instrument biases, a differential ENA voxel CT method is developed. The method is proved reliable and advantageous by numerical simulation for the case of constant bias independent of viewing angle. Then this method is implemented with ENA data measured by the Two Wide-angle Imaging Neutral-atom Spectrometers mission which performs stereoscopic ENA imaging. The 3-D spatial distributions and energy spectra of RC ion flux intensity are reconstructed for energies of 4-50 keV during the main phase of a major magnetic storm. The retrieved ion flux distributions seem to correspond to an asymmetric partial RC, located mainly around midnight favoring the postmidnight with L = 3.5-7.0 in the equatorial plane. The RC ion distributions with magnetic local time depend on energy, with major equatorial flux peak for lower energy located east of that for higher energy. In comparison with the ion energy spectra measured by Time History of Events and Macroscale Interactions during Substorms-D satellite flying in the RC region, the retrieved spectrum from remotely sensed ENA images are well matched with the in situ measurements.

  4. Retrieval of ion distributions in RC from TWINS ENA images by CT technique

    Science.gov (United States)

    Ma, S.; Yan, W.; Xu, L.; Goldstein, J.; McComas, D. J.

    2010-12-01

    The Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS) mission is the first constellation to employ imagers on two separate spacecraft to measure energetic neutral atoms (ENA) produced by charge exchange between ring current energetic ions and cold exospheric neutral atoms. By applying the 3-D volumetric pixel (voxel) computed tomography (CT) inversion method to TWINS images, parent ion populations in the ring current (RC) and auroral regions are retrieved from their ENA signals. This methodology is implemented for data obtained during the main phase of a moderate geomagnetic storm on 11 October 2008. For this storm the two TWINS satellites were located in nearly the same meridian plane at vantage points widely separated in magnetic local time, and both more than 5 RE geocentric distance from the Earth. In the retrieval process, the energetic ion fluxes to be retrieved are assumed being isotropic with respect to pitch angle. The ENA data used in this study are differential fluxes averaged over 12 sweeps (corresponding to an interval of 16 min.) at different energy levels ranging throughout the full 1--100 keV energy range of TWINS. The ENA signals have two main components: (1) a low-latitude/ high-altitude signal from trapped RC ions and (2) a low-altitude signal from precipitating ions in the auroral/subauroral ionosphere. In the retrieved ion distributions, the main part of the RC component is located around midnight toward dawn sector with L from 3 to 7 or farther, while the subauroral low-altitude component is mainly at pre-midnight. It seems that the dominant energy of the RC ions for this storm is at the lowest energy level of 1-2 keV, with another important energy band centered about 44 keV. The low-altitude component is consistent with in situ observations by DMSP/SSJ4. The result of this study demonstrates that with satellite constellations such as TWINS, using all-sky ENA imagers deployed at multiple vantage points, 3-D distribution of RC ion

  5. Energy transfer dynamics in an RC-LH1-PufX tubular photosynthetic membrane

    Energy Technology Data Exchange (ETDEWEB)

    Hsin, J; Sener, M; Schulten, K [Department of Physics and Beckman Institute, University of Illinois at Urbana-Champaign, Urbana (United States); Struempfer, J [Center for Biophysics and Computational Biology and Beckman Institute, University of Illinois at Urbana-Champaign, Urbana (United States); Qian, P; Hunter, C N, E-mail: kschulte@ks.uiuc.ed [Department of Molecular Biology and Biotechnology, University of Sheffield, Sheffield S10 2TN (United Kingdom)

    2010-08-15

    Light absorption and the subsequent transfer of excitation energy are the first two steps in the photosynthetic process, carried out by protein-bound pigments, mainly bacteriochlorophylls (BChls), in photosynthetic bacteria. BChls are anchored in light-harvesting (LH) complexes, such as light-harvesting complex I (LH1), which directly associates with the reaction center (RC), forming the RC-LH1 core complex. In Rhodobacter sphaeroides, RC-LH1 core complexes contain an additional protein, PufX, and assemble into dimeric RC-LH1-PufX core complexes. In the absence of LH complex II (LH2), the former complexes can aggregate into a helically ordered tubular photosynthetic membrane. We have examined the excitation transfer dynamics in a single RC-LH1-PufX core complex dimer using the hierarchical equations of motion for dissipative quantum dynamics that accurately, yet in a computationally costly manner, treat the coupling between BChls and their protein environment. A widely employed description, the generalized Foerster (GF) theory, was also used to calculate the transfer rates of the same excitonic system in order to verify the accuracy of this computationally cheap method. Additionally, in light of the structural uncertainties in the Rba. sphaeroides RC-LH1-PufX core complex, geometrical alterations were introduced into the BChl organization. It is shown that the energy transfer dynamics are not affected by the considered changes in the BChl organization and that the GF theory provides accurate transfer rates. An all-atom model for a tubular photosynthetic membrane is then constructed on the basis of electron microscopy data, and the overall energy transfer properties of this membrane are computed.

  6. Energy transfer dynamics in an RC-LH1-PufX tubular photosynthetic membrane

    International Nuclear Information System (INIS)

    Hsin, J; Sener, M; Schulten, K; Struempfer, J; Qian, P; Hunter, C N

    2010-01-01

    Light absorption and the subsequent transfer of excitation energy are the first two steps in the photosynthetic process, carried out by protein-bound pigments, mainly bacteriochlorophylls (BChls), in photosynthetic bacteria. BChls are anchored in light-harvesting (LH) complexes, such as light-harvesting complex I (LH1), which directly associates with the reaction center (RC), forming the RC-LH1 core complex. In Rhodobacter sphaeroides, RC-LH1 core complexes contain an additional protein, PufX, and assemble into dimeric RC-LH1-PufX core complexes. In the absence of LH complex II (LH2), the former complexes can aggregate into a helically ordered tubular photosynthetic membrane. We have examined the excitation transfer dynamics in a single RC-LH1-PufX core complex dimer using the hierarchical equations of motion for dissipative quantum dynamics that accurately, yet in a computationally costly manner, treat the coupling between BChls and their protein environment. A widely employed description, the generalized Foerster (GF) theory, was also used to calculate the transfer rates of the same excitonic system in order to verify the accuracy of this computationally cheap method. Additionally, in light of the structural uncertainties in the Rba. sphaeroides RC-LH1-PufX core complex, geometrical alterations were introduced into the BChl organization. It is shown that the energy transfer dynamics are not affected by the considered changes in the BChl organization and that the GF theory provides accurate transfer rates. An all-atom model for a tubular photosynthetic membrane is then constructed on the basis of electron microscopy data, and the overall energy transfer properties of this membrane are computed.

  7. Ion distributions in RC at different energy levels retrieved from TWINS ENA images by voxel CT tech

    Science.gov (United States)

    Ma, S. Y.; McComas, David; Xu, Liang; Goldstein, Jerry; Yan, Wei-Nan

    2012-07-01

    Distributions of energetic ions in the RC regions in different energy levels are retrieved by using 3-D voxel CT inversion method from ENA measurements onboard TWINS constellation during the main phase of a moderate geomagnetic storm. It is assumed that the ion flux distribution in the RC is anisotropic in regard to pitch angle which complies with the adiabatic invariance of the magnetic moment as ion moving in the dipole magnetic mirror field. A semi-empirical model of the RC ion distribution in the magnetic equator is quoted to form the ion flux distribution shape at off-equatorial latitudes by mapping. For the concerned time interval, the two satellites of the TWINS flying in double Molnia orbits were located in nearly the same meridian plane at vantage points widely separated in magnetic local time, and both more than 5 RE geocentric distance from the Earth. The ENA data used in this study are differential fluxes averaged over 12 sweeps (corresponding to an interval of 16 min.) at different energy levels ranging from about 1 to 100 keV. The retrieved ion distributions show that in total the main part of the RC is located in the region with L value larger than 4, tending to increase at larger L. It reveals that there are two distinct dominant energy bands at which the ion fluxes are significantly larger magnitude than at other energy levels, one is at lower level around 2 keV and the other at higher level of 30-100 keV. Furthermore, it is very interesting that the peak fluxes of the RC ions at the two energy bands occurred in different magnetic local time, low energy ions appear preferentially in after midnight, while the higher energy ions mainly distributed around midnight and pre-midnight. This new profile is worthy of further study and needs to be demonstrated by more cases.

  8. Evaluating the Dynamic Characteristics of Retrofitted RC Beams

    International Nuclear Information System (INIS)

    Ghods, Amir S.; Esfahani, Mohamad R.; Moghaddasie, Behrang

    2008-01-01

    The aim of this experimental study was to investigate the relationship between the damage and changes in dynamic characteristics of reinforced concrete members strengthened with Carbon Fiber Reinforced Polymer (CFRP). Modal analysis is a popular non-destructive method for evaluating health of structural systems. A total of 8 reinforced concrete beams with similar dimensions were made using concrete with two different compressive strengths and reinforcement ratios. Monotonic loading was applied with four-point-bending setup in order to generate different damage levels in the specimens while dynamic testing was conducted to monitor the changes in dynamic characteristics of the specimens. In order to investigate the effect of CFRP on static and dynamic properties of specimens, some of the beams were loaded to half of their ultimate load carrying capacity and then were retrofitted using composite laminates with different configuration. Retrofitted specimens demonstrated elevated load carrying capacity, higher flexural stiffness and lower displacement ductility. By increasing the damage level in specimens, frequencies of the beams were decreased and after strengthening these values were improved significantly. The intensity of the damage level in each specimen affects the shape of its mode as well. Fixed points and curvatures of mode shapes of beams tend to move toward the location of the damage in each case

  9. Dynamics model for real time diagnostics of Triga RC-1 system

    International Nuclear Information System (INIS)

    Gadomski, A.M.; Nanni, V.; Meo, G.

    1988-01-01

    This paper presents dynamics model of TRIGA RC-1 reactor system. The model is dedicated to the real-time early fault detection during a reactor operation in one week exploitation cycle. The algorithms are specially suited for real-time, long time and also accelerated simulations with assumed diagnostic oriented accuracy. The approximations, modular structure, numerical methods and validation are discussed. The elaborated model will be build in the TRIGA Supervisor System and TRIGA Diagnostic Simulator

  10. Dynamics model for real time diagnostics of TRIGA RC-1 system

    International Nuclear Information System (INIS)

    Gadomski, A.M.; Nanni, V.; Meo, G.B.

    1986-01-01

    This paper presents dynamics model of TRIGA RC-1 reactor system. The model is dedicated to the real-time early fault detection during a reactor operation in one week exploitation cycle. The algorithms are specially suited for real-time, long time and also accelerated simulations with assumed diagnostic oriented accuracy. The approximations, modular structure, numerical methods and validation are discussed. The elaborated model will be build in the TRIGA Supervisory System and TRIGA Diagnostic Simulator. (author)

  11. Analysis of an Irregular RC Multi-storeyed Building Subjected to Dynamic Loading

    Science.gov (United States)

    AkashRaut; Pachpor, Prabodh; Dautkhani, Sanket

    2018-03-01

    Many buildings in the present scenario have irregular configurations both in plan and elevation. This in future may subject to devastating earthquakes. So it is necessary to analyze the structure. The present paper is made to study three type of irregularity wiz vertical, mass and plan irregularity as per clause 7.1 of IS 1893 (part1)2002 code. The paper discusses the analysis of RC (Reinforced Concrete) Buildings with vertical irregularity. The study as a whole makes an effort to evaluate the effect of vertical irregularity on RC buildings for which comparison of three parameters namely shear force, bending moment and deflection are taken into account.

  12. Ion-Molecule Reaction Dynamics.

    Science.gov (United States)

    Meyer, Jennifer; Wester, Roland

    2017-05-05

    We review the recent advances in the investigation of the dynamics of ion-molecule reactions. During the past decade, the combination of single-collision experiments in crossed ion and neutral beams with the velocity map ion imaging detection technique has enabled a wealth of studies on ion-molecule reactions. These methods, in combination with chemical dynamics simulations, have uncovered new and unexpected reaction mechanisms, such as the roundabout mechanism and the subtle influence of the leaving group in anion-molecule nucleophilic substitution reactions. For this important class of reactions, as well as for many fundamental cation-molecule reactions, the information obtained with crossed-beam imaging is discussed. The first steps toward understanding micro-solvation of ion-molecule reaction dynamics are presented. We conclude with the presentation of several interesting directions for future research.

  13. NASA LaRC Workshop on Guidance, Navigation, Controls, and Dynamics for Atmospheric Flight, 1993

    Science.gov (United States)

    Buttrill, Carey S. (Editor)

    1993-01-01

    This publication is a collection of materials presented at a NASA workshop on guidance, navigation, controls, and dynamics (GNC&D) for atmospheric flight. The workshop was held at the NASA Langley Research Center on March 18-19, 1993. The workshop presentations describe the status of current research in the GNC&D area at Langley over a broad spectrum of research branches. The workshop was organized in eight sessions: overviews, general, controls, military aircraft, dynamics, guidance, systems, and a panel discussion. A highlight of the workshop was the panel discussion which addressed the following issue: 'Direction of guidance, navigation, and controls research to ensure U.S. competitiveness and leadership in aerospace technologies.'

  14. Matrix isolation spectroscopic studies of the radical ions of 2,5-diphenyloxazole (Preprint No. RC-15)

    International Nuclear Information System (INIS)

    Wani, A.M.

    1988-02-01

    The radical ions of 2,5-diphenyloxazole (PPO) produced upon γ-irradiation were studied at 77 K in organic glasses by optical absorption spectroscopy. The dependence of absorption spectra on the nature of the matrix, electron and hole scavengers is interpretted and the absorption bands are assigned to the anionic and cationic radical species of PPO. (author). 6 refs

  15. On RC-spaces

    OpenAIRE

    Bielas, Wojciech; Plewik, Szymon

    2018-01-01

    Following Frink's characterization of completely regular spaces, we say that a regular T_1-space is an RC-space whenever the family of all regular open sets constitutes a regular normal base. Normal spaces are RC-spaces and there exist completely regular spaces which are not RC-spaces. So the question arises, which of the known examples of completely regular and not normal spaces are RC-spaces. We show that the Niemytzki plane and the Sorgenfrey plane are RC-spaces.

  16. 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,

  17. 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

  18. 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.

  19. Engineering of a calcium-ion binding site into the RC-LH1-PufX complex of Rhodobacter sphaeroides to enable ion-dependent spectral red-shifting.

    Science.gov (United States)

    Swainsbury, David J K; Martin, Elizabeth C; Vasilev, Cvetelin; Parkes-Loach, Pamela S; Loach, Paul A; Neil Hunter, C

    2017-11-01

    The reaction centre-light harvesting 1 (RC-LH1) complex of Thermochromatium (Tch.) tepidum has a unique calcium-ion binding site that enhances thermal stability and red-shifts the absorption of LH1 from 880nm to 915nm in the presence of calcium-ions. The LH1 antenna of mesophilic species of phototrophic bacteria such as Rhodobacter (Rba.) sphaeroides does not possess such properties. We have engineered calcium-ion binding into the LH1 antenna of Rba. sphaeroides by progressively modifying the native LH1 polypeptides with sequences from Tch. tepidum. We show that acquisition of the C-terminal domains from LH1 α and β of Tch. tepidum is sufficient to activate calcium-ion binding and the extent of red-shifting increases with the proportion of Tch. tepidum sequence incorporated. However, full exchange of the LH1 polypeptides with those of Tch. tepidum results in misassembled core complexes. Isolated α and β polypeptides from our most successful mutant were reconstituted in vitro with BChl a to form an LH1-type complex, which was stabilised 3-fold by calcium-ions. Additionally, carotenoid specificity was changed from spheroidene found in Rba. sphaeroides to spirilloxanthin found in Tch. tepidum, with the latter enhancing in vitro formation of LH1. These data show that the C-terminal LH1 α/β domains of Tch. tepidum behave autonomously, and are able to transmit calcium-ion induced conformational changes to BChls bound to the rest of a foreign antenna complex. Thus, elements of foreign antenna complexes, such as calcium-ion binding and blue/red switching of absorption, can be ported into Rhodobacter sphaeroides using careful design processes. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

  20. Effects of Calcium Ions on the Thermostability and Spectroscopic Properties of the LH1-RC Complex from a New Thermophilic Purple Bacterium Allochromatium tepidum.

    Science.gov (United States)

    Kimura, Yukihiro; Lyu, Shuwen; Okoshi, Akira; Okazaki, Koudai; Nakamura, Natsuki; Ohashi, Akira; Ohno, Takashi; Kobayashi, Manami; Imanishi, Michie; Takaichi, Shinichi; Madigan, Michael T; Wang-Otomo, Zheng-Yu

    2017-05-18

    The light harvesting-reaction center (LH1-RC) complex from a new thermophilic purple sulfur bacterium Allochromatium (Alc.) tepidum was isolated and characterized by spectroscopic and thermodynamic analyses. The purified Alc. tepidum LH1-RC complex showed a high thermostability comparable to that of another thermophilic purple sulfur bacterium Thermochromatium tepidum, and spectroscopic characteristics similar to those of a mesophilic bacterium Alc. vinosum. Approximately 4-5 Ca 2+ per LH1-RC were detected by inductively coupled plasma atomic emission spectroscopy and isothermal titration calorimetry. Upon removal of Ca 2+ , the denaturing temperature of the Alc. tepidum LH1-RC complex dropped accompanied by a blue-shift of the LH1 Q y absorption band. The effect of Ca 2+ was also observed in the resonance Raman shift of the C3-acetyl νC═O band of bacteriochlorophyll-a, indicating changes in the hydrogen-bonding interactions between the pigment and LH1 polypeptides. Thermodynamic parameters for the Ca 2+ -binding to the Alc. tepidum LH1-RC complex indicated that this reaction is predominantly driven by the largely favorable electrostatic interactions that counteract the unfavorable negative entropy change. Our data support a hypothesis that Alc. tepidum may be a transitional organism between mesophilic and thermophilic purple bacteria and that Ca 2+ is one of the major keys to the thermostability of LH1-RC complexes in purple bacteria.

  1. 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

  2. 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

  3. Numerical simulation for dynamic response of interactive system between soil and RC duct-type structures in nuclear power plants

    International Nuclear Information System (INIS)

    Minh, Nguyen Nguyen; Aoyagi, Yukio; Kanazu, Tsutomu; Ohtomo, Keizo; Matsumoto, Yasuaki

    2000-01-01

    Dynamic numerical simulation of a coupled soil-structure system by non-linear finite element method is presented. The target structure is the underground duct-type structure for emergency services in nuclear power plants. By appropriately modeling, including refinements in dynamic soil model and introduction of interface element, etc., the simulated results are in a very good agreement with the experimental results in terms of dynamic amplitudes and damaging process. A simple mesh generation program specific for the system with optimization concern is made. Some issues on computational aspects are then addressed. (author)

  4. 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

  5. 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

  6. Structure Prediction, Molecular Dynamics Simulation and Docking Studies of D-Specific Dehalogenase from Rhizobium sp. RC1

    Directory of Open Access Journals (Sweden)

    Ismaila Yada Sudi

    2012-11-01

    Full Text Available Currently, there is no three-dimensional structure of D-specific dehalogenase (DehD in the protein database. We modeled DehD using ab initio technique, performed molecular dynamics (MD simulation and docking of D-2-chloropropionate (D-2CP, D-2-bromopropionate (D-2BP, monochloroacetate (MCA, monobromoacetate (MBA, 2,2-dichloropropionate (2,2-DCP, d,l-2,3-dichloropropionate (d,l-2,3-DCP, and 3-chloropropionate (3-CP into the DehD active site. The sequences of DehD and D-2-haloacid dehalogenase (HadD from Pseudomonas putida AJ1 have 15% sequence similarity. The model had 80% of the amino acid residues in the most favored region when compared to the crystal structure of DehI from Pseudomonas putida PP3. Docking analysis revealed that Arg107, Arg134 and Tyr135 interacted with D-2CP, and Glu20 activated the water molecule for hydrolytic dehalogenation. Single residue substitutions at 25–30 °C showed that polar residues of DehD were stable when substituted with nonpolar residues and showed a decrease in activity within the same temperature range. The molecular dynamics simulation of DehD and its variants showed that in R134A variant, Arg107 interacted with D-2CP, while in Y135A, Gln221 and Arg231 interacted with D-2CP. It is our emphatic belief that the new model will be useful for the rational design of DehDs with enhanced potentials.

  7. 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

  8. 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

  9. 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.

  10. Dynamics in heavy ion fusion and fission

    International Nuclear Information System (INIS)

    Bjoernholm, S.

    1972-01-01

    Dynamical aspects of heavy ion fussion and fission, mainly the aspect of damping which is meant as the dissipation of kinetic energy and the aspect of the effective mass of the fission motion, are discussed. Two categories of evidence of damping effects are given. One relates to the damping of the fission motion for the ground state shape and for the isomeric more elongated shape. The other relates to the damping of the fission motion from the last barrier to the scission point. The dependence of the effective mass associated with the fission motion on the deormation of nucleus is shown. As the elongation of the nucleus increases the effective mass of the fission motion varies strongly from being about forty times greater than the reduced mass in the beta-vibrational state of the ground state shape to being equal to the reduced mass in the moment of scission. Damping effects are expected to be propartional to the difference between the effective mass and the reduced mass. It is concluded that the damping in fussion reactions is relatively weak for lighter products and quite strong for superheavy products like 236 U or 252 Cf. (S.B.)

  11. 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.

  12. 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

  13. 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

  14. 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.

  15. Effect of EMIC Wave Normal Angle Distribution on Relativistic Electron Scattering Based on the Newly Developed Self-consistent RC/EMIC Waves Model by Khazanov et al. [2006

    Science.gov (United States)

    Khazanov, G. V.; Gallagher, D. L.; Gamayunov, K.

    2007-01-01

    It is well known that the effects of EMIC waves on RC ion and RB electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wave-normal angle, wave energy, and the form of wave spectral energy density. Therefore, realistic characteristics of EMIC waves should be properly determined by modeling the RC-EMIC waves evolution self-consistently. Such a selfconsistent model progressively has been developing by Khaznnov et al. [2002-2006]. It solves a system of two coupled kinetic equations: one equation describes the RC ion dynamics and another equation describes the energy density evolution of EMIC waves. Using this model, we present the effectiveness of relativistic electron scattering and compare our results with previous work in this area of research.

  16. 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)

  17. 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.

  18. 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.

  19. 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)

  20. 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

  1. Numerical simulations of blobs with ion dynamics

    DEFF Research Database (Denmark)

    Nielsen, Anders Henry; Rasmussen, Jens Juul; Madsen, Jens

    2017-01-01

    The transport of particles and energy into the scrape-off layer (SOL) region at the outboard midplane of medium-sized tokamaks, operating in low confinement mode, is investigated by applying the first-principle HESEL (hot edge-sol-electrostatic) model. HESEL is a four-field drift-fluid model...... of a 'shoulder' in the SOL density profile can be obtained by increasing the collisionality or connection length, thus decreasing the efficiency of the SOL's ability to remove plasma. As the ion pressure has a larger perpendicular but smaller parallel dissipation rate compared to the electron pressure, ion...

  2. 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

  3. Analysis and optimization of RC delay in vertical nanoplate FET

    Science.gov (United States)

    Woo, Changbeom; Ko, Kyul; Kim, Jongsu; Kim, Minsoo; Kang, Myounggon; Shin, Hyungcheol

    2017-10-01

    In this paper, we have analyzed short channel effects (SCEs) and RC delay with Vertical nanoplate FET (VNFET) using 3-D Technology computer-aided design (TCAD) simulation. The device is based on International Technology Road-map for Semiconductor (ITRS) 2013 recommendations, and it has initially gate length (LG) of 12.2 nm, channel thickness (Tch) of 4 nm, and spacer length (LSD) of 6 nm. To obtain improved performance by reducing RC delay, each dimension is adjusted (LG = 12.2 nm, Tch = 6 nm, LSD = 11.9 nm). It has each characteristic in this dimension (Ion/Ioff = 1.64 × 105, Subthreshold swing (S.S.) = 73 mV/dec, Drain-induced barrier lowering (DIBL) = 60 mV/V, and RC delay = 0.214 ps). Furthermore, with long shallow trench isolation (STI) length and thick insulator thickness (Ti), we can reduce RC delay from 0.214 ps to 0.163 ps. It is about a 23.8% reduction. Without decreasing drain current, there is a reduction of RC delay as reducing outer fringing capacitance (Cof). Finally, when source/drain spacer length is set to be different, we have verified RC delay to be optimum.

  4. 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.

  5. 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

  6. Dynamical processes in heavy ion reactions

    International Nuclear Information System (INIS)

    Blann, M.; Remington, B.A.

    1988-01-01

    In this report I review the physical assumptions of the Boltzmann Master Equation (BME). Comparisons of the model with experimental neutron spectra gated on evaporation residues for a range of incident projectile energies and masses are presented; next, I compare n spectra gated on projectile-like fragments, followed by comparisons with ungated, inclusive proton spectra. I will then consider secondary effects from the nucleon-nucleon processes involved in the heavy ion relaxation processes, specifically the high energy γ-rays which have been observed at energies up to 140 MeV in collisions of heavy ions of 20/endash/84 MeV/μ. Another secondary effect, subthreshold pion production, was covered in the XVII School and will not be repeated. 39 refs., 16 figs

  7. Energetics and Dynamics of Decaying Cluster Ions

    Czech Academy of Sciences Publication Activity Database

    Gluch, K.; Fedor, J.; Matt-Leubner, S.; Parajuli, R.; Mair, C.; Stamatovic, A.; Echt, O.; Lifshitz, C.; Harvey, J.; Hagelberg, F.; Herman, Zdeněk; Probst, M.; Scheier, P.; Märk, T. D.

    2003-01-01

    Roč. 24, 1/3 (2003), s. 131-136 ISSN 1434-6060 R&D Projects: GA ČR GA203/00/0632 Grant - others:European Commission(XE) Euroatom Institutional research plan: CEZ:AV0Z4040901 Keywords : surface-induced reactions * kinetics-energy release * polyatomic ions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.612, year: 2003

  8. 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

  9. 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)

  10. 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

  11. 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

  12. 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

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. Altitmeter for RC aircraft models

    OpenAIRE

    Švec, Jan

    2012-01-01

    Předmětem mé bakalářské práce je návrh výškoměru, který využívá pro záznam letové polohy modelu RC letadla vyhodnocování aktuálního atmosferického tlaku. Údaje jsou po dobu letu ukládány do paměti, odkud je možné je po skončení záznamu přes rozhraní USB uložit v PC. Software na PC zajišťuje komunikaci se zařízením a přepočet zaznamenaného tlaku na nadmořskou výšku RC modelu. The aim of my bachelor thesis is to design a altimeter, who uses to record the attitude of the model "RC plane" eval...

  18. 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 Cn (n = 4--6).

  19. 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)

  20. 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

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. 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

  6. 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)

  7. 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(+.

  8. 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

  9. 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.

  10. 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.)

  11. 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

  12. 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.)

  13. 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.

  14. 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.

  15. 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

  16. 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

  17. Electronically tunable RC sinusoidal oscillators

    International Nuclear Information System (INIS)

    Florescu, Valeriu

    2008-01-01

    This paper presents two types of active configurations for realizing electronically tunable RC sinusoidal oscillators. The type-1 network employs two grounded scaled resistances KR 1 and KR 2 , where K is scaling factor. The frequency of oscillation W 0 is controlled conveniently by adjusting K, since W 0 appears in the form W 0 =1/K √ R 1 C 1 R 2 C 2 . For realizing the scaled resistances, an active configuration is proposed, which realizes KR 1 =R 1 /(1+f(V B )), where f(V B ) denotes a function of a controlling voltage V B . Thus the frequency tuning can be effected by controlling a voltage V B . The type-2 oscillator uses two periodically switched conductances. It is shown that the tuning of oscillation frequency can be done by varying the pulse width-to-period ratio (t/T) of the periodically switched conductances. (author)

  18. 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.

  19. 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/.

  20. 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

  1. 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

  2. Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

    Energy Technology Data Exchange (ETDEWEB)

    Bradforth, Stephen Edmund [Univ. of California, Berkeley, CA (United States)

    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-, NCO- and NCS-. Transition state photoelectron spectra are presented for the following systems Br + HI, Cl + HI, F + HI, F + CH30H,F + C2H5OH,F + OH and F + H2. 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(3P, 1D) + HF and F + H2. 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 + H2 system, comparisons with three-dimensional quantum calculations are made.

  3. 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

  4. 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

  5. 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.

  6. 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.

  7. 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...

  8. 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.

  9. 47 CFR 95.201 - (R/C Rule 1) What is the Radio Control (R/C) Radio Service?

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false (R/C Rule 1) What is the Radio Control (R/C...) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES Radio Control (R/C) Radio Service General Provisions § 95.201 (R/C Rule 1) What is the Radio Control (R/C) Radio Service? The R/C Service is a private...

  10. 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.

  11. 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

  12. Radiolabelling of RC-160: preliminary results

    International Nuclear Information System (INIS)

    Verdera, E.S.; Balter Binsky, H.S.; Robles, A.M.; Rodriguez, G.; Souto, B.; Laiz, J.; Oliver, P.; Leon, E.

    1998-01-01

    Vapreotide (RC-160) was labelled with 125 I using Chloramine-T and Iodogen methods and with 99m Tc by a direct method with sodium ditionite as reducing agent in the presence of ascorbic acid. Several methods of purification and quality control were evaluated. Yields of the reactions and of purification steps were calculated. The results obtained for the radioiodination reactions showed higher yields when limiting Chloramine-T method was used. Labelling of RC-160 with 99m Tc indicated better yields when high radioactivity concentration of the radionuclide was used. Stability of the products obtained was assessed at different post-labelling times by selected quality control methods: Sep-Pak cartridge as purification method and chromatography by RP-HPLC and ITLC-SG using saline solution as solvent. It was demonstrated that I-125-RC-160 and Tc-99m-RC-160 were stable during five weeks (at -20 deg. C) and 6 hours (at room temperature) respectively. Preliminary biodistribution of Tc-99m-RC-160 in normal rats and mice were done showing different biological behaviour compared with control animals injected with pertechnetate. In conclusion, RC-160 was successfully labelled with both radionuclides, with radiochemical purity higher than 95%. These results encourage further research work in animal models as well as to investigate the biochemical behaviour of radiolabelled peptide. (author)

  13. 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

  14. Baryon-antibaryon dynamics in relativistic heavy-ion collisions

    Science.gov (United States)

    Seifert, E.; Cassing, W.

    2018-04-01

    The dynamics of baryon-antibaryon annihilation and reproduction (B B ¯↔3 M ) is studied within the Parton-Hadron-String Dynamics (PHSD) transport approach for Pb+Pb and Au+Au collisions as a function of centrality from lower Super Proton Synchrotron (SPS) up to Large Hadron Collider (LHC) energies on the basis of the quark rearrangement model. At Relativistic Heavy-Ion Collider (RHIC) energies we find a small net reduction of baryon-antibaryon (B B ¯ ) pairs while for the LHC energy of √{sN N}=2.76 TeV a small net enhancement is found relative to calculations without annihilation (and reproduction) channels. Accordingly, the sizable difference between data and statistical calculations in Pb+Pb collisions at √{sN N}=2.76 TeV for proton and antiproton yields [ALICE Collaboration, B. Abelev et al., Phys. Rev. C 88, 044910 (2013), 10.1103/PhysRevC.88.044910], where a deviation of 2.7 σ was claimed by the ALICE Collaboration, should not be attributed to a net antiproton annihilation. This is in line with the observation that no substantial deviation between the data and statistical hadronization model (SHM) calculations is seen for antihyperons, since according to the PHSD analysis the antihyperons should be modified by the same amount as antiprotons. As the PHSD results for particle ratios are in line with the ALICE data (within error bars) this might point towards a deviation from statistical equilibrium in the hadronization (at least for protons and antiprotons). Furthermore, we find that the B B ¯↔3 M reactions are more effective at lower SPS energies where a net suppression for antiprotons and antihyperons up to a factor of 2-2.5 can be extracted from the PHSD calculations for central Au+Au collisions.

  15. Direct Observation of Energy Detrapping in LH1-RC Complex by Two-Dimensional Electronic Spectroscopy.

    Science.gov (United States)

    Ma, Fei; Yu, Long-Jiang; Hendrikx, Ruud; Wang-Otomo, Zheng-Yu; van Grondelle, Rienk

    2017-01-18

    The purple bacterial core light harvesting antenna-reaction center (LH1-RC) complex is the simplest system able to achieve the entire primary function of photosynthesis. During the past decade, a variety of photosynthetic proteins were studied by a powerful technique, two-dimensional electronic spectroscopy (2DES). However, little attention has been paid to LH1-RC, although its reversible uphill energy transfer, trapping, and backward detrapping processes, represent a crucial step in the early photosynthetic reaction dynamics. Thus, in this work, we employed 2DES to study two LH1-RC complexes of Thermochromatium (Tch.) tepidum. By direct observation of detrapping, the complex reversible process was clearly identified and an overall scheme of the excitation evolution in LH1-RC was obtained.

  16. 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.

  17. Dynamic Secondary Ion Mass Spectrometry | Materials Science | NREL

    Science.gov (United States)

    Ion Mass Spectrometry (SIMS) uses a continuous, focused beam of primary ions to remove material from the surface of a sample by sputtering. The fraction of sputtered material that is ionized is extracted Identifies all elements or isotopes present in a material, from hydrogen to uranium. Different primary-ion

  18. Dynamics of nuclear fission and heavy-ion reactions

    International Nuclear Information System (INIS)

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

    1979-01-01

    Large-amplitude collective motion in fission and heavy-ion reactions is studied by solving classical equations of motion for the time evolution of the nuclear shape. In the nuclear potential energy of deformation, the generalized surface energy was calculated by means of a double volume integral of a Yukawa-plus-exponential function, which was obtained by requiring that two semi-infinite slabs of constant-density nuclear matter have minimum energy at zero separation. The collective kinetic energy is calculated for nuclear flow that is a superposition of incompressible, nearly irrotational collective-shape motion and rigid-body rotation. Nuclear dissipation is included by means of the Rayleigh dissipation function, which depends upon the physical mechanism that converts collective energy into internal energy. For both ordinary two-body viscosity and a combined wall and window one-body dissipation, fission-fragment kinetic energies are calculated for the fission of nuclei throughout the periodic table and compare with experimental results. Finally, the one-body dynamics of nucleons inside a cylinder colliding with a moving piston is explicitly studied by solving exactly the collisionless Boltzmann equation for the distribution function. By examining the relative phases of the pressure at the piston and the piston's velocity, a dissipative force and an elastic restoring force can be separately identified. 9 references

  19. Centrifuge modeling of rocking-isolated inelastic RC bridge piers.

    Science.gov (United States)

    Loli, Marianna; Knappett, Jonathan A; Brown, Michael J; Anastasopoulos, Ioannis; Gazetas, George

    2014-12-01

    Experimental proof is provided of an unconventional seismic design concept, which is based on deliberately underdesigning shallow foundations to promote intense rocking oscillations and thereby to dramatically improve the seismic resilience of structures. Termed rocking isolation , this new seismic design philosophy is investigated through a series of dynamic centrifuge experiments on properly scaled models of a modern reinforced concrete (RC) bridge pier. The experimental method reproduces the nonlinear and inelastic response of both the soil-footing interface and the structure. To this end, a novel scale model RC (1:50 scale) that simulates reasonably well the elastic response and the failure of prototype RC elements is utilized, along with realistic representation of the soil behavior in a geotechnical centrifuge. A variety of seismic ground motions are considered as excitations. They result in consistent demonstrably beneficial performance of the rocking-isolated pier in comparison with the one designed conventionally. Seismic demand is reduced in terms of both inertial load and deck drift. Furthermore, foundation uplifting has a self-centering potential, whereas soil yielding is shown to provide a particularly effective energy dissipation mechanism, exhibiting significant resistance to cumulative damage. Thanks to such mechanisms, the rocking pier survived, with no signs of structural distress, a deleterious sequence of seismic motions that caused collapse of the conventionally designed pier. © 2014 The Authors Published by John Wiley & Sons Ltd.

  20. 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.

  1. Dynamic processes in heavy-ion collisions at intermediate energies

    Science.gov (United States)

    Prendergast, E. P.

    1999-03-01

    This thesis describes the study of the reaction dynamics in heavy-ion collisions of small nuclear systems at intermediate energies. For this, experiments were performed of 24Mg+27A1 at 45 and 95 AMeV. The experiments described in this thesis were performed at the GANIL accelerator facility in Caeri (France) using the Huygens detectors in conjunction with the ‘MUR’. The Huygens detectors consist of the CsI(Tl)-Wall (CIW) covering the backward hemisphere and, located at mid-rapidity, the central trigger detector (CTD), a gas chamber with microstrip read-out backed by 48 plastic scintillators. The forward region is covered by 16 of the plastic scintillators of the CTD and by the MUR, a time-of-flight wall consisting of 96 plastic scintillator sheets. In earlier experiments only fragments with atomic number, Z, greater then two could be identifled in the CTD. Therefore, an investigation was done into the properties of different drift gases. The use of freon (CF4) in the drift chamber, combined with an increase of the gas pressure to 150 mbar, makes it possible to identify all particles with Z ≥ 2. Under these conditions particles with Z = 1 can only be identifled to approximately 25 AMeV. The Isospin Quantum Molecular Dynamics (IQMD) model has been used, to interpret the measured data. This model gives a microscopical description of heavy-ion collisions and simulates collisions on an event by event basis. In IQMD all protons and neutrons are represented as individual Gaussian wave packets. After initialisation the path of each nucleon is calculated for 200 fm/c, after which the simulation is stopped. At this time, nucleons which are close in space are clustered into fragments. The events generated by IQMD can then be processed by a GEANT detector simulation. This calculation takes into account the effects of the detector on the incoming particles. By using the GEANT simulation it is possible to give a direct comparison between the results of IQMD and the

  2. 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...

  3. Biological Membrane Ion Channels Dynamics, Structure, and Applications

    CERN Document Server

    Chung, Shin-Ho; Krishnamurthy, Vikram

    2007-01-01

    Ion channels are biological nanotubes that are formed by membrane proteins. Because ion channels regulate all electrical activities in living cells, understanding their mechanisms at a molecular level is a fundamental problem in biology. This book deals with recent breakthroughs in ion-channel research that have been brought about by the combined effort of experimental biophysicists and computational physicists, who together are beginning to unravel the story of these exquisitely designed biomolecules. With chapters by leading experts, the book is aimed at researchers in nanodevices and biosensors, as well as advanced undergraduate and graduate students in biology and the physical sciences. Key Features Presents the latest information on the molecular mechanisms of ion permeation through membrane ion channels Uses schematic diagrams to illustrate important concepts in biophysics Written by leading researchers in the area of ion channel investigations

  4. The gammaTuRC Nanomachine Mechanism and Future Applications

    Science.gov (United States)

    Riehlman, Timothy D.

    The complexity and precision of the eukaryotic cell's cytoskeletal network is unrivaled by any man-made systems, perfected by billions of years of evolution, mastering elegant processes of self-assembly, error correction, and self-repair. Understanding the capabilities of these networks will have important and far reaching applications in human medicine by aiding our understanding of developmental processes, cellular division, and disease mechanisms, and through biomimicry will provide insights for biosynthetic manufacturing at the nanoscale and across scales. My research utilizes cross species techniques from Human to the model organism of Fission Yeast to investigate the structure and mechanisms of the g-tubulin ring complex (gTuRC). The gTuRC is a highly conserved eukaryotic multiprotein complex serving as a microtubule organizing center (MTOC) responsible for microtubule nucleation through templating, regulation of dynamics, and establishment of microtubule polarity. Microtubules are 25 nm diameter dynamic flexible polymers of a/b-tubulin heterodimers that function as scaffolds, force generators, distributors, and intracellular highways. The microtubule cytoskeleton is essential for numerous fundamental cellular processes such as mitotic division of chromosomes and cell division, organelle distribution within the cell, cell signaling, and cell shape. This incredible diversity in functions is made possible in part due to molecular motor Kinesin-like proteins (Klps), which allow expansion into more specialized neural, immune, and ciliated cell functions. Combined, the MTOC, microtubules, and Klps represent ideal microtubule cytoskeleton protein (MCP) modular components for in vitro biomimicry towards generation of adaptable patterned networks for human designed applications. My research investigates the hypothesis that a mechanistic understanding of conserved MTOC gTuRC mechanisms will help us understand dynamic cellular nanomachines and their ability to self

  5. 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.

  6. 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.

  7. Fractional-order RC and RL circuits

    KAUST Repository

    Radwan, Ahmed Gomaa

    2012-05-30

    This paper is a step forward to generalize the fundamentals of the conventional RC and RL circuits in fractional-order sense. The effect of fractional orders is the key factor for extra freedom, more flexibility, and novelty. The conditions for RC and RL circuits to act as pure imaginary impedances are derived, which are unrealizable in the conventional case. In addition, the sensitivity analyses of the magnitude and phase response with respect to all parameters showing the locations of these critical values are discussed. A qualitative revision for the fractional RC and RL circuits in the frequency domain is provided. Numerical and PSpice simulations are included to validate this study. © Springer Science+Business Media, LLC 2012.

  8. 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

  9. 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

  10. Kinetic theory for electron dynamics near a positive ion

    International Nuclear Information System (INIS)

    Wrighton, Jeffrey M; Dufty, James W

    2008-01-01

    A theoretical description of time correlation functions for electron properties in the presence of a positive ion of charge number Z is given. The simplest case of an electron gas distorted by a single ion is considered. A semi-classical representation with a regularized electron–ion potential is used to obtain a linear kinetic theory that is asymptotically exact at short times. This Markovian approximation includes all initial (equilibrium) electron–electron and electron–ion correlations through renormalized pair potentials. The kinetic theory is solved in terms of single-particle trajectories of the electron–ion potential and a dielectric function for the inhomogeneous electron gas. The results are illustrated by a calculation of the autocorrelation function for the electron field at the ion. The dependence on charge number Z is shown to be dominated by the bound states of the effective electron–ion potential. On this basis, a very simple practical representation of the trajectories is proposed and shown to be accurate over a wide range including strong electron–ion coupling. This simple representation is then used for a brief analysis of the dielectric function for the inhomogeneous electron gas

  11. 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

  12. 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.

  13. 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

  14. 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.

  15. Comparison of single-ion molecular dynamics in common solvents

    Science.gov (United States)

    Muralidharan, A.; Pratt, L. R.; Chaudhari, M. I.; Rempe, S. B.

    2018-06-01

    Laying a basis for molecularly specific theory for the mobilities of ions in solutions of practical interest, we report a broad survey of velocity autocorrelation functions (VACFs) of Li+ and PF6- ions in water, ethylene carbonate, propylene carbonate, and acetonitrile solutions. We extract the memory function, γ(t), which characterizes the random forces governing the mobilities of ions. We provide comparisons controlling for the effects of electrolyte concentration and ion-pairing, van der Waals attractive interactions, and solvent molecular characteristics. For the heavier ion (PF6-), velocity relaxations are all similar: negative tail relaxations for the VACF and a clear second relaxation for γ (t ), observed previously also for other molecular ions and with n-pentanol as the solvent. For the light Li+ ion, short time-scale oscillatory behavior masks simple, longer time-scale relaxation of γ (t ). But the corresponding analysis of the solventberg Li+(H2O)4 does conform to the standard picture set by all the PF6- results.

  16. Dynamics of electrons and heavy ions in Mercury's magnetosphere

    International Nuclear Information System (INIS)

    Ip, W.H.

    1987-01-01

    The present investigation of Mercury magnetosphere processes employs simple models for the adiabatic acceleration and convection of equatorially mirroring charged particles, as well as the current sheet acceleration effect and the acceleration of such exospheric ions as that of Na(+) by both electric and magnetic magnetospheric fields near Mercury's surface. The large gyroradii of such heavy ions as those of Na allow surface reimpact as well as magnetopause-interception losses to occur; gyromotion-derived kinetic energy could in the case of the latter process account for the loss of as many as half of the planet's exospheric ions. 27 references

  17. 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.

  18. 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.

  19. Longitudinal dynamics of laser-cooled fast ion beams

    DEFF Research Database (Denmark)

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

    1999-01-01

    We present recent results of our experiments on laser cooling of fast stored ion beams at the Heidelberg Test Storage Ring. The longitudinal motion of the ions is directly cooled by the light pressure force, whereas efficient transverse cooling is obtained indirectly by longitudinal-transverse co......We present recent results of our experiments on laser cooling of fast stored ion beams at the Heidelberg Test Storage Ring. The longitudinal motion of the ions is directly cooled by the light pressure force, whereas efficient transverse cooling is obtained indirectly by longitudinal....... When applying laser cooling in square-well buckets over long time intervals, hard Coulomb collisions suddenly disappear and the longitudinal temperature drops by about a factor of three. The observed longitudinal behaviour of the beam shows strong resemblance with the transition to an Coulomb...

  20. 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...

  1. The calcium-dependent protein kinase RcCDPK2 phosphorylates sucrose synthase at Ser11 in developing castor oil seeds.

    Science.gov (United States)

    Fedosejevs, Eric T; Gerdis, Suzanne A; Ying, Sheng; Pyc, Michal; Anderson, Erin M; Snedden, Wayne A; Mullen, Robert T; She, Yi-Min; Plaxton, William C

    2016-10-15

    Imported sucrose is cleaved by sucrose synthase (SUS) as a critical initial reaction in the biosynthesis of storage end-products by developing seeds. Although SUS is phosphorylated at a conserved seryl residue by an apparent CDPK (Ca 2+ -dependent protein kinase) in diverse plant tissues, the functions and mechanistic details of this process remain obscure. Thus, the native CDPK that phosphorylates RcSUS1 (Ricinus communis SUS1) at Ser 11 in developing COS (castor oil seeds) was highly purified and identified as RcCDPK2 by MS/MS. Purified RcSUS1-K (-kinase) and heterologously expressed RcCDPK2 catalyzed Ca 2+ -dependent Ser 11 phosphorylation of RcSUS1 and its corresponding dephosphopeptide, while exhibiting a high affinity for free Ca 2+ ions [K 0.5 (Ca 2+ ) < 0.4 µM]. RcSUS1-K activity, RcCDPK2 expression, and RcSUS1 Ser 11 phosphorylation peaked during early COS development and then declined in parallel. The elimination of sucrose import via fruit excision triggered RcSUS1 dephosphorylation but did not alter RcSUS1-K activity, suggesting a link between sucrose signaling and posttranslational RcCDPK2 control. Both RcCDPK2-mCherry and RcSUS1-EYFP co-localized throughout the cytosol when transiently co-expressed in tobacco suspension cells, although RcCDPK2-mCherry was also partially localized to the nucleus. Subcellular fractionation revealed that ∼20% of RcSUS1-K activity associates with microsomal membranes in developing COS, as does RcSUS1. In contrast with RcCDPK1, which catalyzes inhibitory phosphorylation of COS bacterial-type phosphoenolpyruvate carboxylase at Ser 451 , RcCDPK2 exhibited broad substrate specificity, a wide pH-activity profile centered at pH 8.5, and insensitivity to metabolite effectors or thiol redox status. Our combined results indicate a possible link between cytosolic Ca 2+ -signaling and the control of photosynthate partitioning during COS development. © 2016 The Author(s); published by Portland Press Limited on behalf of the

  2. RC Circuits: Some Computer-Interfaced Experiments.

    Science.gov (United States)

    Jolly, Pratibha; Verma, Mallika

    1994-01-01

    Describes a simple computer-interface experiment for recording the response of an RC network to an arbitrary input excitation. The setup is used to pose a variety of open-ended investigations in network modeling by varying the initial conditions, input signal waveform, and the circuit topology. (DDR)

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. 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

  8. 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.

  9. 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...

  10. Numerical simulation of heavy ion charge generation and collection dynamics

    International Nuclear Information System (INIS)

    Dussault, H.; Howard, J.W. Jr.; Block, R.C.; Stapor, W.J.; Knudson, A.R.

    1993-01-01

    This paper describes a complete simulation approach to investigating the physics of heavy-ion charge generation and collection during a single event transient in a PN diode. The simulations explore the effects of different ion track models, applied biases, background dopings, and LET on the transient responses of a PN diode. The simulation results show that ion track structure and charge collection via diffusion-dominated processes play important roles in determining device transient responses. The simulations show no evidence of rapid charge collection in excess of that deposited in the device depletion region in typical funneling time frames (i.e., by time to peak current or in less than 500 ps). Further, the simulations clearly show that the device transient responses are not simple functions of the ion's incident LET. The simulation results imply that future studies and experiments should consider the effects of ion track structure in addition to LET and extend transient charge collection times to insure that reported charge collection efficiencies include diffusion-dominated collection processes

  11. Sensor-actuator system for dynamic chloride ion determination.

    Science.gov (United States)

    de Graaf, Derk Balthazar; Abbas, Yawar; Gerrit Bomer, Johan; Olthuis, Wouter; van den Berg, Albert

    2015-08-12

    Chloride is a crucial anion for various analytical applications from biological to environmental applications. In order to measure the chloride ion concentration, a measurement system is needed which can detect this concentration for prolonged times reliably. Chronopotentiometry is a technique which does not need a long term stable reference electrode and is therefore very suitable for prolonged ion concentration measurements. As the used electrode might be fouled by reaction products, this work focuses on a chronopotentiometric approach with a separated sensing electrode (sensor) and actuating electrode (actuator). Both actuation and sensor electrode are made of Ag/AgCl. A constant current is applied to the actuator and will start the reaction between Ag and Cl-, while the resulting Cl- ion concentration change is observed through the sensor, which is placed close to the actuator. The time it takes to locally deplete the Cl- ions is called transition time. Experiments were performed to verify the feasibility of this approach. The performed experiments show that the sensor detects the local concentration changes resulting from the current applied to the actuator. A linear relation between the Cl- ion concentration and the square root of the transition time was observed, just as was predicted by theory. The calibration curves for different chips showed that both a larger sensor and a larger distance between sensor and actuator resulted in a larger time delay between the transition time detected at the actuator and the sensor. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. 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.

  13. 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.

  14. Implementation of RC5 and RC6 block ciphers on digital images

    International Nuclear Information System (INIS)

    Belhaj Mohamed, A.; Zaibi, G.; Kachouri, A.

    2011-01-01

    With the fast evolution of the networks technology, the security becomes an important research axis. Many types of communication require the transmission of digital images. This transmission must be safe especially in applications that require a fairly high level of security such as military applications, spying, radars, and biometrics applications. Mechanisms for authentication, confidentiality, and integrity must be implemented within their community. For this reason, several cryptographic algorithms have been developed to ensure the safety and reliability of this transmission. In this paper, we investigate the encryption efficiency of RC5 and RC6 block cipher applied to digital images by including a statistical and differential analysis then, and also we investigate those two block ciphers against errors in ambient noise. The security analysis shows that RC6 algorithm is more secure than RC5. However, using RC6 to encrypt images in rough environment (low signal to noise ratio) leads to more errors (almost double of RC5) and may increase energy consumption by retransmitting erroneous packets. A compromise security/energy must be taken into account for the good choice of encryption algorithm.

  15. 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)

  16. Biochemical and Molecular Characterization of RcSUS1, a Cytosolic Sucrose Synthase Phosphorylated in Vivo at Serine 11 in Developing Castor Oil Seeds*

    Science.gov (United States)

    Fedosejevs, Eric T.; Ying, Sheng; Park, Joonho; Anderson, Erin M.; Mullen, Robert T.; She, Yi-Min; Plaxton, William C.

    2014-01-01

    Sucrose synthase (SUS) catalyzes the UDP-dependent cleavage of sucrose into UDP-glucose and fructose and has become an important target for improving seed crops via metabolic engineering. A UDP-specific SUS homotetramer composed of 93-kDa subunits was purified to homogeneity from the triacylglyceride-rich endosperm of developing castor oil seeds (COS) and identified as RcSUS1 by mass spectrometry. RcSUS1 transcripts peaked during early development, whereas levels of SUS activity and immunoreactive 93-kDa SUS polypeptides maximized during mid-development, becoming undetectable in fully mature COS. The cytosolic location of the enzyme was established following transient expression of RcSUS1-enhanced YFP in tobacco suspension cells and fluorescence microscopy. Immunological studies using anti-phosphosite-specific antibodies revealed dynamic and high stoichiometric in vivo phosphorylation of RcSUS1 at its conserved Ser-11 residue during COS development. Incorporation of 32Pi from [γ-32P]ATP into a RcSUS1 peptide substrate, alongside a phosphosite-specific ELISA assay, established the presence of calcium-dependent RcSUS1 (Ser-11) kinase activity. Approximately 10% of RcSUS1 was associated with COS microsomal membranes and was hypophosphorylated relative to the remainder of RcSUS1 that partitioned into the soluble, cytosolic fraction. Elimination of sucrose supply caused by excision of intact pods of developing COS abolished RcSUS1 transcription while triggering the progressive dephosphorylation of RcSUS1 in planta. This did not influence the proportion of RcSUS1 associated with microsomal membranes but instead correlated with a subsequent marked decline in SUS activity and immunoreactive RcSUS1 polypeptides. Phosphorylation at Ser-11 appears to protect RcSUS1 from proteolysis, rather than influence its kinetic properties or partitioning between the soluble cytosol and microsomal membranes. PMID:25313400

  17. 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

  18. WIMP detection and slow ion dynamics in carbon nanotube arrays

    CERN Document Server

    Cavoto, G.; Cocina, F.; Ferretti, J.; Polosa, A.D.

    2016-06-24

    Large arrays of aligned carbon nanotubes (CNTs), open at one end, could be used as target material for the directional detection of weakly interacting dark matter particles (WIMPs). As a result of a WIMP elastic scattering on a CNT, a carbon ion might be injected in the body of the array and propagate through multiple collisions within the lattice. The ion may eventually emerge from the surface with open end CNTs, provided that its longitudinal momentum is large enough to compensate energy losses and its transverse momentum approaches the channeling conditions in a single CNT. Therefore, the angle formed between the WIMP wind apparent orientation and the direction of parallel carbon nanotube axes must be properly chosen. We focus on very low ion recoil kinetic energies, related to low mass WIMPs (~ 10 GeV) where most of the existing experiments have low sensitivity. Relying on some exact results on two-dimensional lattices of circular obstacles, we study the low energy ion motion in the transverse plane with ...

  19. WIMP detection and slow ion dynamics in carbon nanotube arrays

    International Nuclear Information System (INIS)

    Cavoto, G.; Cirillo, E.N.M.; Cocina, F.; Ferretti, J.; Polosa, A.D.

    2016-01-01

    Large arrays of aligned carbon nanotubes (CNTs), open at one end, could be used as target material for the directional detection of weakly interacting dark matter particles (WIMPs). As a result of a WIMP elastic scattering on a CNT, a carbon ion might be injected in the body of the array and propagate through multiple collisions within the lattice. The ion may eventually emerge from the surface with open end CNTs, provided that its longitudinal momentum is large enough to compensate energy losses and its transverse momentum approaches the channeling conditions in a single CNT. Therefore, the angle formed between the WIMP wind apparent orientation and the direction of parallel carbon nanotube axes must be properly chosen. We focus on very low ion recoil kinetic energies, related to low mass WIMPs (∼ 11 GeV) where most of the existing experiments have low sensitivity. Relying on some exact results on two-dimensional lattices of circular obstacles, we study the low energy ion motion in the transverse plane with respect to CNT directions. New constraints are obtained on how to devise the CNT arrays to maximize the target channeling efficiency. (orig.)

  20. WIMP detection and slow ion dynamics in carbon nanotube arrays

    Energy Technology Data Exchange (ETDEWEB)

    Cavoto, G. [INFN Sezione di Roma, Rome (Italy); Cirillo, E.N.M. [Sapienza Universita di Roma, Dipartimento SBAI, Rome (Italy); Cocina, F. [Sapienza Universita di Roma, Dipartimento di Fisica, Rome (Italy); Ferretti, J. [Sapienza Universita di Roma, Dipartimento di Fisica (Italy); INFN Sezione di Roma, Rome (Italy); Polosa, A.D. [Sapienza Universita di Roma, Dipartimento di Fisica (Italy); CERN, Theory Division, Geneva (Switzerland); INFN Sezione di Roma, Rome (Italy)

    2016-06-15

    Large arrays of aligned carbon nanotubes (CNTs), open at one end, could be used as target material for the directional detection of weakly interacting dark matter particles (WIMPs). As a result of a WIMP elastic scattering on a CNT, a carbon ion might be injected in the body of the array and propagate through multiple collisions within the lattice. The ion may eventually emerge from the surface with open end CNTs, provided that its longitudinal momentum is large enough to compensate energy losses and its transverse momentum approaches the channeling conditions in a single CNT. Therefore, the angle formed between the WIMP wind apparent orientation and the direction of parallel carbon nanotube axes must be properly chosen. We focus on very low ion recoil kinetic energies, related to low mass WIMPs (∼ 11 GeV) where most of the existing experiments have low sensitivity. Relying on some exact results on two-dimensional lattices of circular obstacles, we study the low energy ion motion in the transverse plane with respect to CNT directions. New constraints are obtained on how to devise the CNT arrays to maximize the target channeling efficiency. (orig.)

  1. WIMP detection and slow ion dynamics in carbon nanotube arrays.

    Science.gov (United States)

    Cavoto, G; Cirillo, E N M; Cocina, F; Ferretti, J; Polosa, A D

    2016-01-01

    Large arrays of aligned carbon nanotubes (CNTs), open at one end, could be used as target material for the directional detection of weakly interacting dark matter particles (WIMPs). As a result of a WIMP elastic scattering on a CNT, a carbon ion might be injected in the body of the array and propagate through multiple collisions within the lattice. The ion may eventually emerge from the surface with open end CNTs, provided that its longitudinal momentum is large enough to compensate energy losses and its transverse momentum approaches the channeling conditions in a single CNT. Therefore, the angle formed between the WIMP wind apparent orientation and the direction of parallel carbon nanotube axes must be properly chosen. We focus on very low ion recoil kinetic energies, related to low mass WIMPs ([Formula: see text] GeV) where most of the existing experiments have low sensitivity. Relying on some exact results on two-dimensional lattices of circular obstacles, we study the low energy ion motion in the transverse plane with respect to CNT directions. New constraints are obtained on how to devise the CNT arrays to maximize the target channeling efficiency.

  2. Sodium Ion Dynamics in the Magnetospheric Flanks of Mercury

    Science.gov (United States)

    Aizawa, S.; Delcourt, D.; Terada, N.

    2018-05-01

    We examine the particle transport via the Kelvin-Helmholtz instability by using simulation. The heavy ions of planetary origin such as Na+ may experience prominent nonadiabatic energization as they ExB drift across large-scale rolled up vortices.

  3. 47 CFR 95.221 - (R/C Rule 21) How do I have my R/C transmitter serviced?

    Science.gov (United States)

    2010-10-01

    ... FCC certificated R/C transmitter (see R/C Rule 9) must be made in accord with the Technical... in order to: (1) Adjust a transmitter to an antenna; (2) Detect or measure radiation of energy other...

  4. 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.

  5. Fractional RC and LC Electrical Circuits

    Directory of Open Access Journals (Sweden)

    Gómez-Aguilar José Francisco

    2014-04-01

    Full Text Available In this paper we propose a fractional differential equation for the electrical RC and LC circuit in terms of the fractional time derivatives of the Caputo type. The order of the derivative being considered is 0 < ɣ ≤1. To keep the dimensionality of the physical parameters R, L, C the new parameter σ is introduced. This parameter characterizes the existence of fractional structures in the system. A relation between the fractional order time derivative ɣ and the new parameter σ is found. The numeric Laplace transform method was used for the simulation of the equations results. The results show that the fractional differential equations generalize the behavior of the charge, voltage and current depending of the values of ɣ. The classical cases are recovered by taking the limit when ɣ = 1. An analysis in the frequency domain of an RC circuit shows the application and use of fractional order differential equations.

  6. Fatigue behavior of RC T-beams

    Directory of Open Access Journals (Sweden)

    Omar A. Farghal

    2014-09-01

    Full Text Available The objective of this research is to study the fatigue performance of reinforced concrete (RC T-beams strengthened in shear with Carbon Fiber Reinforced Polymer (CFRP composite. Experiments were conducted on RC beams with and without CFRP sheets bonded on their web surfaces and subjected to static and cycling loading. The obtained results showed that the strengthened beams could survive one million cycles of cyclic loading (=50% of maximum static load with no apparent signs of damage (premature failure demonstrating the effectiveness of CFRP strengthening system on extending the fatigue life of structures. Also, for beams having the same geometry, the applied strengthening technique can significantly enhance the cycling load particularly, in case of beams provided with U-jacket sheets. Moreover, although the failure mode for the different beams was a brittle one, the strengthened beams provided with U-jacket sheets approved an acceptable enhancement in the structural ductility.

  7. DISTRIBUTED RC NETWORKS WITH RATIONAL TRANSFER FUNCTIONS,

    Science.gov (United States)

    A distributed RC circuit analogous to a continuously tapped transmission line can be made to have a rational short-circuit transfer admittance and...one rational shortcircuit driving-point admittance. A subcircuit of the same structure has a rational open circuit transfer impedance and one rational ...open circuit driving-point impedance. Hence, rational transfer functions may be obtained while considering either generator impedance or load

  8. 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.

  9. 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)

  10. 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.

  11. 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.)

  12. Dynamics of heavy ion beams during longitudinal compression

    International Nuclear Information System (INIS)

    Ho, D.D.M.; Bangerter, R.O.; Lee, E.P.; Brandon, S.; Mark, J.W.K.

    1987-01-01

    Heavy ion beams with initially uniform line charge density can be compressed longitudinally by an order of magnitude in such a way that the compressed beam has uniform line charge density and velocity-tilt profiles. There are no envelope mismatch oscillations during compression. Although the transverse temperature varies along the beam and also varies with time, no substantial longitudinal and transverse emittance growth has been observed. Scaling laws for beam radius and transport system parameters are given

  13. Sodium Ion Dynamics in the Magnetospheric Flanks of Mercury

    Science.gov (United States)

    Aizawa, Sae; Delcourt, Dominique; Terada, Naoki

    2018-01-01

    We investigate the transport of planetary ions in the magnetospheric flanks of Mercury. In situ measurements from the MErcury Surface, Space ENvironment, GEochemistry, and Ranging spacecraft show evidences of Kelvin-Helmholtz instability development in this region of space, due to the velocity shear between the downtail streaming flow of solar wind originating protons in the magnetosheath and the magnetospheric populations. Ions that originate from the planet exosphere and that gain access to this region of space may be transported across the magnetopause along meandering orbits. We examine this transport using single-particle trajectory calculations in model Magnetohydrodynamics simulations of the Kelvin-Helmholtz instability. We show that heavy ions of planetary origin such as Na+ may experience prominent nonadiabatic energization as they E × B drift across large-scale rolled up vortices. This energization is controlled by the characteristics of the electric field burst encountered along the particle path, the net energy change realized corresponding to the maximum E × B drift energy. This nonadiabatic energization also is responsible for prominent scattering of the particles toward the direction perpendicular to the magnetic field.

  14. 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

  15. 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

  16. Endogenous Ion Dynamics in Cell Motility and Tissue Regeneration

    International Nuclear Information System (INIS)

    Özkucur, N; Perike, S; Epperlein, H H; Funk, R H W

    2011-01-01

    Directional cell migration is an essential process, including regeneration of tissues, wound healing, and embryonic development. Cells achieve persistent directional migration by polarizing the spatiotemporal components involved in the morphological polarity. Ion transporter proteins situated at the cell membrane generates small electric fields that can induce directional cell motility. Besides them, externally applied direct current electric fields induce similar kind of responses as cell orientation and directional migration. However, the bioelectric mechanisms that lead to cellular directedness are poorly understood. Therefore, understanding the bioelectric signaling cues can serve as a powerful modality in controlling the cell behaviour, which can contribute additional insights for development and regeneration.

  17. ELASTO-PLASTIC BEHAVIOR OF RC FRAMES COMPOSED OF STEEL JACKETTED RC SHORT COLUMNS AND SPANDREL WALLS

    OpenAIRE

    Nasruddin

    2012-01-01

    This experimental study is a part of the investigation on the seismic design method for Double Tubes Hybrid System (DTHS) for buildings. This structural system consists of RC core walls as the interior tube, and the exterior frames composed of RC short columns and RC spandrel walls as the exterior tube. The RC core walls are designed as the Energy Dissipation Structural Walls (EDSW), which are composed of RC coupled shear walls linked by short steel H-shaped beams as the energy dissipation de...

  18. Dynamic Processes in Nanostructured Crystals Under Ion Irradiation

    Science.gov (United States)

    Uglov, V. V.; Kvasov, N. T.; Shimanski, V. I.; Safronov, I. V.; Komarov, N. D.

    2018-02-01

    The paper presents detailed investigations of dynamic processes occurring in nanostructured Si(Fe) material under the radiation exposure, namely: heating, thermoelastic stress generation, elastic disturbances of the surrounding medium similar to weak shock waves, and dislocation generation. The performance calculations are proposed for elastic properties of the nanostructured material with a glance to size effects in nanoparticles.

  19. 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

  20. 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.

  1. 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.

  2. 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.)

  3. 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.).

  4. 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

  5. Ion dynamics in cationic lipid bilayer systems in saline solutions

    DEFF Research Database (Denmark)

    Miettinen, Markus S; Gurtovenko, Andrey A; Vattulainen, Ilpo

    2009-01-01

    Positively charged lipid bilayer systems are a promising class of nonviral vectors for safe and efficient gene and drug delivery. Detailed understanding of these systems is therefore not only of fundamental but also of practical biomedical interest. Here, we study bilayers comprising a binary...... are concluded to be interesting for the physics of the whole membrane, especially considering its interaction dynamics with charged macromolecular surfaces....

  6. Femtosecond photodissociation dynamics of I studied by ion imaging

    DEFF Research Database (Denmark)

    Larsen, J.J.; Bjerre, N.; Mørkbak, N.J.

    1998-01-01

    on imaging is employed to analyze the fragments from timed Coulomb explosion studies of femtosecond (fs) molecular dynamics. The technique provides high detection efficiency and direct recording of the two-dimensional velocity of all ionized fragments. We illustrate the approach by studying...... agreement with quantum mechanical wave packet simulations. We discuss the perspectives for extending the studies to photochemical reactions of small polyatomic molecules...

  7. SOIL STRUCTURE INTERACTION EFFECTS ON MULTISTOREY R/C STRUCTURES

    Directory of Open Access Journals (Sweden)

    Muberra ESER AYDEMIR

    2013-01-01

    Full Text Available This paper addresses the behavior of multistorey structures considering soil structure interaction under earthquake excitation. For this purpose, sample 3, 6, 9 storey RC frames are designed based on Turkish Seismic Design Code and analyzed in time domain with incremental dynamic analysis. Strength reduction factors are investigated for generated sample plane frames for 64 different earthquake motions recorded on different site conditions such as rock, stiff soil, soft soil and very soft soil. According to the analysis result, strength reduction factors of sample buildings considering soil structure interaction are found to be almost always smaller than design strength reduction factors given in current seismic design codes, which cause an unsafe design and nonconservative design forces.

  8. Dynamics of ion beam charge neutralization by ferroelectric plasma sources

    Energy Technology Data Exchange (ETDEWEB)

    Stepanov, Anton D.; Gilson, Erik P.; Grisham, Larry R.; Kaganovich, Igor D.; Davidson, Ronald C. [Princeton Plasma Physics Laboratory, Princeton University, P.O. Box 451, Princeton, New Jersey 08543 (United States)

    2016-04-15

    Ferroelectric Plasma Sources (FEPSs) can generate plasma that provides effective space-charge neutralization of intense high-perveance ion beams, as has been demonstrated on the Neutralized Drift Compression Experiment NDCX-I and NDCX-II. This article presents experimental results on charge neutralization of a high-perveance 38 keV Ar{sup +} beam by a plasma produced in a FEPS discharge. By comparing the measured beam radius with the envelope model for space-charge expansion, it is shown that a charge neutralization fraction of 98% is attainable with sufficiently dense FEPS plasma. The transverse electrostatic potential of the ion beam is reduced from 15 V before neutralization to 0.3 V, implying that the energy of the neutralizing electrons is below 0.3 eV. Measurements of the time-evolution of beam radius show that near-complete charge neutralization is established ∼5 μs after the driving pulse is applied to the FEPS and can last for 35 μs. It is argued that the duration of neutralization is much longer than a reasonable lifetime of the plasma produced in the sub-μs surface discharge. Measurements of current flow in the driving circuit of the FEPS show the existence of electron emission into vacuum, which lasts for tens of μs after the high voltage pulse is applied. It is argued that the beam is neutralized by the plasma produced by this process and not by a surface discharge plasma that is produced at the instant the high-voltage pulse is applied.

  9. 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.

  10. Surface modification of M50 steel by dual-ion-beam dynamic mixing

    International Nuclear Information System (INIS)

    Kuang Yuanzhu; Jan Jun; Qin Ouyang

    1994-01-01

    TaN films have many attractive characteristics, and so have been used for electronic and mechanical applications. There are many methods used for deposition of TaN films. Recently, the ion-beam dynamic mixing method has been used for thin film deposition and materials modification. In order to obtain high performance, stoichiometric composition and good adhesion we have deposited TaN films by a dual-ion-beam dynamic mixing method. This paper introduces the deposition and properties of TaN films on M50 steel by dual-ion-beam dynamic mixing. The microstructure of films was analysed by X-ray diffraction and Auger electron spectroscopy (AES). The microhardness, resistance to wear and erosion of these films were determined. The results showed that (1) the TaN films were successfully deposited on M50 steel by this method, (2) the performance, resistance to wear and erosion of M50 steel were improved by ion-beam-mixing deposition of the TaN thin films, (3) AES showed there was a mixed layer on the film interface, (4) the microhardness of the thin film depends on microstructure and thickness and (5) the microstructure and quality of the films depends on the deposition conditions, so it is important to select the proper operational parameters of ion sources. ((orig.))

  11. FRP strengthening of RC walls with openings

    DEFF Research Database (Denmark)

    Hansen, Christian Skodborg; Sas, Gabriel; Täljsten, Björn

    2009-01-01

    Strengthening reinforced concrete (RC) walls with openings using fibre reinforced polymers (FRP) has been experimentally proven to be a viable rehabilitation method. However, very few theoretical investigations are reported. In this paper two methods of analysis are presented. Since openings vary...... in size, the analysis of a strengthened wall can be divided into frame idealization method for large openings, and combined disk and frame analysis for smaller openings. The first method provides an easy to use tool in practical engineering, where the latter describes the principles of a ductile...

  12. 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

  13. 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

  14. 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

  15. 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...

  16. 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.

  17. 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

  18. 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.

  19. Dynamics of atoms-ions transformation processes in the radioactive ion production systems ISOL

    International Nuclear Information System (INIS)

    Jardin, Pascal

    2013-01-01

    The aims of this work were 1)to study the effect of diffusion, effusion and ionization processes in the atom-ion transformation, 2)to better understand the temporal behaviour of ISOL devices and to apply it to the developments of the ISOL production systems. These aims were partially reached: the results obtained with 'ECS ECR' of SPIRAL 1 and SPIRAL 2 and their confrontation have allowed to analytically described their temporal behaviour and to reveal under which conditions it is possible to consider the processes of diffusion, effusion and ionization as separable processes and consequently to consider them as consecutive. (O.M.) [fr

  20. 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.

  1. Impact response of RC rock-shed girder with sand cushion under falling load

    International Nuclear Information System (INIS)

    Bhatti, Abdul Qadir; Kishi, Norimitsu

    2010-01-01

    Research highlights: → An applicability of FE model of RC girders with sand cushion has been investigated. → Experimental and numerical results of Impact force, reaction force and displacement have been performed. → Cracks obtained from numerical models are in good agreement with the experimental ones. → Reaction force-displacement loops agree well between numerical and experimental results. → The configuration of the hysteretic loop at failure of RC girders can be approximated by a parallelogram. - Abstract: In order to establish a proper finite element model of prototype RC girder with sand element for impact response analysis, dynamic response analysis of RC girders with sand cushion subjected to impact force due to weight falling from the height of H = 2.5, 5, 7.5 and 10 m was performed to improve the state of the art of protective design for real scale rock-sheds by using LS-DYNA code. An applicability of proposed model was discussed comparing with experimental results (e.g. impact force, reaction force and displacement waves). From this study, dynamic characteristics of impact response can be better simulated by using the proposed model. As a result, when the sand cushion was set up, the impact force, reaction force, mid-span displacement waves, distribution of reaction force-displacement loops, and crack patterns obtained from the numerical analysis are in good agreement with those from the experimental results.

  2. Dynamics of GeV light-ion-induced reactions

    International Nuclear Information System (INIS)

    Kwiatkowski, K.; Bracken, D.S.; Foxford, E.R.; Ginger, D.S.; Hsi, W.C.; Morley, K.B.; Viola, V.E.; Wang, G.; Korteling, R.G.; Legrain, R.

    1996-09-01

    Recent results from studies of the 1.8 - 4.8 GeV 3 He + nat Ag, 197 Au reactions at LNS with the ISiS detector array have shown evidence for a saturation in deposition energy and multifragmentation from a low-density source. The collision dynamics have been examined in the context of intranuclear cascade and BUU models, while breakup phenomena have been compared with EES and SMM models. Fragment-fragment correlations and isotope ratios are also investigated. (K.A.)

  3. 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.

  4. 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

  5. Dynamical hindrance to compound nucleus formation in heavy ion reactions

    International Nuclear Information System (INIS)

    Blocki, J.; Feldmeier, H.; Swiatecki, W.J.

    1987-01-01

    A large number of dynamical trajectories corresponding to colliding nuclei, as represented by an idealized, sharp-surfaced liquid-drop model with one-body dissipation are examined. The objective was to delineate quantitatively, within this model, the behaviour of the extra-extra-push energy E XX in its dependence on the mass /or charge/ numbers of the colliding nuclei. Qualitatively, the results are as anticipated on the basis of earlier studies: the appearance of a dynamical limitation on compound nucleus formation beyond a certain threshold locus in the A 1 . A 2 plane, with the energy E XX rising smoothly but rapidly beyond the threshold. The reduction of the two-dimensional function E XX /A 1 ,A 2 / to a one-dimensional function of a mean fissility x m appears possible as a rough approximation. As expected, the mean fissility x and the entrance channel fissility x 0 . The optimum choice appears to be one in which x is given about twice the weight of x 0

  6. Stopping dynamics of ions passing through correlated honeycomb clusters

    Science.gov (United States)

    Balzer, Karsten; Schlünzen, Niclas; Bonitz, Michael

    2016-12-01

    A combined nonequilibrium Green functions-Ehrenfest dynamics approach is developed that allows for a time-dependent study of the energy loss of a charged particle penetrating a strongly correlated system at zero and finite temperatures. Numerical results are presented for finite inhomogeneous two-dimensional Fermi-Hubbard models, where the many-electron dynamics in the target are treated fully quantum mechanically and the motion of the projectile is treated classically. The simulations are based on the solution of the two-time Dyson (Keldysh-Kadanoff-Baym) equations using the second-order Born, third-order, and T -matrix approximations of the self-energy. As application, we consider protons and helium nuclei with a kinetic energy between 1 and 500 keV/u passing through planar fragments of the two-dimensional honeycomb lattice and, in particular, examine the influence of electron-electron correlations on the energy exchange between projectile and electron system. We investigate the time dependence of the projectile's kinetic energy (stopping power), the electron density, the double occupancy, and the photoemission spectrum. Finally, we show that, for a suitable choice of the Hubbard model parameters, the results for the stopping power are in fair agreement with ab initio simulations for particle irradiation of single-layer graphene.

  7. The study of hadron dynamics in relativistic heavy ion collisions

    International Nuclear Information System (INIS)

    Venema, L.B.

    1994-01-01

    In this thesis, pion emission patterns were studied in two reaction systems Ar + Ca and Au + Au at 1 GeV/u, with the aim to improve the understanding of the pion production in relativistic heavy ion collisions. The study of the high energy tail of the π 0 -momentum spectrum was regarded as promising because of its sensitivity to compression since it did not appear in small reaction systems. Experiments were performed with TAPS together with the Forward Wall of the FoPi-collaboration at GSI. The combined measurement of charged particle multiplicities in the Forward Wall and the particles entering TAPS enabled an exclusive study of the pion production. TAPS was tested in separate experiments and its capabilities were demonstrated by measuring different reaction products, like photons, charged particles and neutrons. The data analysis involved new methods to treat the background contamination below the invariant mass peak of the π 0 -meson due to the geometry of the detector and to perform particle identification in a high particle multiplicity environment. (orig.)

  8. 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+.

  9. 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

  10. 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

  11. Results of flutter test OS6 obtained using the 0.14-scale wing/elevon model (54-0) in the NASA LaRC 16-foot transonic dynamics wind tunnel

    Science.gov (United States)

    Berthold, C. L.

    1977-01-01

    A 0.14-scale dynamically scaled model of the space shuttle orbiter wing was tested in the Langley Research Center 16-Foot Transonic Dynamics Wind Tunnel to determine flutter, buffet, and elevon buzz boundaries. Mach numbers between 0.3 and 1.1 were investigated. Rockwell shuttle model 54-0 was utilized for this investigation. A description of the test procedure, hardware, and results of this test is presented.

  12. Results of flutter test OS7 obtained using the 0.14-scale space shuttle orbiter fin/rudder model number 55-0 in the NASA LaRC 16-foot transonic dynamics wind tunnel

    Science.gov (United States)

    Berthold, C. L.

    1977-01-01

    A 0.14-scale dynamically scaled model of the space shuttle orbiter vertical tail was tested in a 16-foot transonic dynamic wind tunnel to determine flutter, buffet, and rudder buzz boundaries. Mach numbers between .5 and 1.11 were investigated. Rockwell shuttle model 55-0 was used for this investigation. A description of the test procedure, hardware, and results of this test is presented.

  13. ECE diagnostics for RTO/RC ITER

    International Nuclear Information System (INIS)

    Vayakis, G.; Bartlett, D.V.; Costley, A.E.

    2001-01-01

    This paper presents the current status of the Electron Cyclotron Emission (ECE) diagnostic on the Reduced Technical Objectives/Reduced Cost International Thermonuclear Experimental Reactor (RTO/RC ITER). It discusses the implications of the new machine design on the measurement requirements, the ability of the diagnostic technique to meet these, and the changes in the implementation imposed by the new layout. Finally, it outlines the physics studies, design and R and D work required prior to the detailed design and construction of the diagnostic. Key results are: (i) that the localisation of the measurement is similar to that in ITER-FDR (40-100 mm in X-mode, 60-200 mm in O-mode for the reference scenario), so that the relative spatial resolution degrades in this, smaller, machine, and (ii) the expected effect of transport barriers on the temperature profile in the high temperature region will be poorly resolved, because the effect of the temperature gradient on the outboard side is to degrade the resolution to (∼250 mm in X-mode, ∼350 mm in O-mode). Nevertheless ECE will be able to make a unique and useful contribution to the RTO/RC ITER measurement set

  14. Dynamics of complete and incomplete fusion in heavy ion collisions

    Science.gov (United States)

    Bao, Xiao Jun; Guo, Shu Qing; Zhang, Hong Fei; Li, Jun Qing

    2018-02-01

    In order to study the influence of the strong Coulomb and nuclear interactions on the dynamics of complete and incomplete fusion, we construct a new four-variable master equation (ME) so that the deformations as well as the nucleon transfer are viewed as consistently governed by MEs in the potential energy surface of the system. The calculated yields of quasifission fragments and evaporation residue cross section (ERCS) are in agreement with experimental data of hot fusion reactions. Comparing cross sections by theoretical results and experimental data, we find the improved dinuclear sysytem model also describes the transfer cross sections reasonably. The production cross sections of new neutron-rich isotopes are estimated by the multinucleon transfer reactions.

  15. 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...

  16. Dynamics of photoionization of hydrogenlike ions in Debye plasmas

    International Nuclear Information System (INIS)

    Qi, Y. Y.; Wang, J. G.; Janev, R. K.

    2009-01-01

    Photoionization processes for the ground state and n≤3 excited states of hydrogenlike ions embedded in a weakly coupled plasma are investigated in the entire energy range of a nonrelativistic regime. The plasma screening of the Coulomb interaction between charged particles is described by the Debye-Hueckel model. The energy levels and wave functions for both the bound and continuum states are calculated by solving the Schroedinger equation numerically by the symplectic integrator. The screening of Coulomb interactions reduces the number of bound electron states, decreases their binding energies, broadens the radial distribution of electron wave functions of these states, and changes significantly the phases and the amplitudes of continuum wave functions. These changes strongly affect the dipole matrix elements between the bound and continuum states and, hence, the photoionization cross sections. The most significant effects of the screened Coulomb interactions on the energy behavior of photoionization cross sections are manifested in its low-energy behavior (Wigner threshold law), the appearance of multiple shape and virtual-state resonances when the energy levels of upper bound states enter the continuum after certain critical strength of the screening, and in the (slight) reduction of the cross section at high photon energies. All these features of the photoionization cross section are related to the short-range character of the Debye-Hueckel potential. The effects of the potential screening on the Combet-Farnoux and Cooper minima in the photoionization cross section are also investigated. Comparison of calculated photoionization cross sections with the results of other authors, when available, is made.

  17. Structural Test and Analysis of RC Slab After Fire Loading

    International Nuclear Information System (INIS)

    Chung, Chulhun; Im, Cho Rong; Park, Jaegyun

    2013-01-01

    In the present study the behavior of fire and the residual strength of fire-ignited RC slabs are investigated by experimental tests and numerical simulations. The fire tests of RC slabs were carried out in a furnace using the ISO 834 standard fire. The load capacity of the cooled RC slabs that were not loaded during the fire tests was evaluated by additional 3 point bending tests. The influence of the proportion of PP (polypropylene) fibers in the RC slabs on the structural behavior of the RC slabs after the fire loading was investigated. The results of the fire tests showed that the maximum temperature of concrete with PP fiber was lower than that of concrete without PP fiber. As the concrete was heated, the ultimate compressive strength decreased and the ultimate strain increased. The load-deflection relations of RC slabs after fire loading were compared by using existing stress-strain-temperature models. The comparison between the numerical analysis and the experimental tests showed that some numerical analyses were reliable and therefore, can be applied to evaluate the ultimate load of RC slabs after fire loading. The ultimate load capacity after cooling down the RC slabs without PP fiber showed a considerable reduction from that of the RC slabs with PP fiber

  18. Structural Test and Analysis of RC Slab After Fire Loading

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Chulhun; Im, Cho Rong; Park, Jaegyun [Dankook Univ., Yongin (Korea, Republic of)

    2013-04-15

    In the present study the behavior of fire and the residual strength of fire-ignited RC slabs are investigated by experimental tests and numerical simulations. The fire tests of RC slabs were carried out in a furnace using the ISO 834 standard fire. The load capacity of the cooled RC slabs that were not loaded during the fire tests was evaluated by additional 3 point bending tests. The influence of the proportion of PP (polypropylene) fibers in the RC slabs on the structural behavior of the RC slabs after the fire loading was investigated. The results of the fire tests showed that the maximum temperature of concrete with PP fiber was lower than that of concrete without PP fiber. As the concrete was heated, the ultimate compressive strength decreased and the ultimate strain increased. The load-deflection relations of RC slabs after fire loading were compared by using existing stress-strain-temperature models. The comparison between the numerical analysis and the experimental tests showed that some numerical analyses were reliable and therefore, can be applied to evaluate the ultimate load of RC slabs after fire loading. The ultimate load capacity after cooling down the RC slabs without PP fiber showed a considerable reduction from that of the RC slabs with PP fiber.

  19. 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.

  20. 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

  1. 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.

  2. 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

  3. Study of the dynamical potential barriers in heavy ion collisions

    International Nuclear Information System (INIS)

    Zhu, Long; Su, Jun; Xie, Wen-Jie; Zhang, Feng-Shou

    2013-01-01

    The nucleus–nucleus interaction potentials for the fusion reactions 16 O + 208 Pb, 64 Ni + 64 Ni, 58 Ni + 58 Ni and 16 O + 154 Sm are extracted from the improved isospin-dependent quantum molecular dynamics model. The shell correction effects are discussed. The negative shell correction energies lower potential barriers of a certain reaction. The incident energy dependence of the potential barrier is investigated for each system. A complex phenomenon of energy dependence is observed. It is also found that incident energy dependence of the barrier radius and barrier height shows opposite behaviors. The Coulomb potential shows weak energy dependence when distance of two colliding nuclei is lower than the touching distance. The isospin effects of the potential barrier are investigated. The orientation effects of the potential barrier is also discussed for the system 16 O + 154 Sm. The fusion cross sections that correspond to the equatorial orientation of 154 Sm are very low in sub-barrier region because of the high fusion barriers and the shallow potential pockets

  4. 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.

  5. Algorithmic trends in computational fluid dynamics; The Institute for Computer Applications in Science and Engineering (ICASE)/LaRC Workshop, NASA Langley Research Center, Hampton, VA, US, Sep. 15-17, 1991

    Science.gov (United States)

    Hussaini, M. Y. (Editor); Kumar, A. (Editor); Salas, M. D. (Editor)

    1993-01-01

    The purpose here is to assess the state of the art in the areas of numerical analysis that are particularly relevant to computational fluid dynamics (CFD), to identify promising new developments in various areas of numerical analysis that will impact CFD, and to establish a long-term perspective focusing on opportunities and needs. Overviews are given of discretization schemes, computational fluid dynamics, algorithmic trends in CFD for aerospace flow field calculations, simulation of compressible viscous flow, and massively parallel computation. Also discussed are accerelation methods, spectral and high-order methods, multi-resolution and subcell resolution schemes, and inherently multidimensional schemes.

  6. Study of ion flow dynamics in an inertial electrostatic confinement device through sequential grid construction

    International Nuclear Information System (INIS)

    Murali, S. Krupakar; Kulcinski, G. L.; Santarius, J. F.

    2008-01-01

    Experiments were performed to understand the dynamics of the ion flow in an inertial electrostatic confinement (IEC) device. This was done by monitoring the fusion rate as the symmetry of the grid was increased starting with a single loop all the way until the entire grid is constructed. The fusion rate was observed to increase with grid symmetry and eventually saturate. A single loop grid was observed to generate a cylindrical (∼line) fusion source. The ion flow distribution was measured by introducing fine wires across a single loop of the grid in the form of a chord of a circle (chord wires). This study revealed that with increased symmetry of the cathode grid wires the convergence of the ions improves. The chord wires provided electrons for ionization even at low pressures (∼6.67 mPa) and helped sustain the plasma. The impinging ions heat these wires locally and the temperature of the wires was measured using an infrared thermometer that was used to understand the ion flow distribution across the cathode grid. The presence of the grid wires seems to affect the fusion rate more drastically than previously thought (was assumed to be uniform around the central grid). Most of the fusion reactions were observed to occur in the ion microchannels that form in gaps between the cathode wires. This work helps understand the fusion source regimes and calibrate the IEC device.

  7. 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.

  8. 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.

  9. Direct displacement-based design of special composite RC shear walls with steel boundary elements

    Directory of Open Access Journals (Sweden)

    H. Kazemi

    2016-06-01

    Full Text Available Special composite RC shear wall (CRCSW with steel boundary elements is a kind of lateral force resisting structural system which is used in earthquake-prone regions. Due to their high ductility and energy dissipation, CRCSWs have been widely used in recent years by structural engineers. However, there are few studies in the literature on the seismic design of such walls. Although there are many studies in the literature on the Direct Displacement-Based Design (DDBD of RC structures, however, no study can be found on DDBD of CRCSWs. Therefore, the aim of present study is to evaluate the ability of DDBD method for designing CRCSWs. In this study, four special composite reinforced concrete shear walls with steel boundary elements of 4, 8, 12 and 16 story numbers were designed using the DDBD method for target drift of 2%. The seismic behavior of the four CRCSWs was studied using nonlinear time-history dynamic analyses. Dynamic analyses were performed for the mentioned walls using 7 selected earthquake records. The seismic design parameters considered in this study includes: lateral displacement profile, inelastic dynamic inter-story drift demand, failure pattern and the composite RC shear walls overstrength factor. For each shear wall, the overall overstrength factor was calculated by dividing the ultimate dynamic base shear demand (Vu by the base shear demand (Vd as per the Direct Displacement Based-Design (DDBD method. The results show that the DDBD method can be used to design CRCSWs safely in seismic regions with predicted behavior.

  10. 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.

  11. 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)

  12. 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...

  13. 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

  14. 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...

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. 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.)

  2. The Transition to Collisionless Ion-temperature-gradient-driven Plasma Turbulence: A Dynamical Systems Approach

    International Nuclear Information System (INIS)

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

    2004-01-01

    The transition to collisionless ion-temperature-gradient-driven plasma turbulence is considered by applying dynamical systems theory to a model with ten degrees of freedom. 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 the exact value of that shift in terms of physical parameters. For insight into fundamental physical mechanisms, the method provides a viable alternative to large simulations

  3. Molecular dynamics study of homo-oligomeric ion channels: Structures of the surrounding lipids and dynamics of water movement

    Directory of Open Access Journals (Sweden)

    Thuy Hien Nguyen

    2018-03-01

    Full Text Available Molecular dynamics simulations were used to study the structural perturbations of lipids surrounding transmembrane ion channel forming helices/helical bundles and the movement of water within the pores of the ion-channels/bundles. Specifically, helical monomers to hexameric helical bundles embedded in palmitoyl-oleoyl-phosphatidyl-choline (POPC lipid bilayer were studied. Two amphipathic α-helices with the sequence Ac-(LSLLLSL3-NH2 (LS2, and Ac-(LSSLLSL3-NH2 (LS3, which are known to form ion channels, were used. To investigate the surrounding lipid environment, we examined the hydrophobic mismatch, acyl chain order parameter profiles, lipid head-to-tail vector projection on the membrane surface, and the lipid headgroup vector projection. We find that the lipid structure is perturbed within approximately two lipid solvation shells from the protein bundle for each system (~15.0 Å. Beyond two lipid “solvation” shells bulk lipid bilayer properties were observed in all systems. To understand water flow, we enumerated each time a water molecule enters or exited the channel, which allowed us to calculate the number of water crossing events and their rates, and the residence time of water in the channel. We correlate the rate of water crossing with the structural properties of these ion channels and find that the movements of water are predominantly governed by the packing and pore diameter, rather than the topology of each peptide or the pore (hydrophobic or hydrophilic. We show that the crossing events of water fit quantitatively to a stochastic process and that water molecules are traveling diffusively through the pores. These lipid and water findings can be used for understanding the environment within and around ion channels. Furthermore, these findings can benefit various research areas such as rational design of novel therapeutics, in which the drug interacts with membranes and transmembrane proteins to enhance the efficacy or reduce off

  4. 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.

  5. 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.

  6. Dynamic SIMS utilizing SF{sub 5}{sup +} polyatomic primary ion beams for drug delivery applications

    Energy Technology Data Exchange (ETDEWEB)

    Mahoney, Christine M.; Roberson, Sonya; Gillen, Greg

    2004-06-15

    The behavior of various biodegradable polymer films (e.g. polylactic acid, polyglycolic acid and polycaprolactone) as well as some model drugs (theophylline and 4-acetamidophenol) under dynamic SF{sub 5}{sup +} primary ion bombardment is explored. A series of polylactic acid films containing varying concentrations of 4-acetamidophenol are also analyzed under similar conditions. The resultant molecular depth profiles obtained from these polymer films doped with drug show very little degradation in molecular signal as a function of SF{sub 5}{sup +} primary ion dose, and it was found that the molecular ion signals of both polymer and drug remained constant for ion doses up to {approx}5x10{sup 15} ions/cm{sup 2}. In addition, the polymer film/Si interface was well defined which may imply that sputter-induced topography formation was not a significant limitation. These results suggest that the structure of the biodegradable polymers studied here which all have the common main chain structural unit, R-CO-O-R, allows for a greater ability to depth profile due to ease of bond cleavage. Most importantly, however, these results indicate that in these particular polymer systems, the distribution of the drug as a function of depth can be monitored.

  7. 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.

  8. 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)

  9. 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.

  10. 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

  11. 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

  12. Vapreotide: BMY 41606, RC 160, Sanvar.

    Science.gov (United States)

    2003-01-01

    Vapreotide [Octastatin, Sanvar, RC 160, BMY 41606] is a somatostatin analogue developed at Tulane University School of Medicine, New Orleans, USA, which holds patent rights for vapreotide. Vapreotide provides a much higher metabolic stability than its parent compound. Vapreotide was licensed to Debiopharm for development in Europe. Vapreotide is usually administered SC although a slow-release IM formulation is also available. Other sustained-release formulations are under development. H3 Pharma plans to sign agreements for all indications in the core markets of North America, Europe and in non-core geographic regions during 2003. H3 Pharma will also seek to obtain registration and early market entry in non-core countries with help from partners. Sanvar Immediate Release (IR) has been submitted for approval within the European Union for the treatment of acute oesophageal variceal bleeding (EVB). Sanvar IR has been awarded orphan drug status in the US for EVB. In July 2003, H3 Pharma received written confirmation from the US FDA that the dossier for Sanvar is fileable for registration in the United States for the treatment of esophageal variceal bleeding (EVB). The Sanvar IR (immediate-release) formulation is expected to enter the US market by late 2004. H3 Pharma expects to file for Latin American registration for this indication in the second half of 2003, with registrations in other regions to follow. Sanvar SR has been submitted for Orphan Drug designation.

  13. Seismic Performance of Precast Polystyrene RC Walls

    Directory of Open Access Journals (Sweden)

    Wibowo Ari

    2017-01-01

    Full Text Available Precast concrete structure such as precast wall is a concept that is growing rapidly these days. However, the earthquake resistance is believed to be one of its drawbacks. Additionally, the large weight of solid elements also increase the building weight significantly which consequently increase the earthquake base shear force as well. Therefore, investigation on the seismic performance of precast concrete wall has been carried out. Three RC wall specimens using wire mesh reinforcement and EPS (Extended Polystyrene System panel have been tested. This wall was designed as a structural wall that was capable in sustaining lateral loads (in-plane yet were lightweight to reduce the total weight of the building. Parameter observed was the ratio of height to width (aspect ratio of wall of 1.0, 1.5 and 2.0 respectively with the aim to study the behaviour of brittle to ductile transition of the wall. Incremental static load tests were conducted until reaching peak load and then followed by displacement control until failure. Several data were measured at every stage of loading comprising lateral load-displacement behaviour, ultimate strength and collapse mechanism. The outcomes showed that precast concrete walls with a steel wire and EPS panel filler provided considerably good resistance against lateral load.

  14. 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.

  15. 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.

  16. 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.

  17. Seismic assessment of existing RC buildings under alternative ground motion ensembles compatible to EC8 and NTC 2008

    NARCIS (Netherlands)

    Tanganelli, Marco; Viti, Stefania; Mariani, V.; Pianigiani, Maria

    2017-01-01

    This work investigates the effects of the choice of different ensembles of ground motions on the seismic assessment of existing RC buildings through nonlinear dynamic analysis. Nowadays indeed, all the main International Seismic Codes provide a soil classification which is based on the shear wave

  18. Molecular dynamics simulations of the role of electronic losses in damage creation of ion irradiated Tungsten

    International Nuclear Information System (INIS)

    Maya, P.N.; Deshpande, S.P

    2014-01-01

    Damage creation due to the irradiation of 14 MeV fusion neutrons and the subsequent mechanical failure and alteration of the fuel retention properties of tungsten plasma-facing materials is one of the major concerns of the fusion reactors. In addition to nuclear reactions and the subsequent transmutations, the energetic neutron impars its kinetic energy either partly or completely to a lattice tungsten atom thereby creating a primary knock-on atom (PKA) which, is considered as the onset of damage creation in the lattice. The PKA continues to undergo collisions with the lattice atoms which eventually leads to a collision cascade. In order to understand the collision process, one often simulates such systems using surrogate ions, such as energetic W ions itself, in particle accelerators and due to the experimental constraints (such as the stability of the beam) one often has to opt for high energetic ion beams (∼ 30 MeV) which surpasses the PKA energies created by neutron (∼100s of KeV) in W. Hence it is important to distinguish how the very high energetic tungsten atoms interact with the lattice atoms in comparison with the low energy PKA created by the neutron. One of the key difference is that at higher energies the electronic losses become important which decides the collision dynamics. In this presentation the effect of electronic losses in the damage creation using molecular dynamics simulations have been discussed

  19. The Second ICASE/LaRC Industry Roundtable: Session Proceedings

    Science.gov (United States)

    Girimaji, Sharath

    1997-01-01

    The second ICASE/LaRC Industry Roundtable was held October 7-9, 1996 at the Williamsburg Hospitality House, Williamsburg, Virginia. Like the first roundtable in 1994, this meeting had two objectives: (1) to expose ICASE and LaRC scientists to industrial research agendas; and (2) to acquaint industry with the capabilities and technology available at ICASE, LaRC and academic partners of ICASE. Nineteen sessions were held in three parallel tracks. Of the 170 participants, over one third were affiliated with various industries. Proceedings from the different sessions are summarized in this report.

  20. Evaluation of Structural Robustness against Column Loss: Methodology and Application to RC Frame Buildings.

    Science.gov (United States)

    Bao, Yihai; Main, Joseph A; Noh, Sam-Young

    2017-08-01

    A computational methodology is presented for evaluating structural robustness against column loss. The methodology is illustrated through application to reinforced concrete (RC) frame buildings, using a reduced-order modeling approach for three-dimensional RC framing systems that includes the floor slabs. Comparisons with high-fidelity finite-element model results are presented to verify the approach. Pushdown analyses of prototype buildings under column loss scenarios are performed using the reduced-order modeling approach, and an energy-based procedure is employed to account for the dynamic effects associated with sudden column loss. Results obtained using the energy-based approach are found to be in good agreement with results from direct dynamic analysis of sudden column loss. A metric for structural robustness is proposed, calculated by normalizing the ultimate capacities of the structural system under sudden column loss by the applicable service-level gravity loading and by evaluating the minimum value of this normalized ultimate capacity over all column removal scenarios. The procedure is applied to two prototype 10-story RC buildings, one employing intermediate moment frames (IMFs) and the other employing special moment frames (SMFs). The SMF building, with its more stringent seismic design and detailing, is found to have greater robustness.

  1. 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.

  2. 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.

  3. Development of a hysteresis model for R/C columns subjected to bi-axial lateral loading

    International Nuclear Information System (INIS)

    Dutta, Sekhar Chandra; Chowdhury, Rajib; Roy, Raghupati; Reddy, G. Rami

    2003-01-01

    Recent investigations on dynamic response of reinforced concrete (R/C) structures have confirmed that the R/C structural members undergo much more inelastic deformation in each of the two mutually perpendicular directions under bi-directional seismic loading, than that observed only under unidirectional ground motion. To predict the seismic response of R/C structure with fair accuracy demands, a faithful model that can incorporate the effect of biaxial bending interaction in column. This model should not have high computational demand but should adequately reflect the stiffness degrading and strength deterioration characteristics of R/C structural members. Present study is an effort to develop such a bi-directional hysteresis model accounting the effect of interaction between lateral loadings in two orthogonal directions. The development of the present model is based on the yield surface approach and it can incorporate both strength and stiffness degradation characteristics, which is unavoidable in R/C structures during cyclic loading. The performance of the proposed model/ is demonstrated through the prediction of available experimental results of a reinforced concrete column, subjected to biaxial loading. (author)

  4. Dynamic polarization by coulomb excitation in the closed formalism for heavy ion scattering

    International Nuclear Information System (INIS)

    Frahn, W.E.; Hill, T.F.

    1978-01-01

    We present a closed-form treatment of the effects of dynamic polarization by Coulomb excitation on the elastic scattering of deformed heavy ions. We assume that this interaction can be represented by an absorptive polarization potential. The relatively long range of this potential entails a relatively slow variation of the associated reflection function in l-space. This feature leads to a simple generalization of the closed formula derived previously for the elastic scattering amplitude of spherical heavy nuclei. We use both the polarization potential of Love et al. and the recent improved potential of Baltz et al. to derive explicit expressions for the associated reflection functions in a Coulomb-distorted eikonal approximation. As an example we analyze the elastic scattering of 90-MeV 18 O ions by 184 W and show that both results give a quantitative description of the data. (orig.) [de

  5. 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.

  6. 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)

  7. Spin dynamics in relativistic ionization with highly charged ions in super-strong laser fields

    International Nuclear Information System (INIS)

    Klaiber, Michael; Yakaboylu, Enderalp; Bauke, Heiko; Hatsagortsyan, Karen Z; Müller, Carsten; Paulus, Gerhard G

    2014-01-01

    Spin dynamics and induced spin effects in above-threshold ionization of hydrogenlike highly charged ions in super-strong laser fields are investigated. Spin-resolved ionization rates in the tunnelling regime are calculated by employing two versions of a relativistic Coulomb-corrected strong-field approximation (SFA). An intuitive simpleman model is developed which explains the derived scaling laws for spin flip and spin asymmetry effects. The intuitive model as well as our ab initio numerical simulations support the analytical results for the spin effects obtained in the dressed SFA where the impact of the laser field on the electron spin evolution in the bound state is taken into account. In contrast, the standard SFA is shown to fail in reproducing spin effects in ionization even at a qualitative level. The anticipated spin-effects are expected to be measurable with modern laser techniques combined with an ion storage facility. (paper)

  8. Interaction of the model alkyltrimethylammonium ions with alkali halide salts: an explicit water molecular dynamics study

    Directory of Open Access Journals (Sweden)

    M. Druchok

    2013-01-01

    Full Text Available We present an explicit water molecular dynamics simulation of dilute solutions of model alkyltrimethylammonium surfactant ions (number of methylene groups in the tail is 3, 5, 8, 10, and 12 in mixture with NaF, NaCl, NaBr, and NaI salts, respectively. The SPC/E model is used to describe water molecules. Results of the simulation at 298 K are presented in form of the radial distribution functions between nitrogen and carbon atoms of CH2 groups on the alkyltrimethylammonium ion, and the counterion species in the solution. The running coordination numbers between carbon atoms of surfactants and counterions are also calculated. We show that I- counterion exhibits the highest, and F- the lowest affinity to "bind" to the model surfactants. The results are discussed in view of the available experimental and simulation data for this and similar solutions.

  9. Velocity dependence of enhanced dynamic hyperfine field for Pd ions swiftly recoiling in magnetized Fe

    International Nuclear Information System (INIS)

    Stuchbery, A.E.; Ryan, G.C.; Bolotin, H.H.; Sie, S.H.

    1980-01-01

    The velocity-dependence of the magnitude of the enchanced dynamic hyperfine magnetic field (EDF) manifest at nuclei of 108 Pd ions swiftly recoiling through thin magnetized Fe has been investigated at ion velocities higher than have heretofore been examined for the heavier nuclides (i.e., at initial recoil velocities (v/Zv 0 )=0.090 and 0.160, v 0 =c/137). These results for 108 Pd, when taken in conjunction with those of prior similar measurements for 106 Pd at lower velocities, and fitted to a velocity dependence for the EDF, give for the Pd isotopes over the extended velocity range 1.74 0 )<=7.02, p=0.41+-0.15; a result incompatible with previous attributions of a linear velocity dependence for the field

  10. 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

  11. 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

  12. Performance of RC columns with partial length corrosion

    International Nuclear Information System (INIS)

    Wang Xiaohui; Liang Fayun

    2008-01-01

    Experimental and analytical studies on the load capacity of reinforced concrete (RC) columns with partial length corrosion are presented, where only a fraction of the column length was corroded. Twelve simply supported columns were eccentrically loaded. The primary variables were partial length corrosion in tensile or compressive zone and the corrosion level within this length. The failure of the corroded column occurs in the partial length, mainly developed from or located nearby or merged with the longitudinal corrosion cracks. For RC column with large eccentricity, load capacity of the column is mainly influenced by the partial length corrosion in tensile zone; while for RC column with small eccentricity, load capacity of the column greatly decreases due to the partial length corrosion in compressive zone. The destruction of the longitudinally mechanical integrality of the column in the partial length leads to this great reduction of the load capacity of the RC column

  13. 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.

  14. 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

  15. Dynamically induced spin-dependent interaction in the elastic scattering of heavy-ions

    International Nuclear Information System (INIS)

    Imanishi, B.; Oertzen, W. von.

    1982-02-01

    Dynamical polarization effect in heavy-ion elastic scattering is investigated in the framework of the coupled-reaction-channel theory. By using the adiabatic approximation at low incident energies, this effect is expressed as a spin-orbit (L vector.S vector) interaction with a L vector and S vector independent radial function. The strength of the (L vector.S vector) interaction calculated for the 12 C + 13 C system is in the same order of magnitude as deduced from experiments and is about two orders of magnitude larger than that obtained from the folding model calculation. (author)

  16. 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

  17. The influence of temperature dynamics and dynamic finite ion Larmor radius effects on seeded high amplitude plasma blobs

    DEFF Research Database (Denmark)

    Held, Magnus; Wiesenberger, M.; Madsen, Jens

    2016-01-01

    Thermal effects on the perpendicular convection of seeded pressure blobs in the scrape-off layer of magnetised fusion plasmas are investigated. Our numerical study is based on a four field full-F gyrofluid model, which entails the consistent description of high fluctuation amplitudes and dynamic...... finite Larmor radius effects. We find that the maximal radial blob velocity increases with the square root of the initial pressure perturbation and that a finite Larmor radius contributes to highly compact blob structures that propagate in the poloidal direction. An extensive parameter study reveals...... that a smooth transition to this compact blob regime occurs when the finite Larmor radius effect strength, defined by the ratio of the magnetic field aligned component of the ion diamagnetic to the E × B vorticity, exceeds unity. The maximal radial blob velocities agree excellently with the inertial velocity...

  18. 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

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

    International Nuclear Information System (INIS)

    Hetzheim, Henrik

    2009-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Hetzheim, Henrik

    2009-01-14

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

  1. Modelling the many-body dynamics of heavy ion collisions. Present status and future perspective

    International Nuclear Information System (INIS)

    Hartnack, Ch.; Puri, R.K.; Aichelin, J.; Konopka, J.; Bass, S.A.; Stoecker, H.; Greiner, W.

    1996-01-01

    Basic problems of the semiclassical microscopic modelling of strongly interacting systems are discussed within the framework of Quantum Molecular Dynamics (QMD). It is shown that the same predictions can be obtained with several - numerically completely different and independently written -programs as far as the same model parameters are employed and the same basic approximations are made. Some of the physical results, however, depend also on rather technical parameters like the preparation of the initial configuration in phase space. This crucial problem is connected with the description of the ground state of single nuclei, which differs among the various approaches. An outlook to an improved molecular dynamics scheme for heavy ion collisions is given. (author)

  2. Modelling the many-body dynamics of heavy ion collisions. Present status and future perspective

    Energy Technology Data Exchange (ETDEWEB)

    Hartnack, Ch.; Puri, R.K.; Aichelin, J. [Centre National de la Recherche Scientifique, 44 - Nantes (France). Lab. de Physique Subatomique et des Technologies Associees; Konopka, J.; Bass, S.A.; Stoecker, H.; Greiner, W. [Johann Wolfgang Goethe Univ., Frankfurt am Main (Germany). Inst. fuer Theoretische Physik

    1996-12-31

    Basic problems of the semiclassical microscopic modelling of strongly interacting systems are discussed within the framework of Quantum Molecular Dynamics (QMD). It is shown that the same predictions can be obtained with several - numerically completely different and independently written -programs as far as the same model parameters are employed and the same basic approximations are made. Some of the physical results, however, depend also on rather technical parameters like the preparation of the initial configuration in phase space. This crucial problem is connected with the description of the ground state of single nuclei, which differs among the various approaches. An outlook to an improved molecular dynamics scheme for heavy ion collisions is given. (author). 86 refs.

  3. Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Chen Song

    Full Text Available The macroscopic Nernst-Planck (NP theory has often been used for predicting ion channel currents in recent years, but the validity of this theory at the microscopic scale has not been tested. In this study we systematically tested the ability of the NP theory to accurately predict channel currents by combining and comparing the results with those of Brownian dynamics (BD simulations. To thoroughly test the theory in a range of situations, calculations were made in a series of simplified cylindrical channels with radii ranging from 3 to 15 Å, in a more complex 'catenary' channel, and in a realistic model of the mechanosensitive channel MscS. The extensive tests indicate that the NP equation is applicable in narrow ion channels provided that accurate concentrations and potentials can be input as the currents obtained from the combination of BD and NP match well with those obtained directly from BD simulations, although some discrepancies are seen when the ion concentrations are not radially uniform. This finding opens a door to utilising the results of microscopic simulations in continuum theory, something that is likely to be useful in the investigation of a range of biophysical and nano-scale applications and should stimulate further studies in this direction.

  4. Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations.

    Science.gov (United States)

    Song, Chen; Corry, Ben

    2011-01-01

    The macroscopic Nernst-Planck (NP) theory has often been used for predicting ion channel currents in recent years, but the validity of this theory at the microscopic scale has not been tested. In this study we systematically tested the ability of the NP theory to accurately predict channel currents by combining and comparing the results with those of Brownian dynamics (BD) simulations. To thoroughly test the theory in a range of situations, calculations were made in a series of simplified cylindrical channels with radii ranging from 3 to 15 Å, in a more complex 'catenary' channel, and in a realistic model of the mechanosensitive channel MscS. The extensive tests indicate that the NP equation is applicable in narrow ion channels provided that accurate concentrations and potentials can be input as the currents obtained from the combination of BD and NP match well with those obtained directly from BD simulations, although some discrepancies are seen when the ion concentrations are not radially uniform. This finding opens a door to utilising the results of microscopic simulations in continuum theory, something that is likely to be useful in the investigation of a range of biophysical and nano-scale applications and should stimulate further studies in this direction.

  5. Energetics and dynamics of the neutralization of clustered ions in ammonia and water vapour

    International Nuclear Information System (INIS)

    Sennhauser, E.S.; Armstrong, D.A.

    1978-01-01

    The energetics and dynamics of neutralization reactions of clustered ions in ammonia and water vapour have been analysed. Neutralization rate coefficients were calculated for the ions in ammonia and for H + .(H 2 O)sub(n) combining with various clustered anions in water vapour up to densities of 4 x 10 19 molecule cm -3 at 390 K. In the case of ammonia, calculations were also performed at 298 K. For all systems, fractional contributions of the neutralization coefficients for specific cluster sizes to the overall coefficient αsub(eff) were evaluated. The computed value of αsub(eff) for NH 3 was in reasonable agreement with experimental data in the [NH 3 ] range 0.3 to 4 x 10 19 molecule cm -3 , and general trends stemming from the effects of increasing ion mass were pointed out. Calculations of energies of individual cluster sizes indicate possible neutralization reaction mechanisms. With some exception, proton transfer is the only possible path and no H atoms should be formed. This is in general agreement with literature results for water vapour at approximately 390 K and with [H 2 O] >= 2 x 10 x 10 19 molecule cm -3 . (author)

  6. Role of ion-pair states in the predissociation dynamics of Rydberg states of molecular iodine.

    Science.gov (United States)

    von Vangerow, J; Bogomolov, A S; Dozmorov, N V; Schomas, D; Stienkemeier, F; Baklanov, A V; Mudrich, M

    2016-07-28

    Using femtosecond pump-probe ion imaging spectroscopy, we establish the key role of I(+) + I(-) ion-pair (IP) states in the predissociation dynamics of molecular iodine I2 excited to Rydberg states. Two-photon excitation of Rydberg states lying above the lowest IP state dissociation threshold (1st tier) is found to be followed by direct parallel transitions into IP states of the 1st tier asymptotically correlating to a pair of I ions in their lowest states I(+)((3)P2) + I(-)((1)S0), of the 2nd tier correlating to I(+)((3)P0) + I(-)((1)S0), and of the 3rd tier correlating to I(+)((1)D2) + I(-)((1)S0). Predissociation via the 1st tier proceeds presumably with a delay of 1.6-1.7 ps which is close to the vibrational period in the 3rd tier state (3rd tier-mediated process). The 2nd tier IP state is concluded to be the main precursor for predissociation via lower lying Rydberg states proceeding with a characteristic time of 7-8 ps and giving rise to Rydberg atoms I(5s(2)5p(4)6s(1)). The channel generating I((2)P3/2) + I((2)P1/2) atoms with total kinetic energy corresponding to one-photon excitation is found to proceed via a pump - dump mechanism with dramatic change of angular anisotropy of this channel as compared with earlier nanosecond experiments.

  7. 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

  8. 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.

  9. Chloride ion transport and fate in oilfield wastewater reuse by interval dynamic multimedia aquivalence model.

    Science.gov (United States)

    Hu, Y; Zhang, C; Wang, D Z; Wen, J Y; Chen, M H; Li, Y

    2013-01-01

    A surface flow constructed wetland was built up to dispose of oilfield wastewater with a high level of inorganic salt ions. Chlorine ion (Cl(-)) was selected as an indicator of soil secondary salinization, and an interval dynamic multimedia aquivalence (IDMA) model was developed to investigate the dynamic multimedia environmental (air, water, soil, flora, and groundwater) effects of Cl(-) in the wastewater irrigation process between 2002 and 2020. The modeled Cl(-) concentrations were in good agreement with the measured ones, as indicated by the interval average logarithmic residual errors (IALREs) being generally lower than 0.5 logarithmic units. The model results showed that the temporal trends of Cl(-) concentrations in the multimedia environments represented a relatively steady state. More than 97.00% of the mass exchange was finished between soil and groundwater compartments, and Cl(-) finally outputted the environmental system by the pathways of advection outflows in the water (71.03%) and groundwater (24.02%). Soil (59.17%) was the dominant sink of Cl(-). It was revealed that the high level of Cl(-) in oilfield wastewater was well treated by the constructed wetland, and there was not a significant environmental effect of soil secondary salinization in the oilfield wastewater reused for the constructed wetland irrigation.

  10. 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.

  11. Assessment of Seismic Vulnerability of Steel and RC Moment Buildings Using HAZUS and Statistical Methodologies

    Directory of Open Access Journals (Sweden)

    Iman Mansouri

    2017-01-01

    Full Text Available Designer engineers have always the serious challenge regarding the choice of the kind of structures to use in the areas with significant seismic activities. Development of fragility curve provides an opportunity for designers to select a structure that will have the least fragility. This paper presents an investigation into the seismic vulnerability of both steel and reinforced concrete (RC moment frames using fragility curves obtained by HAZUS and statistical methodologies. Fragility curves are employed for several probability parameters. Fragility curves are used to assess several probability parameters. Furthermore, it examines whether the probability of the exceedence of the damage limit state is reduced as expected. Nonlinear dynamic analyses of five-, eight-, and twelve-story frames are carried out using Perform 3D. The definition of damage states is based on the descriptions provided by HAZUS, which gives the limit states and the associated interstory drift limits for structures. The fragility curves show that the HAZUS procedure reduces probability of damage, and this reduction is higher for RC frames. Generally, the RC frames have higher fragility compared to steel frames.

  12. 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.

  13. Ion pair and solvation dynamics of [Bmim][BF4 ] + water system.

    Science.gov (United States)

    Cascão, João; Silva, Wagner; Ferreira, Ana S D; Cabrita, Eurico J

    2018-02-01

    In this work, 1-butyl-3-methylimidazolium tetrafluoroborate/water mixtures were analysed over the whole water composition (x w ) in order to study the rotational and translational behaviour of the ions. We employed a multinuclear NMR approach to determine anion/cation/water diffusion coefficients and longitudinal relaxation rates at different water content. In neat ionic liquids (IL), the cation diffuses faster than the anion, and at low x w , anions and cations share almost the same diffusion coefficient, but above a critical water concentration, the anion begins to diffuse faster than the cation. We identified this composition as approximately 10% x w where the ions share the same diffusion coefficient. We found that the water at this composition seems to have a much more dramatic effect in the rotational diffusion of the anion that decreases substantially and approaches that of the anion in the diluted IL. Translational and rotational dynamics of the ions suggest that water is first incorporated in pockets in the nanostructure of the IL allowing the ions to maintain most of the cation/anion interactions present in neat IL but already disrupting some anion/cation interactions due to preferential interaction with the anion. HOESY and NOESY data show that water displays contacts both with the cation and the anion in a positive NOE regime in contrary to the negative regime found for the cation/anion and cation/cation cross-relaxation. This is in accordance with the high relative diffusion coefficient of water and suggests that water molecules can exchange between preferential location sites that allow water to maintain contacts both with the anion and cation. Copyright © 2017 John Wiley & Sons, Ltd.

  14. Molecular insight into γ-γ tubulin lateral interactions within the γ-tubulin ring complex (γ-TuRC)

    Science.gov (United States)

    Suri, Charu; Hendrickson, Triscia W.; Joshi, Harish C.; Naik, Pradeep Kumar

    2014-09-01

    γ-tubulin is essential for the nucleation and organization of mitotic microtubules in dividing cells. It is localized at the microtubule organizing centers and mitotic spindle fibres. The most well accepted hypothesis for the initiation of microtubule polymerization is that α/β-tubulin dimers add onto a γ-tubulin ring complex (γTuRC), in which adjacent γ-tubulin subunits bind to the underlying non-tubulin components of the γTuRC. This template thus determines the resulting microtubule lattice. In this study we use molecular modelling and molecular dynamics simulations, combined with computational MM-PBSA/MM-GBSA methods, to determine the extent of the lateral atomic interaction between two adjacent γ-tubulins within the γTuRC. To do this we simulated a γ-γ homodimer for 10 ns and calculated the ensemble average of binding free energies of -107.76 kcal/mol by the MM-PBSA method and of -87.12 kcal/mol by the MM-GBSA method. These highly favourable binding free energy values imply robust lateral interactions between adjacent γ-tubulin subunits in addition to their end-interactions longitudinally with other proteins of γTuRC. Although the functional reconstitution of γ-TuRC subunits and their stepwise in vitro assembly from purified components is not yet feasible, we nevertheless wanted to recognize hotspot amino acids responsible for key γ-γ interactions. Our free energy decomposition data from converting a compendium of amino acid residues identified an array of hotspot amino acids. A subset of such mutants can be expressed in vivo in living yeast. Because γTuRC is important for the growth of yeast, we could test whether this subset of the hotspot mutations support growth of yeast. Consistent with our model, γ-tubulin mutants that fall into our identified hotspot do not support yeast growth.

  15. 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.

  16. 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)

  17. 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.

  18. 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.

  19. 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)

  20. Langevin dynamics of heavy flavors in relativistic heavy-ion collisions

    CERN Document Server

    Alberico, W M; De Pace, A; Molinari, A; Monteno, M; Nardi, M; Prino, F

    2011-01-01

    We study the stochastic dynamics of c and b quarks, produced in hard initial processes, in the hot medium created after the collision of two relativistic heavy ions. This is done through the numerical solution of the relativistic Langevin equation. The latter requires the knowledge of the friction and diffusion coefficients, whose microscopic evaluation is performed treating separately the contribution of soft and hard collisions. The evolution of the background medium is described by ideal/viscous hydrodynamics. Below the critical temperature the heavy quarks are converted into hadrons, whose semileptonic decays provide single-electron spectra to be compared with the current experimental data measured at RHIC. We focus on the nuclear modification factor R_AA and on the elliptic-flow coefficient v_2, getting, for sufficiently large p_T, a reasonable agreement.

  1. Impact of early stage non-equilibrium dynamics on photon production in relativistic heavy ion collisions

    International Nuclear Information System (INIS)

    Oliva, L; Plumari, S; Scardina, F; Greco, V; Ruggieri, M

    2017-01-01

    In this study we discuss our results on the spectrum of photons emitted from the quark-gluon plasma produced in heavy ion collisions at RHIC energies. Simulating the space-time evolution of the fireball by solving the relativistic Boltzmann transport equation and including two-particle scattering processes with photon emission allows us to make a first step in the description of thermal photons from the QGP as well as of those produced in the pre-equilibrium stage. Indeed, we consider not only a standard Glauber initial condition but also a model in which quarks and gluons are produced in the very early stage through the Schwinger mechanism by the decay of an initial color-electric field. In the latter approach relativistic kinetic equations are coupled in a self-consistent way to field equations. We aim at spotting the impact of early stage non-equilibrium dynamics on the photon production. (paper)

  2. Dynamics of solid inner-shell electrons in collisions with bare and dressed swift ions

    International Nuclear Information System (INIS)

    Montanari, C.C.; Miraglia, J. E.; Arista, N.R.

    2002-01-01

    We analyze the dynamical interactions of swift heavy projectiles and solid inner-shell electrons. The dielectric formalism employed to deal with the free-electron gas is extended to account for the core electrons, by using the local plasma approximation. Results for stopping power, energy straggling, and inner-shell ionization in collisions of bare ions with metals are displayed, showing very good accord with the experimental data. Simultaneous excitations of projectile and target electrons are also analyzed. In the high-energy range we find a similar contribution of target core and valence electrons to the probability of projectile-electron loss. The problem of no excitation threshold within the local plasma approximation and the possibility of collective excitations of the shells are discussed

  3. Dynamics of Plasma-Surface Interactions using In-situ Ion Beam Analysis

    International Nuclear Information System (INIS)

    Whyte, D.G.

    2009-01-01

    The overall goal of this proposal was to develop an innovative experimental facility that would allow for the measurement of real-time response of a material surface to plasma bombardment by employing in-situ high-energy ion beam analysis. This facility was successfully developed and deployed at U. Wisconsin-Madison and was named DIONISOS (Dynamics of IONic Implantation and Sputtering on Surfaces). There were several major highlights to the DIONISOS research which we will briefly highlight below. The full technical details of the DIONISOS development, deployment and research results are contained in the Appendices which contain several peer-reviewed publications and a PhD thesis devoted to DIONISOS. The DIONISOS results on deuterium retention in molybdenum were chosen as an invited talk at the 2008 International Conference on Plasma-Surface Interactions in Toledo, Spain.

  4. Molecular Dynamics Simulation of Damage to Coiled Carbon Nanotubes under C Ion Irradiation

    International Nuclear Information System (INIS)

    Zhou Bin; Zhang Wei; Gong Wen-Bin; Wang Song; Ren Cui-Lan; Wang Cheng-Bin; Zhu Zhi-Yuan; Huai Ping

    2013-01-01

    The stability of coiled carbon nanotubes under C ion irradiation is investigated by molecular dynamics simulations. The defect statistics shows that small curvature coiled carbon nanotubes have better radiation tolerance than normal straight carbon nanotubes. To understand the effect of the curvature on defect production, the threshold displacement energies for the upper and lower walls, as well as those for the side parts, are calculated. The results show that the lower wall has better radiation tolerance than the upper wall. For the upper wall, a small increase in the curvature of nanotube axis gives rise to an increase in the radiation tolerance and then a decrease with the curvature becomes larger. However, for the lower wall, as the curvature of the nanotube axis increases, the radiation tolerance increases as the bonds compressed slightly in our simulation

  5. On 2D electron cloud dynamics in high-current plasma lens for ion beam focusing

    International Nuclear Information System (INIS)

    Goncharov, A. A.; Litovko, I. V.; Onishchenko, I. N.; Zadorozhny, V. F.

    1997-01-01

    In this paper we are dealing with the appear the stable existence and dynamics of 2-D electron vortical structures in crossed electric and magnetic fields. The collective interactions in which the electron motion is nonlinear and ion motion is linear, is concerned. By using of the kinetic equation and the catastrophe theory approach we deduce an origin of the vortical structures. The nonlinear differential equation for the electric potential in a hydrodynamical approximation is obtained. It describes a drift motion of the electrons in oscillating electric fields of the high-current plasma lens(PL), arising due to presence the principal unremoval radical gradient of the axical component of the magnetic field. It was shown that the considered equations have contained the solutions in the form of the single vortical structures. The stability of the structures are given

  6. Beam Dynamics Design Studies of a Superconducting Radioactive Ion Beam Post-accelerator

    CERN Document Server

    Fraser, MA; Pasini, M

    2011-01-01

    The HIE-ISOLDE project at CERN proposes a superconducting upgrade to increase the energy range and quality of the radioactive ion beams produced at ISOLDE, which are currently post- accelerated by the normal conducting REX linac. The specification and design choices for the HIE-ISOLDE linac are outlined along with a comprehensive beam dynamics study undertaken to understand and mitigate the sources of beam emittance dilution. The dominant cause of transverse emittance growth was attributed to the coupling between the transverse and longitudinal motions through the phase dependence of the rf defocusing force in the accelerating cavities. A parametric resonance induced by the coupling was observed and its excitation surveyed as a function of trans- verse phase advance using numerical simulations and analytic models to understand and avoid the regions of transverse beam instability. Other sources of emittance growth were studied and where necessary ameliorated, including the beam steering force in the quarter-wa...

  7. Structure and dynamics of gas phase ions: Interplay between experiments and computations in IRMPD spectroscopy

    Science.gov (United States)

    Coletti, Cecilia; Corinti, Davide; Paciotti, Roberto; Re, Nazzareno; Crestoni, Maria Elisa; Fornarini, Simonetta

    2017-11-01

    The investigation of the molecular structure and dynamics of ions in gas phase is an item of increasing interest, due the role such species play in many areas of chemistry and physics, not to mention that they often represent elusive intermediates in more complex reaction mechanisms. Infrared Multiple Photon Dissociation spectroscopy is today one of the most advanced technique to this purpose, because of its high sensitivity to even small structure changes. The interpretation of IRMPD spectra strongly relies on high level quantum mechanical computations, so that a close interplay is needed for a detailed understanding of structure and kinetics properties which can be gathered from the many applications of this powerful technique. Recent advances in experiment and theory in this field are here illustrated, with emphasis on recent progresses for the elucidation of the mechanism of action of cisplatin, one of the most widely used anticancer drugs.

  8. Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields

    Science.gov (United States)

    Lee, M.W.; Meuwly, M.

    2013-01-01

    The evaluation of hydration free energies is a sensitive test to assess force fields used in atomistic simulations. We showed recently that the vibrational relaxation times, 1D- and 2D-infrared spectroscopies for CN(-) in water can be quantitatively described from molecular dynamics (MD) simulations with multipolar force fields and slightly enlarged van der Waals radii for the C- and N-atoms. To validate such an approach, the present work investigates the solvation free energy of cyanide in water using MD simulations with accurate multipolar electrostatics. It is found that larger van der Waals radii are indeed necessary to obtain results close to the experimental values when a multipolar force field is used. For CN(-), the van der Waals ranges refined in our previous work yield hydration free energy between -72.0 and -77.2 kcal mol(-1), which is in excellent agreement with the experimental data. In addition to the cyanide ion, we also study the hydroxide ion to show that the method used here is readily applicable to similar systems. Hydration free energies are found to sensitively depend on the intermolecular interactions, while bonded interactions are less important, as expected. We also investigate in the present work the possibility of applying the multipolar force field in scoring trajectories generated using computationally inexpensive methods, which should be useful in broader parametrization studies with reduced computational resources, as scoring is much faster than the generation of the trajectories.

  9. Explosive-Emission Plasma Dynamics in Ion Diode in Double-Pulse Mode

    International Nuclear Information System (INIS)

    Pushkarev, Alexander I.; Isakova, Yulia I.

    2011-01-01

    The results of an experimental investigation of explosive-emission plasma dynamics in an ion diode with self-magnetic insulation are presented. The investigations were accomplished at the TEMP-4M accelerator set in a mode of double pulse formation. Plasma behaviour in the anode-cathode gap was analyzed according to both the current-voltage characteristics of the diode (time resolution of 0.5 ns) and thermal imprints on a target (spatial resolution of 0.8 mm). It was shown that when plasma formation at the potential electrode was complete, and up until the second (positive) pulse, the explosive-emission plasma expanded across the anode-cathode gap with a speed of 1.3±0.2 cm/μs. After the voltage polarity at the potential electrode was reversed (second pulse), the plasma erosion in the anode-cathode gap (similar to the effect of a plasma opening switch) occurred. During the generation of an ion beam the size of the anode-cathode gap spacing was determined by the thickness of the plasma layer on the potential electrode and the layer thickness of the electrons drifting along the grounded electrode. (15th asian conference on electrical discharge)

  10. Computational fluid dynamic and thermal analysis of Lithium-ion battery pack with air cooling

    International Nuclear Information System (INIS)

    Saw, Lip Huat; Ye, Yonghuang; Tay, Andrew A.O.; Chong, Wen Tong; Kuan, Seng How; Yew, Ming Chian

    2016-01-01

    Highlights: • We designed and analyzed the thermal behavior of the Li-ion battery pack. • We analyzed the heat generation of 38,120 Li-ion cell using ARC. • We validated the simulation results with experimental studies. • We developed the correlations of Nu and Re for the air cooling battery pack. - Abstract: A battery pack is produced by connecting the cells in series and/or in parallel to provide the necessary power for electric vehicles (EVs). Those parameters affecting cost and reliability of the EVs, including cycle life, capacity, durability and warranty are highly dependent on the thermal management system. In this work, computational fluid dynamic analysis is performed to investigate the air cooling system for a 38,120 cell battery pack. The battery pack contained 24 pieces of 38,120 cells, copper bus bars, intake and exhaust plenum and holding plates with venting holes. Heat generated by the cell during charging is measured using an accelerating rate calorimeter. Thermal performances of the battery pack were analyzed with various mass flow rates of cooling air using steady state simulation. The correlation between Nu number and Re number were deduced from the numerical modeling results and compared with literature. Additionally, an experimental testing of the battery pack at different charging rates is conducted to validate the correlation. This method provides a simple way to estimate thermal performance of the battery pack when the battery pack is large and full transient simulation is not viable.

  11. Microstructure of titanium oxide films synthesized by ion beam dynamic mixing

    International Nuclear Information System (INIS)

    Makino, Y.; Setsuhara, Y.; Miyake, S.

    1994-01-01

    The microstructure of titanium oxide films synthesized by the ion beam dynamic mixing (IBDM) method is investigated by glancing angle X-ray diffraction and multi-reflectance FT-IR methods. Titanium oxide films are identified as rutile phases having different degrees of (110) orientation. The IBDM rutile phase with a standard crystalline state is produced by controlling the ratio of the intensities between the (110) and (101) peaks of the rutile, I(110)/I(101), so as to approach the ratio to the value (=2.0) of ASTM standard rutile. The crystallite size of the rutile phase increases with increasing ratio of intensities of the two XRD peaks, I(110)/I(101). The increase of the crystallite size is suggested to be attributed to the increase of oxygen ion energy per Ti atom. From the dependence of the IR absorption near 500 cm -1 upon I(110)/I(101), it is indicated that the Ti-O bond strength is delicately affected by the degree of (110) orientation of the IBDM rultile phase. ((orig.))

  12. Hamiltonian theory of the ion cyclotron minority heating dynamics in tokamak plasmas

    International Nuclear Information System (INIS)

    Becoulet, A.; Gambier, D.J.; Samain, A.

    1990-03-01

    The question of heating a tokamak plasma by means of electromagnetic waves in the Ion Cyclotron Range of Frequency (ICRF) is considered in the perspective of large RF powers and in the low collisionality regime. In such case the Quasi Linear Theory (QLT) is validated by the Hamiltonian dynamics of the wave particle interaction which exceeds the threshold of the intrinsic stochasticity. The Hamiltonian dynamics is represented by the evolution of a set of three canonical action angle variables well adapted to the tokamak magnetic configuration. This approach allows to derive the RF diffusion coefficient with very few assumptions. The distribution function of the resonant ions is written as a Fokker Planck equation but the emphasis is put on the QL diffusion instead of on the usual diffusion induced by collisions. Then the Fokker Planck equation is given a variational from which a solution is derived in the form of a semi analytical trial function of three parameters: the percentage of resonant particle contained in the tail; an isotropic width ΔT and an anisotropic one ΔP. This solution is successfully tested against real experimental observations. Practically it is shown that in the case of JET the distribution function is influenced by adiabatic barriers which in turn limit the Hamiltonian stochasticity domain within energy values typically in the MeV range. Consequently and for a given ICRF power, the tail energy excursion is lower and its concentration higher than that of a bounce averaged prediction. This may actually be an advantage for machines like JET considering the energy range required to simulate the α-particle behaviour in a relevant fusion reactor

  13. Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Collisionless Plasma Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Yu Lin; Xueyi Wang; Liu Chen; Zhihong Lin

    2009-08-11

    Fully kinetic-particle simulations and hybrid simulations have been utilized for decades to investigate various fundamental plasma processes, such as magnetic reconnection, fast compressional waves, and wave-particle interaction. Nevertheless, due to disparate temporal and spatial scales between electrons and ions, existing fully kinetic-particle codes have to employ either unrealistically high electron-to-ion mass ratio, me/mi, or simulation domain limited to a few or a few ten's of the ion Larmor radii, or/and time much less than the global Alfven time scale in order to accommodate available computing resources. On the other hand, in the hybrid simulation, the ions are treated as fully kinetic particles but the electrons are treated as a massless fluid. The electron kinetic effects, e.g., wave-particle resonances and finite electron Larmor radius effects, are completely missing. Important physics, such as the electron transit time damping of fast compressional waves or the triggering mechanism of magnetic reconnection in collisionless plasmas is absent in the hybrid codes. Motivated by these considerations and noting that dynamics of interest to us has frequencies lower than the electron gyrofrequency, we planned to develop an innovative particle simulation model, gyrokinetic (GK) electrons and fully kinetic (FK) ions. In the GK-electron and FK-ion (GKe/FKi) particle simulation model, the rapid electron cyclotron motion is removed, while keeping finite electron Larmor radii, realistic me/mi ratio, wave-particle interactions, and off-diagonal components of electron pressure tensor. The computation power can thus be significantly improved over that of the full-particle codes. As planned in the project DE-FG02-05ER54826, we have finished the development of the new GK-electron and FK-ion scheme, finished its benchmark for a uniform plasma in 1-D, 2-D, and 3-D systems against linear waves obtained from analytical theories, and carried out a further convergence

  14. Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Collisionless Plasma Dynamics

    International Nuclear Information System (INIS)

    Lin, Yu; Wang, Xueyi; Chen, Liu; Lin, Zhihong

    2009-01-01

    Fully kinetic-particle simulations and hybrid simulations have been utilized for decades to investigate various fundamental plasma processes, such as magnetic reconnection, fast compressional waves, and wave-particle interaction. Nevertheless, due to disparate temporal and spatial scales between electrons and ions, existing fully kinetic-particle codes have to employ either unrealistically high electron-to-ion mass ratio, me/mi, or simulation domain limited to a few or a few ten's of the ion Larmor radii, or/and time much less than the global Alfven time scale in order to accommodate available computing resources. On the other hand, in the hybrid simulation, the ions are treated as fully kinetic particles but the electrons are treated as a massless fluid. The electron kinetic effects, e.g., wave-particle resonances and finite electron Larmor radius effects, are completely missing. Important physics, such as the electron transit time damping of fast compressional waves or the triggering mechanism of magnetic reconnection in collisionless plasmas is absent in the hybrid codes. Motivated by these considerations and noting that dynamics of interest to us has frequencies lower than the electron gyrofrequency, we planned to develop an innovative particle simulation model, gyrokinetic (GK) electrons and fully kinetic (FK) ions. In the GK-electron and FK-ion (GKe/FKi) particle simulation model, the rapid electron cyclotron motion is removed, while keeping finite electron Larmor radii, realistic me/mi ratio, wave-particle interactions, and off-diagonal components of electron pressure tensor. The computation power can thus be significantly improved over that of the full-particle codes. As planned in the project DE-FG02-05ER54826, we have finished the development of the new GK-electron and FK-ion scheme, finished its benchmark for a uniform plasma in 1-D, 2-D, and 3-D systems against linear waves obtained from analytical theories, and carried out a further convergence test

  15. R$_{b}$ - R$_{c}$ crisis and new physics

    CERN Document Server

    Bhattacharya, G; Hou Wei Shu; Bhattacharyya, Gautam; Branco, Gustavo C; Hou, Wei Shu

    1996-01-01

    The experimental values of R_b and R_c are the only data which do not seem to agree with Standard Model predictions. Although it is still premature to draw any definite conclusions, it is timely to look for new physics which could explain the excess in R_b and deficit in R_c. We investigate this problem in a simple extension of the Standard Model, where a charge +2/3 isosinglet quark is added to the standard spectrum. Upon the further introduction of an extra scalar doublet, one finds a solution with interesting consequences.

  16. Deformation Analysis of RC Ties Externally Strengthened with FRP Sheets

    Science.gov (United States)

    Gribniak, V.; Arnautov, A. K.; Kaklauskas, G.; Jakstaite, R.; Tamulenas, V.; Gudonis, E.

    2014-11-01

    The current study has two objectives: to validate the ability of the Atena finite-element software to estimate the deformations of reinforced concrete (RC) elements strengthened with fiber-reinforced polymer (FRP) sheets and to assess the effect of FRP-to-concrete bond strength on the results of numerical simulation. It is shown that the bond strength has to be selected according to the overall stiffness of the composite element. The numerical results found are corroborated experimentally by tensile tests of RC elements strengthened with basalt FRP sheets.

  17. Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion.

    Science.gov (United States)

    Daub, Christopher D; Cann, Natalie M

    2012-11-01

    We study small clusters of water or methanol containing a single Ca(2+), Na(+), or Cl(-) ion with classical molecular dynamics simulations, using models that incorporate polarizability via the Drude oscillator framework. Evaporation and condensation of solvent from these clusters is examined in two systems, (1) for isolated clusters initially prepared at different temperatures and (2) those with a surrounding inert (Ar) gas of varying temperature. We examine these clusters over a range of sizes, from almost bare ions up to 40 solvent molecules. We report data on the evaporation and condensation of solvent from the clusters and argue that the observed temperature dependence of evaporation in the smallest clusters demonstrates that the presence of heated gas alone cannot, in most cases, solely account for bare ion production in electrospray ionization (ESI), neglecting the key contribution of the electric field. We also present our findings on the structure and energetics of the clusters as a function of size. Our data agree well with the abundant literature on hydrated ion clusters and offer some novel insight into the structure of methanol and ion clusters, especially those with a Cl(-) anion, where we observe the presence of chain-like structures of methanol molecules. Finally, we provide some data on the reparameterizations necessary to simulate ions in methanol using the separately developed Drude oscillator models for methanol and for ions in water.

  18. Structural model and excitonic properties of the dimeric RC-LH1-PufX complex from Rhodobacter sphaeroides

    International Nuclear Information System (INIS)

    Sener, Melih; Hsin, Jen; Trabuco, Leonardo G.; Villa, Elizabeth; Qian, Pu; Hunter, C. Neil; Schulten, Klaus

    2009-01-01

    The light-harvesting apparatus of the purple bacterial photosynthetic unit consists of a pool of peripheral light-harvesting complexes that transfer excitation energy to a reaction center (RC) via the surrounding pigment-protein complex LH1. Recent electron microscopy and atomic force microscopy studies have revealed that RC-LH1 units of Rhodobacter (Rba.) sphaeroides form membrane-bending dimeric complexes together with the polypeptide PufX. We present a structural model for these RC-LH1-PufX dimeric complexes constructed using the molecular dynamics flexible fitting method based on an EM density map. The arrangement of the LH1 BChls displays a distortion near the proposed location of the PufX polypeptide. The resulting atomic model for BChl arrays is used to compute the excitonic properties of the dimeric RC-LH1 complex. A comparison is presented between the structural and excitonic features of the S-shaped dimeric BChl array of Rba. sphaeroides and the circular BChl arrangement found in other purple bacteria

  19. 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

  20. Dynamics of r.f. production of Stellarator plasmas in the ion cyclotron range of frequency

    International Nuclear Information System (INIS)

    Moiseenko, V.E.; Lysoivan, A.I.; Kasilov, S.V.; Plyusnin, V.V.

    1995-01-01

    The present study investigated numerically the process of r.f. production of plasma in the URAGAN-3M torsatron in the frequency range below the ion cyclotron frequency (ω ci ). The dynamics of r.f. plasma build-up at the stages of neutral gas burnout and plasma heating were studied using a zero-dimensional transport code, in which the plasma confinement law was determined by large helical device scaling. Two models for input r.f. power were used. In the first case, the r.f. power absorbed by the electrons was computed by a one-dimensional r.f. code solving Maxwell's boundary problem equations. The mechanisms of electron heating through direct excitation of the slow wave (SW) by antennae as well as the conversion of fast wave (FW) into SW in the vicinity of Alfven resonance (scenario of Alfven heating) were taken into account in the computations. In the second case, an 'ideal' model of r.f. power deposition onto the electrons as a linear function of plasma density was employed. A noticeable difference in plasma production dynamics computed for these two cases was found. Better agreement with experimental data obtained from the URAGAN-3M torsatron was found for the first case resulting from combination of the one-dimensional r.f. and zero-dimensional transport codes. ((orig.))

  1. 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.

  2. Seismic Performance of Multi-Span RC Railway Bridges

    DEFF Research Database (Denmark)

    Georgakis, Christos; Barrau, Xavier

    2008-01-01

    Presently, there is no clear method for determining the optimal railway bridge design for a particular ground type and expected seismic intensity. Four main types of RC bridge dominate the current multi-span railway bridge design trends – the Simply Supported Beam, Continuous Box-Girder (CBG), CBG...

  3. Damage Localization and Quantification of Earthquake Excited RC-Frames

    DEFF Research Database (Denmark)

    Skjærbæk, P.S.; Nielsen, Søren R.K.; Kirkegaard, Poul Henning

    In the paper a recently proposed method for damage localization and quantification of RC-structures from response measurements is tested on experimental data. The method investigated requires at least one response measurement along the structure and the ground surface acceleration. Further, the t...

  4. The RC Circuit: An Approach with Fourier Transforms

    Indian Academy of Sciences (India)

    The RC Circuit: An Approach with Fourier Transforms. Classroom Volume 21 Issue 11 November 2016 pp 1029-1042 ... But a lot of things, (including the complex impedanceitself, and some insight into complex analysis) can be understoodbetter if we use the FT approach to solve the differentialequations that come up in ...

  5. [Application of Brownian dynamics to the description of transmembrane ion flow as exemplified by the chloride channel of glycine receptor].

    Science.gov (United States)

    Boronovskiĭ, S E; Nartsissov, Ia R

    2009-01-01

    Using the Brownian dynamics of the movement of hydrated ion in a viscous water solution, a mathematical model has been built, which describes the transport of charged particles through a single protein pore in a lipid membrane. The dependences of transmembrane ion currents on ion concentrations in solution have been obtained. It was shown that, if the geometry of a membrane pore is identical to that of the inner part of the glycine receptor channel and there is no ion selectivity, then the values of both chloride and sodium currents are not greater than 0.5 pA at the physiological concentrations of these ions. If local charge heterogeneity caused by charged amino acid residues of transmembrane protein segments is included into the model calculations, the chloride current increases to about 3.7 pA, which exceeds more than seven times the value for sodium ions under the conditions of the complex channel geometry in the range of physiological concentrations of ions in the solution. The model takes changes in the density of charge distribution both inside the channel and near the protein surface into account. The alteration of pore geometry can be also considered as a parameter at the researcher's option. Thus, the model appears as an effective tool for the description of transmembrane currents for other types of membrane channels.

  6. Measuring radiation damage dynamics by pulsed ion beam irradiation. 2015 Annual Progress Report for DOE/NE/NEET

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-03-07

    The major goal of this project is to develop and demonstrate a novel experimental approach to access the dynamic regime of radiation damage formation processes 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 2, this project had the following two major milestones: (i) measurement of the temperature dependence of defect dynamics in SiC and (ii) the evaluation of the robustness of the pulsed beam method from studies of the defect generation rate. As we describe below, both of these milestones have been met.

  7. 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

  8. Predicting the seismic performance of typical R/C healthcare facilities: emphasis on hospitals

    Science.gov (United States)

    Bilgin, Huseyin; Frangu, Idlir

    2017-09-01

    Reinforced concrete (RC) type of buildings constitutes an important part of the current building stock in earthquake prone countries such as Albania. Seismic response of structures during a severe earthquake plays a vital role in the extent of structural damage and resulting injuries and losses. In this context, this study evaluates the expected performance of a five-story RC healthcare facility, representative of common practice in Albania, designed according to older codes. The design was based on the code requirements used in this region during the mid-1980s. Non-linear static and dynamic time history analyses were conducted on the structural model using the Zeus NL computer program. The dynamic time history analysis was conducted with a set of ground motions from real earthquakes. The building responses were estimated in global levels. FEMA 356 criteria were used to predict the seismic performance of the building. The structural response measures such as capacity curve and inter-story drift under the set of ground motions and pushover analyses results were compared and detailed seismic performance assessment was done. The main aim of this study is considering the application and methodology for the earthquake performance assessment of existing buildings. The seismic performance of the structural model varied significantly under different ground motions. Results indicate that case study building exhibit inadequate seismic performance under different seismic excitations. In addition, reasons for the poor performance of the building is discussed.

  9. Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging.

    Science.gov (United States)

    He, Yadong; Qiao, Rui; Vatamanu, Jenel; Borodin, Oleg; Bedrov, Dmitry; Huang, Jingsong; Sumpter, Bobby G

    2016-01-07

    Molecular simulations of the diffusion of EMIM(+) and TFSI(-) ions in slit-shaped micropores under conditions similar to those during charging show that in pores that accommodate only a single layer of ions, ions diffuse increasingly faster as the pore becomes charged (with diffusion coefficients even reaching ∼5 × 10(-9) m(2)/s), unless the pore becomes very highly charged. In pores wide enough to fit more than one layer of ions, ion diffusion is slower than in the bulk and changes modestly as the pore becomes charged. Analysis of these results revealed that the fast (or slow) diffusion of ions inside a micropore during charging is correlated most strongly with the dense (or loose) ion packing inside the pore. The molecular details of the ions and the precise width of the pores modify these trends weakly, except when the pore is so narrow that the ion conformation relaxation is strongly constrained by the pore walls.

  10. Plasma channel and Z-pinch dynamics for heavy ion transport

    Energy Technology Data Exchange (ETDEWEB)

    Ponce-Marquez, David [Univ. of California, Berkeley, CA (United States)

    2002-01-01

    A self stabilized, free standing, z-pinch plasma channel has been proposed to deliver the high intensity heavy ion beam from the end of a driver to the fuel target in a heavy ion inertial fusion power plant. The z-pinch relaxes emittance and energy spread requirements requiring a lower cost driver. A z-pinch transport would reduce the number of beam entry port holes to the target chamber from over a hundred to four as compared to neutralized ballistic focusing thus reducing the driver hardware exposure to neutron flux. Experiments where a double pulse discharge technique is used, z-pinch plasma channels with enhanced stability are achieved. Typical parameters are 7 kV pre-pulse discharge and 30 kV main bank discharge with 50 kA of channel current in a 7 torr background gas atmosphere. This work is an experimental study of these plasma channels examining the relevant physics necessary to understand and model such plasmas. Laser diagnostics measured the dynamical properties of neutrals and plasma. Schlieren and phase contrast techniques probe the pre-pulse gas dynamics and infrared interferometry and faraday effect polarimetry are used on the z-pinch to study its electron density and current distribution. Stability and repeatability of the z-pinch depend on the initial conditions set by the pre-pulse. Results show that the z-pinch channel is wall stabilized by an on-axis gas density depression created by the pre-pulse through hydrodynamic expansion where the ratio of the initial gas density to the final gas density is > 10/1. The low on-axis density favors avalanching along the desired path for the main bank discharge. Pinch time is around 2 s from the main bank discharge initiation with a FWHM of ~ 2 cm. Results also show that typical main bank discharge plasma densities reach 1017 cm-3 peak on axis for a 30 kV, 7 torr gas nitrogen discharge. Current rise time is limited by the circuit-channel inductance with the highest contribution to the

  11. Design of RC frames for pre-selected collapse mechanism and ...

    Indian Academy of Sciences (India)

    In this study, total energy of RC frames is calculated and .... curvature relations of RC beam and column members are required for both ..... Case study ..... Turkish Seismic Design Code 2007 Ministry of Public Works and Settlement, Ankara.

  12. 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

  13. 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

  14. Cometary ion dynamics observed in the close vicinity of comet 67P/Churyumov-Gerasimenko during the intermediate activity period

    Science.gov (United States)

    Berčič, L.; Behar, E.; Nilsson, H.; Nicolaou, G.; Wieser, G. Stenberg; Wieser, M.; Goetz, C.

    2018-06-01

    Aims: Cometary ions are constantly produced in the coma, and once produced they are accelerated and eventually escape the coma. We describe and interpret the dynamics of the cometary ion flow, of an intermediate active comet, very close to the nucleus and in the terminator plane. Methods: We analysed in situ ion and magnetic field measurements, and characterise the velocity distribution functions (mostly using plasma moments). We propose a statistical approach over a period of one month. Results: On average, two populations were observed, separated in phase space. The motion of the first is governed by its interaction with the solar wind farther upstream, while the second one is accelerated in the inner coma and displays characteristics compatible with an ambipolar electric field. Both populations display a consistent anti-sunward velocity component. Conclusions: Cometary ions born in different regions of the coma are seen close to the nucleus of comet 67P/Churyumov-Gerasimenko with distinct motions governed in one case by the solar wind electric field and in the other case by the position relative to the nucleus. A consistent anti-sunward component is observed for all cometary ions. An asymmetry is found in the average cometary ion density in a solar wind electric field reference frame, with higher density in the negative (south) electric field hemisphere. There is no corresponding signature in the average magnetic field strength.

  15. Quantifying microstructural dynamics and electrochemical activity of graphite and silicon-graphite lithium ion battery anodes

    Science.gov (United States)

    Pietsch, Patrick; Westhoff, Daniel; Feinauer, Julian; Eller, Jens; Marone, Federica; Stampanoni, Marco; Schmidt, Volker; Wood, Vanessa

    2016-09-01

    Despite numerous studies presenting advances in tomographic imaging and analysis of lithium ion batteries, graphite-based anodes have received little attention. Weak X-ray attenuation of graphite and, as a result, poor contrast between graphite and the other carbon-based components in an electrode pore space renders data analysis challenging. Here we demonstrate operando tomography of weakly attenuating electrodes during electrochemical (de)lithiation. We use propagation-based phase contrast tomography to facilitate the differentiation between weakly attenuating materials and apply digital volume correlation to capture the dynamics of the electrodes during operation. After validating that we can quantify the local electrochemical activity and microstructural changes throughout graphite electrodes, we apply our technique to graphite-silicon composite electrodes. We show that microstructural changes that occur during (de)lithiation of a pure graphite electrode are of the same order of magnitude as spatial inhomogeneities within it, while strain in composite electrodes is locally pronounced and introduces significant microstructural changes.

  16. Dynamical initial-state model for relativistic heavy-ion collisions

    Science.gov (United States)

    Shen, Chun; Schenke, Björn

    2018-02-01

    We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy-ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a fluctuating time depending on sampled final rapidities. Energy is deposited in space time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directly from the initial-state model, including net-baryon rapidity distributions, two-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. We also present the implementation of the model with 3+1-dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial-state model at proper times greater than the initial time for the hydrodynamic simulation.

  17. Edge ion dynamics in H-mode discharges in DIII-D

    International Nuclear Information System (INIS)

    Groebner, R.J.; Burrell, K.H.; Gohil, P.; Kim, J.; Seraydarian, R.P.

    1992-05-01

    The goal of this paper is to present detailed measurements of T i and E r at the plasma edge in L- and H-mode with high spatial resolution in order the study the edge ion dynamics. Of primary interest is the relationship between T i and E r and the behavior of the edge T i profile in H-mode. The principle findings are: there appears to be a threshold temperature for T i required for the transition to occur with T i at the LCFS in the range of 0.2--0.3 keV at the transition; a correlation between the edge E r profile and the edge T i profile has been observed; and values of T i of 2--3 keV within a few cm of the LCFS and of dT i /dr of up to 1 keV/cm are observed in the transport barrier in H-mode, with the scale length for T i being of the order of a poloidal gyroradius

  18. Dynamical modeling procedure of a Li-ion battery pack suitable for real-time applications

    International Nuclear Information System (INIS)

    Castano, S.; Gauchia, L.; Voncila, E.; Sanz, J.

    2015-01-01

    Highlights: • Dynamical modeling of a 50 A h battery pack composed of 56 cells. • Detailed analysis of SOC tests at realistic performance range imposed by BMS. • We propose an electrical circuit that improves how the battery capacity is modeled. • The model is validated in the SOC range using a real-time experimental setup. - Abstract: This paper presents the modeling of a 50 A h battery pack composed of 56 cells, taking into account real battery performance conditions imposed by the BMS control. The modeling procedure starts with a detailed analysis of experimental charge and discharge SOC tests. Results from these tests are used to obtain the battery model parameters at a realistic performance range (20–80% SOC). The model topology aims to better describe the finite charge contained in a battery pack. The model has been validated at three different SOC values in order to verify the model response at real battery pack operation conditions. The validation tests show that the battery pack model is able to simulate the real battery response with excellent accuracy in the range tested. The proposed modeling procedure is fully applicable to any Li-ion battery pack, regardless of the number of series or parallel cells or its rated capacity

  19. Cisterna magna microdialysis of 22Na to evaluate ion transport and cerebrospinal fluid dynamics

    International Nuclear Information System (INIS)

    Knuckey, N.W.; Fowler, A.G.; Johanson, C.E.; Nashold, J.R.; Epstein, M.H.

    1991-01-01

    Microdialysis is used in vivo for measuring compounds in brain interstitial fluid. The authors describe another application of this technique to the central nervous system, namely microprobe dialysis in the cisterna magna to study the dynamics of ion transport and cerebrospinal fluid (CSF) formation in the rat. The choroid plexus is the major source of CSF, which is produced by active transport of Na from blood into the cerebral ventricles. Formation of CSF is directly proportional to the blood-to-CSF transport of Na. By injecting 22 Na into the systemic circulation and quantifying its movement into CSF by microdialysis, one can reliably estimate alterations in the rate of CSF formation. The sensitivity of this system was determined by administering acetazolamide, a standard inhibitor of CSF production. Because acetazolamide is known to decrease CSF formation by 40% to 50%, the cisternal microdialysis system in animals treated with this drug should detect a corresponding decrease in the amount of 22 Na dialyzed. This hypothesis is supported by the 22 Na uptake curves for control versus treated animals: that is, by the acetazolamide-induced average diminution of about 45% in both the rate and extent of tracer accession to dialysate. Bumetanide, a loop diuretic, reduced by 30% the 22 Na entry into dialysate. Microprobe dialysis of fluid in the cisterna magna is thus a minimally invasive and economical method for evaluating effects of drugs and hormones on the choroid plexus-CSF system

  20. 75 FR 1356 - RC2 Corporation, Provisional Acceptance of a Settlement Agreement and Order

    Science.gov (United States)

    2010-01-11

    ... primarily at toy stores and various retailers nationwide, and secondarily through RC2's e-commerce websites... various retailers nationwide, and secondarily through RC2's e-commerce Web sites or as `sub-components' of...(e). Published below is a provisionally-accepted Settlement Agreement with RC2 Corporation...

  1. A Plastic Design Method for RC Moment Frame Buildings against Progressive Collapse

    Directory of Open Access Journals (Sweden)

    Hadi Faghihmaleki

    2017-04-01

    Full Text Available In this study, progressive collapse potential of generic 3-, 8- and 12-storey RC moment frame buildings designed based on IBC-2006 code was investigated by performing non-linear static and dynamic analyses. It was observed that the model structures had high potential for progressive collapse when the second floor column was suddenly removed. Then, the size of beams required to satisfy the failure criteria for progressive collapse was obtained by using the virtual work method; i.e., using the equilibrium of the external work done by gravity load due to loss of a column and the internal work done by plastic rotation of beams. According to the nonlinear dynamic analysis results, the model structures designed only for normal load turned out to have strong potential for progressive collapse whereas the structures designed by plastic design concept for progressive collapse satisfied the failure criterion recommended by the GSA code. 

  2. Performance of a multi-section ICRF array for a RTO/RC ITER

    International Nuclear Information System (INIS)

    Bosia, Giuseppe; Brambilla, Marco

    1999-01-01

    In an RTO/RC ITER, the Ion Cyclotron (IC) Heating and Current Drive System would need to operate at a power density of 6.5 MW/m 2 , (or about twice the design value adopted in the ITER Final Design Report), in order to provide the required total power output of 40 MW of RF power from two equatorial ports. A significant upgrade of the original IC array design is necessary, in order to keep the operating RF voltage at the plasma interface within acceptable limits. This is in principle possible by increasing the number of array elements and by operating them in parallel. In the paper the prospects of this modifications and the implications on the array layout are discussed

  3. Eliminating degradation and uncovering ion-trapping dynamics in electrochromic WO3 thin films

    Science.gov (United States)

    Wen, Rui-Tao; Granqvist, Claes G.; Niklasson, Gunnar A.

    2015-01-01

    Amorphous WO3 thin films are of keen interest as cathodic electrodes in transmittance-modulating electrochromic devices. However, these films suffer from ion-trapping-induced degradation of optical modulation and reversibility upon extended Li+-ion exchange. Here, we demonstrate that ion-trapping-induced degradation, which is commonly believed to be irreversible, can be successfully eliminated by constant-current-driven de-trapping, i.e., WO3 films can be rejuvenated and regain their initial highly reversible electrochromic performance. Pronounced ion-trapping occurs when x exceeds ~0.65 in LixWO3 during ion insertion. We find two main kinds of Li+-ion trapping sites (intermediate and deep) in WO3, where the intermediate ones are most prevalent. Li+-ions can be completely removed from intermediate traps but are irreversibly bound in deep traps. Our results provide a general framework for developing and designing superior electrochromic materials and devices. PMID:26259104

  4. Some aspects of metallic ion chemistry and dynamics in the mesosphere and thermosphere

    Science.gov (United States)

    Mathews, J. D.

    1987-01-01

    The relationship between the formation of sporadic layers of metallic ion and the dumping of these ions into the upper mesosphere is discussed in terms of the tidal wind, classical (i.e., windshear) and other more complex, perhaps highly nonlinear layer formation mechanisms, and a possible circulation mechanism for these ions. Optical, incoherent scatter radar, rocket, and satellite derived evidence for various layer formation mechanisms and for the metallic ion circulation system is reviewed. The results of simple one dimensional numerical model calculations of sporadic E and intermediate layer formation are presented along with suggestions for more advanced models of intense or blanketing sporadic E. The flux of metallic ions dumped by the tidal wind system into the mesosphere is estimated and compared with estimates of total particle flux of meteoric origin. Possible effects of the metallic ion flux and of meteoric dust on D region ion chemistry are discussed.

  5. Limit analysis on FRP-strengthened RC members

    Directory of Open Access Journals (Sweden)

    D. De Domenico

    2014-07-01

    Full Text Available Reinforced concrete (RC members strengthened with externally bonded fiber-reinforced-polymer (FRP plates are numerically investigated by a plasticity-based limit analysis approach. The key-concept of the present approach is to adopt proper constitutive models for concrete, steel reinforcement bars (re-bars and FRP strengthening plates according to a multi-yield-criteria formulation. This allows the prediction of concrete crushing, steel bars yielding and FRP rupture that may occur at the ultimate limit state. To simulate such limitstate of the analysed elements, two iterative methods performing linear elastic analyses with adaptive elastic parameters and finite elements (FEs description are employed. The peak loads and collapse mechanisms predicted for FRP-plated RC beams are validated by comparison with the corresponding experimental findings.

  6. GR712RC- Dual-Core Processor- Product Status

    Science.gov (United States)

    Sturesson, Fredrik; Habinc, Sandi; Gaisler, Jiri

    2012-08-01

    The GR712RC System-on-Chip (SoC) is a dual core LEON3FT system suitable for advanced high reliability space avionics. Fault tolerance features from Aeroflex Gaisler’s GRLIB IP library and an implementation using Ramon Chips RadSafe cell library enables superior radiation hardness.The GR712RC device has been designed to provide high processing power by including two LEON3FT 32- bit SPARC V8 processors, each with its own high- performance IEEE754 compliant floating-point-unit and SPARC reference memory management unit.This high processing power is combined with a large number of serial interfaces, ranging from high-speed links for data transfers to low-speed control buses for commanding and status acquisition.

  7. A genetically-encoded chloride and pH sensor for dissociating ion dynamics in the nervous system

    Science.gov (United States)

    Raimondo, Joseph V.; Joyce, Bradley; Kay, Louise; Schlagheck, Theresa; Newey, Sarah E.; Srinivas, Shankar; Akerman, Colin J.

    2013-01-01

    Within the nervous system, intracellular Cl− and pH regulate fundamental processes including cell proliferation, metabolism, synaptic transmission, and network excitability. Cl− and pH are often co-regulated, and network activity results in the movement of both Cl− and H+. Tools to accurately measure these ions are crucial for understanding their role under physiological and pathological conditions. Although genetically-encoded Cl− and pH sensors have been described previously, these either lack ion specificity or are unsuitable for neuronal use. Here we present ClopHensorN—a new genetically-encoded ratiometric Cl− and pH sensor that is optimized for the nervous system. We demonstrate the ability of ClopHensorN to dissociate and simultaneously quantify Cl− and H+ concentrations under a variety of conditions. In addition, we establish the sensor's utility by characterizing activity-dependent ion dynamics in hippocampal neurons. PMID:24312004

  8. A genetically-encoded chloride and pH sensor for dissociating ion dynamics in the nervous system.

    Science.gov (United States)

    Raimondo, Joseph V; Joyce, Bradley; Kay, Louise; Schlagheck, Theresa; Newey, Sarah E; Srinivas, Shankar; Akerman, Colin J

    2013-01-01

    Within the nervous system, intracellular Cl(-) and pH regulate fundamental processes including cell proliferation, metabolism, synaptic transmission, and network excitability. Cl(-) and pH are often co-regulated, and network activity results in the movement of both Cl(-) and H(+). Tools to accurately measure these ions are crucial for understanding their role under physiological and pathological conditions. Although genetically-encoded Cl(-) and pH sensors have been described previously, these either lack ion specificity or are unsuitable for neuronal use. Here we present ClopHensorN-a new genetically-encoded ratiometric Cl(-) and pH sensor that is optimized for the nervous system. We demonstrate the ability of ClopHensorN to dissociate and simultaneously quantify Cl(-) and H(+) concentrations under a variety of conditions. In addition, we establish the sensor's utility by characterizing activity-dependent ion dynamics in hippocampal neurons.

  9. A genetically-encoded chloride and pH sensor for dissociating ion dynamics in the nervous system

    Directory of Open Access Journals (Sweden)

    Joseph Valentino Raimondo

    2013-11-01

    Full Text Available Within the nervous system, intracellular Cl- and pH regulate fundamental processes including cell proliferation, metabolism, synaptic transmission and network excitability. Cl- and pH are often co-regulated, and network activity results in the movement of both Cl- and H+. Tools to accurately measure these ions are crucial for understanding their role under physiological and pathological conditions. Although genetically-encoded Cl- and pH sensors have been described previously, these either lack ion specificity or are unsuitable for neuronal use. Here we present ClopHensorN - a new genetically-encoded ratiometric Cl- and pH sensor that is optimized for the nervous system. We demonstrate the ability of ClopHensorN to dissociate and simultaneously quantify Cl- and H+ concentrations under a variety of conditions. In addition, we establish the sensor’s utility by characterizing activity-dependent ion dynamics in hippocampal neurons.

  10. An experimental investigation for external RC shear wall applications

    Science.gov (United States)

    Kaltakci, M. Y.; Ozturk, M.; Arslan, M. H.

    2010-09-01

    The strength and rigidity of most reinforced concrete (RC) buildings in Turkey, which are frequently hit by destructive earthquakes, is not at a sufficient level. Therefore, the result of earthquakes is a significant loss of life and property. The strengthening method most commonly preferred for these type of RC buildings is the application of RC infilled walls (shear walls) in the frame openings of the building. However, since the whole building has to be emptied and additional heavy costs arise during this type of strengthening, users prefer not to strengthen their buildings despite the heavy risk they are exposed to. Therefore, it is necessary to develop easier-to-apply and more effective methods for the rapid strengthening of housing and the heavily-used public buildings which cannot be emptied during the strengthening process (such as hospitals and schools). This study empirically analyses the different methods of a new system which can meet this need. In this new system, named "external shear wall application", RC shear walls are applied on the external surface of the building, along the frame plane rather than in the building. To this end, 7 test samples in 1/2 and 1/3 geometrical scale were designed to analyse the efficiency of the strengthening technique where the shear wall leans on the frame from outside of the building (external shear wall application) and of the strengthening technique where a specific space is left between the frame and the external shear wall by using a coupling beam to connect elements (application of external shear wall with coupling beam). Test results showed that the maximum lateral load capacity, initial rigidity and energy dissipation behaviours of the samples strengthened with external shear wall were much better than those of the bare frames.

  11. An experimental investigation for external RC shear wall applications

    Directory of Open Access Journals (Sweden)

    M. Y. Kaltakci

    2010-09-01

    Full Text Available The strength and rigidity of most reinforced concrete (RC buildings in Turkey, which are frequently hit by destructive earthquakes, is not at a sufficient level. Therefore, the result of earthquakes is a significant loss of life and property. The strengthening method most commonly preferred for these type of RC buildings is the application of RC infilled walls (shear walls in the frame openings of the building. However, since the whole building has to be emptied and additional heavy costs arise during this type of strengthening, users prefer not to strengthen their buildings despite the heavy risk they are exposed to. Therefore, it is necessary to develop easier-to-apply and more effective methods for the rapid strengthening of housing and the heavily-used public buildings which cannot be emptied during the strengthening process (such as hospitals and schools. This study empirically analyses the different methods of a new system which can meet this need. In this new system, named "external shear wall application", RC shear walls are applied on the external surface of the building, along the frame plane rather than in the building. To this end, 7 test samples in 1/2 and 1/3 geometrical scale were designed to analyse the efficiency of the strengthening technique where the shear wall leans on the frame from outside of the building (external shear wall application and of the strengthening technique where a specific space is left between the frame and the external shear wall by using a coupling beam to connect elements (application of external shear wall with coupling beam. Test results showed that the maximum lateral load capacity, initial rigidity and energy dissipation behaviours of the samples strengthened with external shear wall were much better than those of the bare frames.

  12. 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.

  13. Dynamic shear stabilization of hydromagnetic instabilities in low-beta plasma column by a frequency near the ion cyclotron frequency

    International Nuclear Information System (INIS)

    Minami, Kazuo; Sato, Kazunori.

    1978-09-01

    The dynamic shear stabilization of the hydromagnetic instability in low-beta plasmas by an axial RF current whose frequency is not much smaller than the ion cyclotron frequency ωsub(ci) is analyzed in some detail. We adopt the simple model of a uniform plasma column with infinite conductivity. Attention is limited to the case of the m = 1 kink mode with long wave lengths. The Mathieu equation, in which the effect of the ion cyclotron motion is taken into account, is derived. It is shown that the dynamic shear stabilization is still effective, even if the frequency of the applied RF current is of the order of ωsub(ci), which is considerably higher than the frequencies believed to be available in the previous analyses. (author)

  14. Conformational changes and slow dynamics through microsecond polarized atomistic molecular simulation of an integral Kv1.2 ion channel

    DEFF Research Database (Denmark)

    Bjelkmar, Pär; Niemelä, Perttu S; Vattulainen, Ilpo

    2009-01-01

    transitions occur in membrane proteins-not to mention numerous applications in drug design. Here, we present a full 1 micros atomic-detail molecular dynamics simulation of an integral Kv1.2 ion channel, comprising 120,000 atoms. By applying 0.052 V/nm of hyperpolarization, we observe structural rearrangements......Structure and dynamics of voltage-gated ion channels, in particular the motion of the S4 helix, is a highly interesting and hotly debated topic in current membrane protein research. It has critical implications for insertion and stabilization of membrane proteins as well as for finding how...... and significant thinning of the membrane also observed in experiments, this provides additional support for the predictive power of microsecond-scale membrane protein simulations....

  15. Investigation on Strengthening Approaches Adopted for Poorly Detailed RC Corbels

    Directory of Open Access Journals (Sweden)

    Ram Chandra Neupane

    2017-05-01

    Full Text Available Poor detailing of the position of bearing pad over reinforced concrete (RC corbel may lead to premature failure, which is undesired and structurally vulnerable. An appropriate retrofitting solution is necessary to ensure the functionality of such RC corbels. Considering the growing popularity of external carbon fiber-reinforced polymer (CFRP in retrofitting, this research examines the effectiveness of an externally wrapped unidirectional CFRP sheet and compares its performance against traditional retrofitting methods. Moreover, it is intended to fulfill the lack of extensive research on external CFRP application for corbel strengthening. A total of eight medium-scale corbel specimens were tested on vertical load. Observed premature failure due to placing the bearing pad near the edge of corbel was verified and the effectiveness of the proposed structural strengthening solutions was studied. Experimental results show that although the loading capacity of the damaged corbel due to the poor detailing of bearing pad position could not be fully recovered, the external CFRP wrapping method demonstrated superior performance over RC jacketing and was able to prevent localized failure. Further study based on non-linear 3D finite element analysis (FEA was carried out to identify the governing parameters of each retrofitting solution. Numerical studies suggested important parameters of various retrofitting alternatives for higher capacity assurance.

  16. Investigation on the thermographic detection of corrosion in RC structures

    Science.gov (United States)

    Tantele, Elia A.; Votsis, Renos A.; Kyriakides, Nicholas; Georgiou, Panagiota G.; Ioannou, Fotia G.

    2017-09-01

    Corrosion of the steel reinforcement is the main problem of reinforced concrete (RC) structures. Over the past decades, several methods have been developed aiming to detect the corrosion process early in order to minimise the structural damage and consequently the repairing costs. Emphasis was given in developing methods and techniques of non-destructive nature providing fast on-the-spot detection and covering large areas rather that concentrating on single locations. This study, investigates a non-destructive corrosion detection technique for reinforced concrete, which is based on infrared thermography and the difference in thermal characteristics of corroded and non-corroded steel rebars. The technique is based on the principle that corrosion products have poor heat conductivity, and they inhibit the diffusion of heat that is generated in the reinforcing bar due to heating. For the investigation RC specimens, have been constructed in the laboratory using embedded steel bars of different corrosion states. Afterward, one surface of the specimens was heated using an electric device while thermal images were captured at predefined time instants on the opposite surface with an IR camera. The test results showed a clear difference between the thermal characteristics of the corroded and the non-corroded samples, which demonstrates the potential of using thermography in corrosion detection in RC structures.

  17. Quasistatic Seismic Damage Indicators for RC Structures from Dissipating Energies in Tangential Subspaces

    Directory of Open Access Journals (Sweden)

    Wilfried B. Krätzig

    2014-01-01

    Full Text Available This paper applies recent research on structural damage description to earthquake-resistant design concepts. Based on the primary design aim of life safety, this work adopts the necessity of additional protection aims for property, installation, and equipment. This requires the definition of damage indicators, which are able to quantify the arising structural damage. As in present design, it applies nonlinear quasistatic (pushover concepts due to code provisions as simplified dynamic design tools. Substituting so nonlinear time-history analyses, seismic low-cycle fatigue of RC structures is approximated in similar manner. The treatment will be embedded into a finite element environment, and the tangential stiffness matrix KT in tangential subspaces then is identified as the most general entry for structural damage information. Its spectra of eigenvalues λi or natural frequencies ωi of the structure serve to derive damage indicators Di, applicable to quasistatic evaluation of seismic damage. Because det KT=0 denotes structural failure, such damage indicators range from virgin situation Di=0 to failure Di=1 and thus correspond with Fema proposals on performance-based seismic design. Finally, the developed concept is checked by reanalyses of two experimentally investigated RC frames.

  18. 3D FE Analysis of RC Beams Externally Strengthened with SRG/SRP Systems

    Directory of Open Access Journals (Sweden)

    Francesco Bencardino

    2016-05-01

    Full Text Available The purpose of this study is to evaluate, through a nonlinear Finite Element (FE analysis, the structural behavior of Reinforced Concrete (RC beams externally strengthened by using Steel Reinforced Grout (SRG and Steel Reinforced Polymer (SRP systems. The parameters taken into account were the external strengthening configuration, with or without U-wrap end anchorages, as well as the strengthening materials. The numerical simulations were carried out by using a three-dimensional (3D FE model. The linear and nonlinear behavior of all materials was modeled by appropriate constitutive laws and the connection between concrete substrate and external reinforcing layer was simulated by means of cohesive surfaces with appropriate bond-slip laws. In order to overcome convergence difficulties, to simulate the quasi-static response of the strengthened RC beams, a dynamic approach was adopted. The numerical results in terms of load-displacement curves, failure modes, and load and strain values at critical stages were validated against some experimental data. As a result, the proposed 3D FE model can be used to predict the structural behavior up to ultimate stage of similar strengthened beams without carrying out experimental tests.

  19. Prediction of RC multi-story construction performance with a new proposed design spectrum approach

    Directory of Open Access Journals (Sweden)

    James Haido

    2016-02-01

    Full Text Available The consideration of novel response spectrum analysis to check the reinforced concrete RC buildings resistance towards the seismic risks in Iraq has not been investigated so far. Due to the increasing of frequent earthquakes with moderate intensity in north of Iraq, caution should be taken into account in building design especially with considering the design codes. Where, there are no specific Iraqi standards of earthquake for building design. Thus, the proposing of new response spectrum relationship matching the properties of Kurdistan region (north of Iraq soil is considered essential with considering of novel stiffness or inertia reduction factors for concrete sections. Present endeavor is devoted to develop new design spectra dynamic analysis of RC multistory building located in Duhok city-Iraq. Influence of proposed concrete section reduction factors on the analysis outcomes has been investigated also. Great role has been observed for introducing of stiffness reduction factors in present seismic analysis represent in magnifying of lateral deformation of building of more than 50%. Proper matching was obtained between current proposed spectrum design outputs and that for other analytical approaches.

  20. A monolithic constant-fraction discriminator using distributed R-C delay-line shaping

    International Nuclear Information System (INIS)

    Simpson, M.L.; Young, G.R.; Xu, M.

    1995-01-01

    A monolithic, CMOS, constant-fraction discriminator (CFD) was fabricated in the Orbit Semiconductor, 1.2 μ N-well process. This circuit uses an on-chip, distributed, R-C delay-line to realize the constant-fraction shaping. The delay-line is constructed from a narrow, 500-μ serpentine layer of polysilicon above a wide, grounded, second layer of polysilicon. This R-C delay-line generates about 1.1 ns of delay for 5 ns risetime signals with a slope degradation of only ≅ 15% and an amplitude reduction of about 6.1%. The CFD also features an automatic walk adjustment. The entire circuit, including the delay line, has a 200 μ pitch and is 950 μ long. The walk for a 5 ns risetime signal was measured as ± 100 ps over the 100:1 dynamic range from -15 mV to -1.5 mV. to -1.5 V. The CFD consumes 15 mW

  1. Dynamic separation of Szilard-Chalmers reaction products applied to the trioxalatochromium ion adsorbed on anionic exchange resin

    International Nuclear Information System (INIS)

    Silva, J.B.S.

    1979-01-01

    A method of dynamic elution of recoiled 51 Cr +3 , formed by the Szilard-Chalmers reaction during the irradiation of trioxalatochromium ion adsorbed on anionic exchange resin is presented. The influence of some factors on the separation yield of chromium-51, such as: composition, concentration and flow rate of eluent, mesh size of the resin and irradiation time are studied. The results are compardd with those obtained by the static method, in which the recoiled atom is separated from the target after irradiation. Because of the high separation yield of chromium-51, the method of dynamic separation is proposed for routine production of this elemnt, with high specific activities. (author) [pt

  2. Spectroscopic investigation of the charge dynamics of heavy ions penetrating solid and gaseous targets

    International Nuclear Information System (INIS)

    Korostiy, S.

    2007-01-01

    This thesis presents the study of the slowing down process of fast heavy ions inside matter. In the framework of this research, the influence of the target density on the stopping process is investigated. Experiments on the interaction of 48 Ca 6+ - 48 Ca 10+ and 26 Mg 5+ ion beams with initial energies of 11.4 MeV/u and 5.9 MeV/u with solid and gaseous targets have been carried out. A novel diagnostic method, X-ray spectroscopy of K-shell projectile radiation, is used to determine the ion charge state in relation to its velocity during the penetration of fast heavy ions inside the stopping material. A spatially resolved analysis of the projectile and target radiation in solids is achieved for the first time. The application of low-density silica aerogels as stopping media provided a stretching of the ion stopping length by 20 - 100 times in comparison with solid quartz. The Doppler Effect observed on the projectile K-shell spectra is used to calculate the ion velocity in dependence on the ion penetration depth in the target material. A comparative analysis of K α spectra of fast heavy ions is performed in solid (silica aerogels) and gaseous targets (Ar and Ne gases) at the same ion energy. It is shown that the dominant role of collisions in dense matter leads to an increase of the effective ionization cross section at high ion velocity and suppression of the electron capture to the projectile ion excited states at low ion velocity. As a result, an increase of the ion charge state in dense matter is observed. The experimentally detected effects are interpreted with numerical calculations of the projectile population kinetics, which are in good agreement with measurements. (orig.)

  3. Dynamics of a reconnection-driven runaway ion tail in a reversed field pinch plasma

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, J. K., E-mail: jkanders@wisc.edu; Kim, J.; Bonofiglo, P. J.; Capecchi, W.; Eilerman, S.; Nornberg, M. D.; Sarff, J. S.; Sears, S. H. [Department of Physics, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States)

    2016-05-15

    While reconnection-driven ion heating is common in laboratory and astrophysical plasmas, the underlying mechanisms for converting magnetic to kinetic energy remain not fully understood. Reversed field pinch discharges are often characterized by rapid ion heating during impulsive reconnection, generating an ion distribution with an enhanced bulk temperature, mainly perpendicular to magnetic field. In the Madison Symmetric Torus, a subset of discharges with the strongest reconnection events develop a very anisotropic, high energy tail parallel to magnetic field in addition to bulk perpendicular heating, which produces a fusion neutron flux orders of magnitude higher than that expected from a Maxwellian distribution. Here, we demonstrate that two factors in addition to a perpendicular bulk heating mechanism must be considered to explain this distribution. First, ion runaway can occur in the strong parallel-to-B electric field induced by a rapid equilibrium change triggered by reconnection-based relaxation; this effect is particularly strong on perpendicularly heated ions which experience a reduced frictional drag relative to bulk ions. Second, the confinement of ions varies dramatically as a function of velocity. Whereas thermal ions are governed by stochastic diffusion along tearing-altered field lines (and radial diffusion increases with parallel speed), sufficiently energetic ions are well confined, only weakly affected by a stochastic magnetic field. High energy ions traveling mainly in the direction of toroidal plasma current are nearly classically confined, while counter-propagating ions experience an intermediate confinement, greater than that of thermal ions but significantly less than classical expectations. The details of ion confinement tend to reinforce the asymmetric drive of the parallel electric field, resulting in a very asymmetric, anisotropic distribution.

  4. Spectroscopic investigation of the charge dynamics of heavy ions penetrating solid and gaseous targets

    Energy Technology Data Exchange (ETDEWEB)

    Korostiy, S

    2007-01-15

    This thesis presents the study of the slowing down process of fast heavy ions inside matter. In the framework of this research, the influence of the target density on the stopping process is investigated. Experiments on the interaction of {sup 48}Ca{sup 6+}-{sup 48}Ca{sup 10+} and {sup 26}Mg{sup 5+} ion beams with initial energies of 11.4 MeV/u and 5.9 MeV/u with solid and gaseous targets have been carried out. A novel diagnostic method, X-ray spectroscopy of K-shell projectile radiation, is used to determine the ion charge state in relation to its velocity during the penetration of fast heavy ions inside the stopping material. A spatially resolved analysis of the projectile and target radiation in solids is achieved for the first time. The application of low-density silica aerogels as stopping media provided a stretching of the ion stopping length by 20 - 100 times in comparison with solid quartz. The Doppler Effect observed on the projectile K-shell spectra is used to calculate the ion velocity in dependence on the ion penetration depth in the target material. A comparative analysis of K{sub {alpha}} spectra of fast heavy ions is performed in solid (silica aerogels) and gaseous targets (Ar and Ne gases) at the same ion energy. It is shown that the dominant role of collisions in dense matter leads to an increase of the effective ionization cross section at high ion velocity and suppression of the electron capture to the projectile ion excited states at low ion velocity. As a result, an increase of the ion charge state in dense matter is observed. The experimentally detected effects are interpreted with numerical calculations of the projectile population kinetics, which are in good agreement with measurements. (orig.)

  5. 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.

  6. 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

  7. 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

  8. Dynamics of plasma ions motion in ultra-intense laser-excited plasma wakes

    International Nuclear Information System (INIS)

    Zhou Suyun; Li Jing

    2013-01-01

    The effects of heavy ions and protons motion in an ultra-intense laser-driven plasma wake are compared by rebuilding a plasma wake model. It is shown that with the same laser and plasma background electron density n 0 , the heavy ions' motion suppresses wake-field resonant excitation less than the protons' motion in their own plasma wake. Though heavy ions obtain more kinetic energy from the plasma wake, its energy density is less than that of the protons due to the ion density being far less than the proton density. As a result, the total energy of heavy ions obtained from the wake-field is far less than that of protons. The dependence of the kinetic energy and the energy density of protons and heavy ions on n 0 is discussed. (paper)

  9. Molecular dynamics study of radiation damage and microstructure evolution of zigzag single-walled carbon nanotubes under carbon ion incidence

    Science.gov (United States)

    Li, Huan; Tang, Xiaobin; Chen, Feida; Huang, Hai; Liu, Jian; Chen, Da

    2016-07-01

    The radiation damage and microstructure evolution of different zigzag single-walled carbon nanotubes (SWCNTs) were investigated under incident carbon ion by molecular dynamics (MD) simulations. The radiation damage of SWCNTs under incident carbon ion with energy ranging from 25 eV to 1 keV at 300 K showed many differences at different incident sites, and the defect production increased to the maximum value with the increase in incident ion energy, and slightly decreased but stayed fairly stable within the majority of the energy range. The maximum damage of SWCNTs appeared when the incident ion energy reached 200 eV and the level of damage was directly proportional to incident ion fluence. The radiation damage was also studied at 100 K and 700 K and the defect production decreased distinctly with rising temperature because radiation-induced defects would anneal and recombine by saturating dangling bonds and reconstructing carbon network at the higher temperature. Furthermore, the stability of a large-diameter tube surpassed that of a thin one under the same radiation environments.

  10. A self-consistent derivation of ion drag and Joule heating for atmospheric dynamics in the thermosphere

    Directory of Open Access Journals (Sweden)

    X. Zhu

    2005-11-01

    Full Text Available The thermosphere is subject to additional electric and magnetic forces, not important in the middle and lower atmosphere, due to its partially ionized atmosphere. The effects of charged particles on the neutral atmospheric dynamics are often parameterized by ion drag in the momentum equations and Joule heating in the energy equation. Presented in this paper are a set of more accurate parameterizations for the ion drag and Joule heating for the neutral atmosphere that are functions of the difference between bulk ion velocity and neutral wind. The parameterized expressions also depend on the magnetic field, the Pedersen and Hall conductivities, and the ratio of the ion cyclotron frequency to the ion-neutral collision frequency. The formal relationship between the electromagnetic energy, atmospheric kinetic energy, and Joule heating is illustrated through the conversion terms between these three types of energy. It is shown that there will always be an accompanying conversion of kinetic energy into Joule heating when electromagnetic energy is generated through the dynamo mechanism of the atmospheric neutral wind. Likewise, electromagnetic energy cannot be fully converted into kinetic energy without producing Joule heating in the thermosphere.

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

    International Nuclear Information System (INIS)

    Moseev, D.

    2011-11-01

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

  12. From many body wee partons dynamics to perfect fluid: a standard model for heavy ion collisions

    Energy Technology Data Exchange (ETDEWEB)

    Venugopalan, R.

    2010-07-22

    We discuss a standard model of heavy ion collisions that has emerged both from experimental results of the RHIC program and associated theoretical developments. We comment briefly on the impact of early results of the LHC program on this picture. We consider how this standard model of heavy ion collisions could be solidified or falsified in future experiments at RHIC, the LHC and a future Electro-Ion Collider.

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

    Energy Technology Data Exchange (ETDEWEB)

    Moseev, D.

    2011-11-15

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

  14. Dynamic volume changes in astrocytes are an intrinsic phenomenon mediated by bicarbonate ion flux.

    Directory of Open Access Journals (Sweden)

    Clare M Florence

    Full Text Available Astrocytes, the major type of non-neuronal cells in the brain, play an important functional role in extracellular potassium ([K(+](o and pH homeostasis. Pathological brain states that result in [K(+](o and pH dysregulation have been shown to cause astrocyte swelling. However, whether astrocyte volume changes occur under physiological conditions is not known. In this study we used two-photon imaging to visualize real-time astrocyte volume changes in the stratum radiatum of the hippocampus CA1 region. Astrocytes were observed to swell by 19.0±0.9% in response to a small physiological increase in the concentration of [K(+](o (3 mM. Astrocyte swelling was mediated by the influx of bicarbonate (HCO(3- ions as swelling was significantly decreased when the influx of HCO(3- was reduced. We found: 1 in HCO(3- free extracellular solution astrocytes swelled by 5.4±0.7%, 2 when the activity of the sodium-bicarbonate cotransporter (NBC was blocked the astrocytes swelled by 8.3±0.7%, and 3 in the presence of an extracellular carbonic anhydrase (CA inhibitor astrocytes swelled by 11.4±0.6%. Because a significant HCO(3- efflux is known to occur through the γ-amino-butyric acid (GABA channel, we performed a series of experiments to determine if astrocytes were capable of HCO(3- mediated volume shrinkage with GABA channel activation. Astrocytes were found to shrink -7.7±0.5% of control in response to the GABA(A channel agonist muscimol. Astrocyte shrinkage from GABA(A channel activation was significantly decreased to -5.0±0.6% of control in the presence of the membrane-permeant CA inhibitor acetazolamide (ACTZ. These dynamic astrocyte volume changes may represent a previously unappreciated yet fundamental mechanism by which astrocytes regulate physiological brain functioning.

  15. Effect of vibrational excitation on the dynamics of ion-molecule reactions

    International Nuclear Information System (INIS)

    Anderson, S.L.

    1981-11-01

    A new experimental technique for the study of vibrational effects on ion-molecule reaction cross sections is described. Vibrational and collision energy dependent cross sections are presented for proton and H atom transfer, charge transfer and collision induced dissociation reactions in various isotopic H 2 + + H 2 systems. Charge and proton transfer cross sections are presented for the reactions of H 2 + and D 2 + with Ar, N 2 , CO, and O 2 . All the reactions are shown to be highly influenced by avoided crossings between the ground and first excited potential energy surfaces. Because of the nature of the crossings, vibrational motion of the systems can cause both adiabatic and non-adiabatic behavior of the system. This makes the vibrational dependences of the various cross sections a very sensitive probe of the dynamics of the collisions particularly, their behavior in the region of the crossings. Evidence is seen for charge transfer between reagents as they approach each other, transition to and in some cases reactions on excited potential energy surfaces, competition between different channels, and strong coupling of proton and charge transfer channels which occurs only for two of the systems studied (H 2 + + Ar, N 2 ). Oscillatory structure is observed in the collision energy dependence of the endoergic H 2 + (v = 0) + Ar charge transfer reaction for the first time, and a simple model which is commonly used for atom-atom charge transfer is used to fit the peaks. Finally a simple model is used to assess the importance of energy resonance and Franck-Condon effects on molecular charge transfer

  16. Theory of collective dynamics: flow, fluctuations and correlations in heavy ion collisions

    Energy Technology Data Exchange (ETDEWEB)

    Denicol, Gabriel S. [Physics Department, Brookhaven National Lab, Building 510A, Upton, NY, 11973 (United States); Department of Physics, McGill University, 3600 University Street, Montreal, Quebec, H3A 2T8 (Canada)

    2016-12-15

    I review recent developments in the hydrodynamic modeling of ultra-relativistic heavy ion collisions and the extraction of the properties of bulk QCD matter from heavy ion collision measurements. I briefly summarize the current framework used for the theoretical modeling of heavy ion collisions and report the recent progress on the extraction of the temperature dependence of the shear and bulk viscosity coefficients, the development of statistical tools for data-to-model comparison, and anisotropic hydrodynamics. All these recent developments in our field pave the way for more quantitative determination of the transport properties of bulk QCD matter from the experimental heavy ion collision program.

  17. Sideband cooling and coherent dynamics in a microchip multi-segmented ion trap

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, Stephan A; Poschinger, Ulrich; Ziesel, Frank; Schmidt-Kaler, Ferdinand [Universitaet Ulm, Institut fuer Quanteninformationsverarbeitung, Albert-Einstein-Allee 11, D-89069 Ulm (Germany)], E-mail: stephan.schulz@uni-ulm.de

    2008-04-15

    Miniaturized ion trap arrays with many trap segments present a promising architecture for scalable quantum information processing. The miniaturization of segmented linear Paul traps allows partitioning the microtrap into different storage and processing zones. The individual position control of many ions-each of them carrying qubit information in its long-lived electronic levels-by the external trap control voltages is important for the implementation of next generation large-scale quantum algorithms. We present a novel scalable microchip multi-segmented ion trap with two different adjacent zones, one for the storage and another dedicated to the processing of quantum information using single ions and linear ion crystals. A pair of radio-frequency-driven electrodes and 62 independently controlled dc electrodes allows shuttling of single ions or linear ion crystals with numerically designed axial potentials at axial and radial trap frequencies of a few megahertz. We characterize and optimize the microtrap using sideband spectroscopy on the narrow S{sub 1/2}{r_reversible}D{sub 5/2} qubit transition of the {sup 40}Ca{sup +} ion, and demonstrate coherent single-qubit Rabi rotations and optical cooling methods. We determine the heating rate using sideband cooling measurements to the vibrational ground state, which is necessary for subsequent two-qubit quantum logic operations. The applicability for scalable quantum information processing is proved.

  18. 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)

  19. Never at rest: insights into the conformational dynamics of ion channels from cryo-electron microscopy.

    Science.gov (United States)

    Lau, Carus; Hunter, Mark J; Stewart, Alastair; Perozo, Eduardo; Vandenberg, Jamie I

    2018-04-01

    The tightly regulated opening and closure of ion channels underlies the electrical signals that are vital for a wide range of physiological processes. Two decades ago the first atomic level view of ion channel structures led to a detailed understanding of ion selectivity and conduction. In recent years, spectacular developments in the field of cryo-electron microscopy have resulted in cryo-EM superseding crystallography as the technique of choice for determining near-atomic resolution structures of ion channels. Here, we will review the recent developments in cryo-EM and its specific application to the study of ion channel gating. We will highlight the advantages and disadvantages of the current technology and where the field is likely to head in the next few years. © 2018 The Authors. The Journal of Physiology © 2018 The Physiological Society.

  20. Application of system-process-goal approach for description of TRIGA RC-1 system

    International Nuclear Information System (INIS)

    Gadomski, Adam M.

    1986-01-01

    The new methodology of the goal oriented description of an artificial system is presented. In the SPG approach (System-Process-Goal) it is assumed that the knowledge necessary for achieving the goal is available but it is not ordered or ordered for other purposes. The aim of SPG is to give the description of the analyzed system in form of network by decomposition of goal-system relationships using uniform and mathematical formalism. The SPG approach is useful to build a reactor operator aid system. This paper presents the conception of the application of the SPG approach to the decomposition of TRIGA RC-1 dynamics and for designing of TRIGA diagnostic algorithms. (author)

  1. Beam dynamics of mixed high intensity highly charged ion Beams in the Q/A selector

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, X.H., E-mail: zhangxiaohu@impcas.ac.cn [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Yuan, Y.J.; Yin, X.J.; Qian, C.; Sun, L.T. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Du, H.; Li, Z.S.; Qiao, J.; Wang, K.D. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zhao, H.W.; Xia, J.W. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2017-06-11

    Electron cyclotron resonance (ECR) ion sources are widely used in heavy ion accelerators for their advantages in producing high quality intense beams of highly charged ions. However, it exists challenges in the design of the Q/A selection systems for mixed high intensity ion beams to reach sufficient Q/A resolution while controlling the beam emittance growth. Moreover, as the emittance of beam from ECR ion sources is coupled, the matching of phase space to post accelerator, for a wide range of ion beam species with different intensities, should be carefully studied. In this paper, the simulation and experimental results of the Q/A selection system at the LECR4 platform are shown. The formation of hollow cross section heavy ion beam at the end of the Q/A selector is revealed. A reasonable interpretation has been proposed, a modified design of the Q/A selection system has been committed for HIRFL-SSC linac injector. The features of the new design including beam simulations and experiment results are also presented.

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

    DEFF Research Database (Denmark)

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

    2016-01-01

    Velocity-space tomography of the fast-ion distribution function in a fusion plasma is usually a photon-starved tomography method due to limited optical access and signal-to-noise ratio of fast-ion Dα (FIDA) spectroscopy as well as the strive for high-resolution images. In high-definition tomography...... information to reconstruct where in velocity space the measurements and the simulation disagree. This alternative approach is demonstrated for four-view as well as for two-view FIDA measurements. The high-definition tomography tools allow us to study fast ions in sawtoothing plasmas and the formation of NBI...

  3. Relativistic quantum dynamics in strong fields: Photon emission from heavy, few-electron ions

    International Nuclear Information System (INIS)

    Fritzsche, S.; Stoehlker, T.

    2005-03-01

    Recent progress in the study of the photon emission from highly-charged heavy ions is reviewed. These investigations show that high-Z ions provide a unique tool for improving the understanding of the electron-electron and electron-photon interaction in the presence of strong fields. Apart from the bound-state transitions, which are accurately described in the framework of quantum electrodynamics, much information has been obtained also from the radiative capture of (quasi-) free electrons by high-Z ions. Many features in the observed spectra hereby confirm the inherently relativistic behavior of even the simplest compound quantum systems in nature. (orig.)

  4. Correlated relativistic dynamics and nuclear effects in dielectronic and visible spectra of highly charged ions

    International Nuclear Information System (INIS)

    Harman, Z.; Artemyev, A.N.; Crespo Lopez-Urrutia, J.R.

    2008-01-01

    Dielectronic recombination and visible emission spectra are investigated theoretically and experimentally. Spectra of x-rays emitted from electron beam ion trap plasmas allow the study of correlation and quantum electrodynamic effects in relativistic few-body systems. In the visible range, exploring the forbidden M1 transitions in Be- and B-like argon ions provides one new insights into the relativistic modelling of isotope shift effects and extend the scope of bound-electron g factor measurements to few-electron ions. (author)

  5. Spin dynamics in the single-ion magnet [Er(W5O18) 2 ] 9 -

    Science.gov (United States)

    Mariani, M.; Borsa, F.; Graf, M. J.; Sanna, S.; Filibian, M.; Orlando, T.; Sabareesh, K. P. V.; Cardona-Serra, S.; Coronado, E.; Lascialfari, A.

    2018-04-01

    In this work we present a detailed NMR and μ+SR investigation of the spin dynamics in the new hydrated sodium salt containing the single-ion magnet [Er(W5O18) 2 ] 9 -. The 1HNMR absorption spectra at various applied magnetic fields present a line broadening on decreasing temperature which indicates a progressive spin freezing of the single-molecule magnetic moments. The onset of quasistatic local magnetic fields, due to spin freezing, is observed also in the muon relaxation curves at low temperature. Both techniques yield a local field distribution of the order of 0.1-0.2 T, which appears to be of dipolar origin. On decreasing the temperature, a gradual loss of the 1HNMR signal intensity is observed, a phenomenon known as wipe-out effect. The effect is analyzed quantitatively on the basis of a simple model which relies on the enhancement of the NMR spin-spin, T2-1, relaxation rate due to the slowing down of the magnetic fluctuations. Measurements of spin-lattice relaxation rate T1-1 for 1HNMR and of the muon longitudinal relaxation rate λ show an increase as the temperature is lowered. However, while for the NMR case the signal is lost before reaching the very slow fluctuation region, the muon spin-lattice relaxation λ can be followed until very low temperatures and the characteristic maximum, reached when the electronic spin fluctuation frequency becomes of the order of the muon Larmor frequency, can be observed. At high temperatures, the data can be well reproduced with a simple model based on a single correlation time τ =τ0exp (Δ /T ) for the magnetic fluctuations. However, to fit the relaxation data for both NMR and μ+SR over the whole temperature and magnetic field range, one has to use a more detailed model that takes into account spin-phonon transitions among the E r3 + magnetic sublevels. A good agreement for both proton NMR and μ+SR relaxation is obtained, which confirms the validity of the energy level scheme previously calculated from an

  6. Some security results of the RC4+ stream cipher

    DEFF Research Database (Denmark)

    Banik, Subhadeep; Jha, Sonu

    2015-01-01

    to any even 8-bit constant other than 0xAA. Therefore, the question that naturally arises is whether the design of RC4+ can be protected by fixing the pad parameter to some constant odd value. In this paper, we try to answer this very question. We show that the design is still vulnerable by mounting...... in terms of number of faults required and the computational complexity. In fact, we reduce the number of faults by around 11264 on average, and our algorithm is around 26 times faster....

  7. Coupled chemical reactions in dynamic nanometric confinement: Ag2O membrane formation during ion track etching

    Czech Academy of Sciences Publication Activity Database

    Hernandez, G. M.; Cruz, S. A.; Quintero, R.; Arellano, H. G.; Fink, Dietmar; Alfonta, L.; Mandabi, Y.; Kiv, A.; Vacík, Jiří

    2013-01-01

    Roč. 168, č. 9 (2013), s. 675-695 ISSN 1042-0150 Institutional support: RVO:61389005 Keywords : track * polymers * etching * chemistry * ions * nanostructure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.603, year: 2013

  8. Trypsin Binding with Copper Ions Scavenges Superoxide: Molecular Dynamics-Based Mechanism Investigation

    Directory of Open Access Journals (Sweden)

    Xin Li

    2018-01-01

    Full Text Available Trypsin is a serine protease, which has been proved to be a novel superoxide scavenger. The burst of superoxide induced by polychlorinated biphenyls can be impeded by trypsin in both wild type and sod knockout mutants of Escherichia coli. The experimental results demonstrated that the activities of superoxide scavenging of trypsin were significantly accelerated by Cu ions. Also, with the addition of Cu ions, a new β-sheet (β7 transited from a random coil in the Cu(II-trypsin (TP system, which was favorable for the formation of more contacts with other sheets of trypsin. Residue–residue network analysis and the porcupine plots proved that the Cu ion in trypsin strengthened some native interactions among residues, which ultimately resulted in much greater stability of the Cu(II-TP system. Moreover, compact and stable trypsin structures with Cu ions might be responsible for significantly provoking the activity of superoxide scavenging.

  9. Effects of ion pairs on the dynamics of erbium doped fiber laser in the inhomogeneous model

    International Nuclear Information System (INIS)

    Keyvaninia, Sh.; Karvar, M.; Bahrampour, A.

    2006-01-01

    In a high concentration erbium doped fiber, the erbium ions are so closed together that the ion pairs and clusters are formed. In such fiber amplifiers, the ion pairs and clusters acting as a saturable absorber are distributed along the fiber laser. The inhomogeneous rate equations for the laser modes in a high-concentration EDFA are written. The governing equations are an uncountable system of partial differential equations. For the first time we introduced an approximation method that the system of partial differential equations is converted to a finite system of ordinary differential equations. The effects of ion pairs concentration on erbium doped fiber are analyzed that is in good agreement whit the experimental result.

  10. Concluding remarks presented at the Symposium on heavy ion reaction dynamics on the tandem energy region

    International Nuclear Information System (INIS)

    Betts, R.R.

    1988-01-01

    This paper discusses the divisions between different heavy ion reaction processes. Fusion, deep inelastic, quasi-elastic and elastic interactions are discussed in terms of coupled channel calculations. 20 refs., 8 figs

  11. Probing of complete and incomplete fusion dynamics in heavy-ion ...

    Indian Academy of Sciences (India)

    2014-04-04

    Apr 4, 2014 ... Heavy-ion induced reactions; complete and incomplete fusion; ... CF reaction the projectile completely fuses with the target nucleus and the highly excited .... input parameters have been used as default except the charge and ...

  12. 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

  13. 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.

  14. 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...

  15. Ultimate capacity and influenced factors analysis of nuclear RC containment subjected to internal pressure

    International Nuclear Information System (INIS)

    Song Chenning; Hou Gangling; Zhou Guoliang

    2014-01-01

    Ultimate compressive bearing capacity, influenced factors and its rules of nuclear RC containment are key problems of safety assessment, accident treatment and structure design, etc. Ultimate compressive bearing capacity of nuclear RC containment is shown by concrete damaged plasticity model and steel double liner model of ABAQUS. The study shows that the concrete of nuclear RC containment cylinder wall becomes plastic when the internal pressure is up to 0.87 MPa, the maximum tensile strain of steel liner exceeds 3000 × 10 6 and nuclear RC containment reaches ultimate status when the internal pressure is up to 1.02 MPa. The result shows that nuclear RC containment is in elastic condition under the design internal pressure and the bearing capacity meets requirement. Prestress and steel liner play key parts in the ultimate internal pressure and failure mode of nuclear RC containment. The study results have value for the analysis of ultimate compressive bearing capacity, structure design and safety assessment. (authors)

  16. Hydration structure and dynamics of a hydroxide ion in water clusters of varying size and temperature: Quantum chemical and ab initio molecular dynamics studies

    International Nuclear Information System (INIS)

    Bankura, Arindam; Chandra, Amalendu

    2012-01-01

    Highlights: ► A theoretical study of hydroxide ion-water clusters is carried for varying cluster size and temperature. ► The structures of OH − (H 2 O) n are found out through quantum chemical calculations for n = 4, 8, 16 and 20. ► The finite temperature behavior of the clusters is studied through ab initio dynamical simulations. ► The spectral features of OH modes (deuterated) and their dependence on hydrogen bonding states of water are discussed. ► The mechanism and kinetics of proton transfer processes in these anionic clusters are also investigated. - Abstract: We have investigated the hydration structure and dynamics of OH − (H 2 O) n clusters (n = 4, 8, 16 and 20) by means of quantum chemical and ab initio molecular dynamics calculations. Quantum chemical calculations reveal that the solvation structure of the hydroxide ion transforms from three and four-coordinated surface states to five-coordinated interior state with increase in cluster size. Several other isomeric structures with energies not very different from the most stable isomer are also found. Ab initio simulations show that the most probable configurations at higher temperatures need not be the lowest energy isomeric structure. The rates of proton transfer in these clusters are found to be slower than that in bulk water. The vibrational spectral calculations reveal distinct features for free OH (deuterated) stretch modes of water in different hydrogen bonding states. Effects of temperature on the structural and dynamical properties are also investigated for the largest cluster considered here.

  17. Numerical model of RC beam response to corrosion

    Science.gov (United States)

    German, Magdalena; Pamin, Jerzy

    2018-01-01

    The chloride-induced corrosion of reinforcement used to be represented by Tuutti's model with initiation and propagation phases. During the initiation phase chlorides penetrate the concrete cover and accumulate around reinforcement bars. The chloride concentration in concrete increases until it reaches a chloride threshold value, causing deterioration of the passive layer of reinforcement. Then the propagation phase begins. During the propagation phase steel has no natural anti-corrosion protection, a corrosion current flows and this induces the production of rust. A growing volume of corrosion products generates stresses in concrete, which leads to cracking, splitting, delamination and loss of strength. The mechanical response of RC elements to reinforcement corrosion has mostly been examined on the basis of a 2D cross-section analysis. However, with this approach it is not possible to represent both corrosion and static loading. In the paper a 3D finite element model of an RC beam with the two actions applied is presented. Rust is represented as an interface between steel and concrete, considering the volumetric expansion of rust.

  18. Seismic performance of masonry-infilled RC frames

    Directory of Open Access Journals (Sweden)

    Mircea Bârnaure

    2016-09-01

    Full Text Available The masonry infill of RC frames structures is generally considered as non-structural. The design of the concrete frames is often made by ignoring the influence of the masonry infill, which is only accounted for its mass. The experience on buildings submitted to earthquakes shows that masonry infill walls completely change the behaviour of bare frames due to increased initial stiffness and low deformability. The way in which masonry infills affect the RC frames members is difficult to predict, as different failure modes can occur either in the masonry or in the surrounding frame. In addition to local effects, the position of the masonry infills at different levels can lead to structural irregularity, with a strong influence on the global seismic response of the building. Less infilled stories, also called soft stories, have a particularly unfavourable behaviour under seismic loads, as frame members at these levels are more susceptible to failure. This paper analyses the differences in the behaviour of bare and infilled frames through numerical modelling. Nonlinear push-over analyses of infilled frames are carried out under in-plane vertical and lateral loading. The infill panels are modelled as equivalent single diagonal struts. Several force-displacements laws are considered for these diagonals.

  19. Strengthening of RC bridge slabs using CFRP sheets

    Directory of Open Access Journals (Sweden)

    Fahmy A. Fathelbab

    2014-12-01

    Full Text Available Many old structures became structurally insufficient to carry the new loading conditions requirements. Moreover, they suffer from structural degradation, reinforcement steel bars corrosion, bad weather conditions…etc. Many official authorities in several countries had recognized many old bridges and buildings as structurally deficient by today’s standards. Due to these reasons, structural strengthening became an essential requirement and different strengthening techniques appeared in market. Fiber Reinforced Polymer (FRP strengthening techniques established a good position among all other techniques, giving excellent structural results, low time required and moderate cost compared with the other techniques. The main purpose of this research is to study analytically the strengthening of a reinforced concrete bridge slabs due to excessive loads, using externally bonded FRP sheets technique. A commercial finite element program ANSYS was used to perform a structural linear and non-linear analysis for strengthened slab models using several schemes of FRP sheets. A parametric study was performed to evaluate analytically the effect of changing both FRP stiffness and FRP schemes in strengthening RC slabs. Comparing the results with control slab (reinforced concrete slab without strengthening it is obvious that attaching FRP sheets to the RC slab increases its capacity and enhances the ductility/toughness.

  20. Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling: Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Maitra, Neepa [Hunter College City University of New York, New York, NY (United States)

    2016-07-14

    This project investigates the accuracy of currently-used functionals in time-dependent density functional theory, which is today routinely used to predict and design materials and computationally model processes in solar energy conversion. The rigorously-based electron-ion dynamics method developed here sheds light on traditional methods and overcomes challenges those methods have. The fundamental research undertaken here is important for building reliable and practical methods for materials discovery. The ultimate goal is to use these tools for the computational design of new materials for solar cell devices of high efficiency.

  1. Three-dimensional ordering of cold ion beams in a storage ring: A molecular-dynamics simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Yuri, Yosuke, E-mail: yuri.yosuke@jaea.go.jp [Takasaki Advanced Radiation Research Institute, Japan Atomic Energy Agency, 1233 Watanuki-machi Takasaki, Gunma 370-1292 Japan (Japan)

    2015-06-29

    Three-dimensional (3D) ordering of a charged-particle beams circulating in a storage ring is systematically studied with a molecular-dynamics simulation code. An ion beam can exhibit a 3D ordered configuration at ultralow temperature as a result of powerful 3D laser cooling. Various unique characteristics of the ordered beams, different from those of crystalline beams, are revealed in detail, such as the single-particle motion in the transverse and longitudinal directions, and the dependence of the tune depression and the Coulomb coupling constant on the operating points.

  2. Multi-level nonlinear modeling verification scheme of RC high-rise wall buildings

    OpenAIRE

    Alwaeli, W.; Mwafy, A.; Pilakoutas, K.; Guadagnini, M.

    2017-01-01

    Earthquake-resistant reinforced concrete (RC) high-rise wall buildings are designed and detailed to respond well beyond the elastic range under the expected earthquake ground motions. However, despite their considerable section depth, in terms of analysis, RC walls are still often treated as linear elements, ignoring the effect of deformation compatibility. Due to the limited number of available comprehensive experimental studies on RC structural wall systems subjected to cycling loading, few...

  3. Electronic structure and dynamics of ordered clusters with ME or RE ions on oxide surface

    Energy Technology Data Exchange (ETDEWEB)

    Kulagin, N.A., E-mail: nkulagin@bestnet.kharkov.u [Kharkiv National University for Radio Electronics, Avenue Shakespeare 6-48, 61045 Kharkiv (Ukraine)

    2011-03-15

    Selected data of ab initio simulation of the electronic structure and spectral properties of either cluster with ions of iron, rare earth or actinium group elements have been presented here. Appearance of doped Cr{sup +4} ions in oxides, Cu{sup +2} in HTSC, Nd{sup +2} in solids has been discussed. Analysis of experimental data for plasma created ordered structures of crystallites with size of about 10{sup -9} m on surface of separate oxides are given, too. Change in the spectroscopic properties of clusters and nano-structures on surface of strontium titanate crystals discussed shortly using the X-ray line spectroscopy experimental results. - Research highlights: External influence and variation of technology induce changes in valence of nl ions in compounds. Wave function of cluster presented as anti-symmetrical set of ions wave functions. The main equation describes the self-consistent field depending on state of all electrons of cluster. Level scheme of Cr{sup 4+} ions in octo- and tetra-site corresponds to doped oxides spectra after treatment. Plasma treatment effects in appearance of systems of unit crystallites with size of about 10{sup -6}-10{sup -9} m.

  4. Electronic structure and dynamics of ordered clusters with ME or RE ions on oxide surface

    International Nuclear Information System (INIS)

    Kulagin, N.A.

    2011-01-01

    Selected data of ab initio simulation of the electronic structure and spectral properties of either cluster with ions of iron, rare earth or actinium group elements have been presented here. Appearance of doped Cr +4 ions in oxides, Cu +2 in HTSC, Nd +2 in solids has been discussed. Analysis of experimental data for plasma created ordered structures of crystallites with size of about 10 -9 m on surface of separate oxides are given, too. Change in the spectroscopic properties of clusters and nano-structures on surface of strontium titanate crystals discussed shortly using the X-ray line spectroscopy experimental results. - Research highlights: → External influence and variation of technology induce changes in valence of nl ions in compounds. → Wave function of cluster presented as anti-symmetrical set of ions wave functions. → The main equation describes the self-consistent field depending on state of all electrons of cluster. → Level scheme of Cr 4+ ions in octo- and tetra-site corresponds to doped oxides spectra after treatment. → Plasma treatment effects in appearance of systems of unit crystallites with size of about 10 -6 -10 -9 m.

  5. Effect of rise-time patterns on dynamics of sheath expansion during plasma immersion ion implantation

    International Nuclear Information System (INIS)

    Huang Yongxian; Tian Xiubo; Yang Shiqin; Fu Ricky; Paul, C.K.

    2007-01-01

    Plasma immersion ion implantation (PIII) has been developed as a low-cost and efficient surface modification technique of irregularly-shaped objects. The effect of six pulse waves with different rise-time patterns on the spatio-temporal evolution of plasma sheath,energy and dose of ion implantation has been simulated by particle-in-cell modeling. Statistical results may be obtained through assuming the Boltzmann distribution of electrons, and solving Poisson and Newton equations for tracing each ion in the plasma sheath. The results show that rise-time pattern has a critical influence on the evolution of plasma sheath. There exists maximum thickness difference of plasma sheath for different waveforms. The acceleration of ions is non-uniform due to the non-uniformity of electrical field strength. The maximum gradient of electrical field appears near the edge of plasma sheath. The results also show that optimization of dose and energy of incident ions may be achieved through modification of rise-time pattern. The numerical simulation of sheath expansion can be effectively used to provide a scientific basis for optimizing the PIII process. (authors)

  6. An enhanced chaotic key-based RC5 block cipher adapted to image encryption

    Science.gov (United States)

    Faragallah, Osama S.

    2012-07-01

    RC5 is a block cipher that has several salient features such as adaptability to process different word lengths with a variable block size, a variable number of rounds and a variable-length secret key. However, RC5 can be broken with various attacks such as correlation attack, timing attack, known plaintext correlation attack and differential attacks, revealing weak security. We aimed to enhance the RC5 block cipher to be more secure and efficient for real-time applications while preserving its advantages. For this purpose, this article introduces a new approach based on strengthening both the confusion and diffusion operations by combining chaos and cryptographic primitive operations to produce round keys with better pseudo-random sequences. Comparative security analysis and performance evaluation of the enhanced RC5 block cipher (ERC5) with RC5, RC6 and chaotic block cipher algorithm (CBCA) are addressed. Several test images are used for inspecting the validity of the encryption and decryption algorithms. The experimental results show the superiority of the suggested enhanced RC5 (ERC5) block cipher to image encryption algorithms such as RC5, RC6 and CBCA from the security analysis and performance evaluation points of view.

  7. Data of evolutionary structure change: 1ONAD-2D3RC [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1ONAD-2D3RC 1ONA 2D3R D C ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAK...WNMQNGKVGTAHIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKT------NALHFMFNQFSKDQKDLILQGDAT... 1ONA D 1ONAD TRVSSN

  8. Hard photons and mesons as probes of heavy ion collision dynamics

    International Nuclear Information System (INIS)

    Metag, V.

    1991-01-01

    Hard photon production in heavy ion collisions has been studied by a large number of groups at various laboratory and a large body of data has been collected. Recent results reviewed are summarized here in a systematics for photon emission. A brief discussion of π 0 -production in heavy ion collisions will be given including first results with the Two Arm Photon spectrometer TAPS obtained at SIS. Furthermore, the new perspectives for the study of compressed nuclear matter by meson emission will be outlined. (orig.)

  9. Doubly versus singly positively charged oxygen ions back-scattered from a silicon surface under dynamic O2+ bombardment

    International Nuclear Information System (INIS)

    Franzreb, Klaus; Williams, Peter; Loerincik, Jan; Sroubek, Zdenek

    2003-01-01

    Mass-resolved (and emission-charge-state-resolved) low-energy ion back-scattering during dynamic O 2 + bombardment of a silicon surface was applied in a Cameca IMS-3f secondary ion mass spectrometry (SIMS) instrument to determine the bombarding energy dependence of the ratio of back-scattered O 2+ versus O + . While the ratio of O 2+ versus O + drops significantly at reduced bombarding energies, O 2+ back-scattered from silicon was still detectable at an impact energy (in the lab frame) as low as about 1.6 keV per oxygen atom. Assuming neutralization prior to impact, O 2+ ion formation in an asymmetric 16 O→ 28 Si collision is expected to take place via 'collisional double ionization' (i.e. by promotion of two outer O 2p electrons) rather than by the production of an inner-shell (O 2s or O 1s) core hole followed by Auger-type de-excitation during or after ejection. A molecular orbital (MO) correlation diagram calculated for a binary 'head-on' O-Si collision supports this interpretation

  10. 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.

  11. Beam dynamics of the Neutralized Drift Compression Experiment-II (NDCX-II),a novel pulse-compressing ion accelerator

    International Nuclear Information System (INIS)

    Friedman, A.; Barnard, J.J.; Cohen, R.H.; Grote, D.P.; Lund, S.M.; Sharp, W.M.; Faltens, A.; Henestroza, E.; Jung, J.-Y.; Kwan, J.W.; Lee, E.P.; Leitner, M.A.; Logan, B.G.; Vay, J.-L.; Waldron, W.L.; Davidson, R.C.; Dorf, M.; Gilson, E.P.; Kaganovich, I.D.

    2009-01-01

    Intense beams of heavy ions are well suited for heating matter to regimes of emerging interest. A new facility, NDCX-II, will enable studies of warm dense matter at ∼1 eV and near-solid density, and of heavy-ion inertial fusion target physics relevant to electric power production. For these applications the beam must deposit its energy rapidly, before the target can expand significantly. To form such pulses, ion beams are temporally compressed in neutralizing plasma; current amplification factors of ∼50-100 are routinely obtained on the Neutralized Drift Compression Experiment (NDCX) at LBNL. In the NDCX-II physics design, an initial non-neutralized compression renders the pulse short enough that existing high-voltage pulsed power can be employed. This compression is first halted and then reversed by the beam's longitudinal space-charge field. Downstream induction cells provide acceleration and impose the head-to-tail velocity gradient that leads to the final neutralized compression onto the target. This paper describes the discrete-particle simulation models (1-D, 2-D, and 3-D) employed and the space-charge-dominated beam dynamics being realized.

  12. Dynamic monitoring of transmembrane potential changes: a study of ion channels using an electrical double layer-gated FET biosensor.

    Science.gov (United States)

    Pulikkathodi, Anil Kumar; Sarangadharan, Indu; Chen, Yi-Hong; Lee, Geng-Yen; Chyi, Jen-Inn; Lee, Gwo-Bin; Wang, Yu-Lin

    2018-03-27

    In this research, we have designed, fabricated and characterized an electrical double layer (EDL)-gated AlGaN/GaN high electron mobility transistor (HEMT) biosensor array to study the transmembrane potential changes of cells. The sensor array platform is designed to detect and count circulating tumor cells (CTCs) of colorectal cancer (CRC) and investigate cellular bioelectric signals. Using the EDL FET biosensor platform, cellular responses can be studied in physiological salt concentrations, thereby eliminating complex automation. Upon investigation, we discovered that our sensor response follows the transmembrane potential changes of captured cells. Our whole cell sensor platform can be used to monitor the dynamic changes in the membrane potential of cells. The effects of continuously changing electrolyte ion concentrations and ion channel blocking using cadmium are investigated. This methodology has the potential to be used as an electrophysiological probe for studying ion channel gating and the interaction of biomolecules in cells. The sensor can also be a point-of-care diagnostic tool for rapid screening of diseases.

  13. Liouville master equation for multielectron dynamics: Neutralization of highly charged ions near a LiF surface

    International Nuclear Information System (INIS)

    Wirtz, Ludger; Reinhold, Carlos O.; Lemell, Christoph; Burgdoerfer, Joachim

    2003-01-01

    We present a simulation of the neutralization of highly charged ions in front of a lithium fluoride surface including the close-collision regime above the surface. The present approach employs a Monte Carlo solution of the Liouville master equation for the joint probability density of the ionic motion and the electronic population of the projectile and the target surface. It includes single as well as double particle-hole (de)excitation processes and incorporates electron correlation effects through the conditional dynamics of population strings. The input in terms of elementary one- and two-electron transfer rates is determined from classical trajectory Monte Carlo calculations as well as quantum-mechanical Auger calculations. For slow projectiles and normal incidence, the ionic motion depends sensitively on the interplay between image acceleration towards the surface and repulsion by an ensemble of positive hole charges in the surface ('trampoline effect'). For Ne 10+ we find that image acceleration is dominant and no collective backscattering high above the surface takes place. For grazing incidence, our simulation delineates the pathways to complete neutralization. In accordance with recent experimental observations, most ions are reflected as neutral or even as singly charged negative particles, irrespective of the charge state of the incoming ions

  14. A MOLECULAR DYNAMICS STUDY ON SLOW ION INTERACTIONS WITH THE POLYCYCLIC AROMATIC HYDROCARBON MOLECULE ANTHRACENE

    NARCIS (Netherlands)

    Postma, J.; Hoekstra, Ronnie; Tielens, A. G. G. M.; Schlathölter, Thomas

    2014-01-01

    Atomic collisions with polycyclic aromatic hydrocarbon (PAH) molecules are astrophysically particularly relevant for collision energies of less than 1 keV. In this regime, the interaction dynamics are dominated by elastic interactions. We have employed a molecular dynamics simulation based on

  15. Ejection dynamics of hydrogen molecular ions from methanol in intense laser fields

    International Nuclear Information System (INIS)

    Okino, T; Furukawa, Y; Liu, P; Ichikawa, T; Itakura, R; Hoshina, K; Yamanouchi, K; Nakano, H

    2006-01-01

    The ejection of hydrogen molecular ions from two-body Coulomb explosion processes of methanol (CH 3 OH, CD 3 OH and CH 3 OD) in an intense laser field (800 nm, 60 fs, 0.2 PW cm -2 ) is investigated by a coincidence momentum imaging method. From the coincidence momentum maps, the ejection processes of hydrogen molecular ions, CH 3 OH 2+ → H m + + CH (3-m) OH + (m = 2, 3), CD 3 OH 2+ → D m + + CH (3-m) OH + (m = 2, 3) and CH 3 OD 2+ → H m + + CH (3-m) OD + (m = 2, 3), are identified. Based on the results obtained with isotopically substituted methanol, the isotope effect on the ejection process of hydrogen molecular ions is discussed. Furthermore, the ejection of H/D exchanged hydrogen molecular ions (HD + , HD 2 + and H 2 D + ) is identified, and the timescales for the H/D exchanging processes are estimated from the extent of anisotropy in the ejection directions

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

    DEFF Research Database (Denmark)

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

    2007-01-01

    ) 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...

  17. Performance of a C{sub 60}{sup +} ion source on a dynamic SIMS instrument

    Energy Technology Data Exchange (ETDEWEB)

    Fahey, Albert J. [Surface and Microanalysis Science Division, National Institute of Standards and Technology, 100 Bureau Dr. Stop 8371, Gaithersburg, MD 20899-8371 (United States)]. E-mail: albert.fahey@nist.gov; Gillen, Greg [Surface and Microanalysis Science Division, National Institute of Standards and Technology, 100 Bureau Dr. Stop 8371, Gaithersburg, MD 20899-8371 (United States); Chi, Peter [Surface and Microanalysis Science Division, National Institute of Standards and Technology, 100 Bureau Dr. Stop 8371, Gaithersburg, MD 20899-8371 (United States); Mahoney, Christine M. [Surface and Microanalysis Science Division, National Institute of Standards and Technology, 100 Bureau Dr. Stop 8371, Gaithersburg, MD 20899-8371 (United States)

    2006-07-30

    An IonOptika C{sub 60}{sup +} ion source has been fitted onto a CAMECA{sup 1} ims-4f. Stable ion beams of C{sub 60}{sup +} and C{sub 60}{sup 2+} have been obtained with typical currents approaching 20nA under conditions that allow for several days of source operation. The beam has been able to be focussed into a spot size of {approx}3{mu}m with an anode voltage of 10keV and scanning ion images have been acquired. We have performed analyses to characterize the performance of C{sub 60}{sup +} and C{sub 60}{sup 2+}. Depth profiles of a Cr-Ni multi-layer and polymer films with C{sub 60}{sup +} have produced excellent results. We have discovered that, under bombardment energies of <12keV on Si, C{sub 60}{sup +} will sputter material from the sample but will also produce deposition at a rate that exceeds the sputter rate. The performance of the source and our experiences with its operation will be discussed and some characteristic analysis data will be shown.

  18. On the Effect of IMF Turning on Ion Dynamics at Mercury

    Science.gov (United States)

    Delcourt, D. C.; Moore, T. E.; Fok, M.-C. H.

    2011-01-01

    We investigate the effect of a rotation of the Interplanetary Magnetic Field (IMF) on the transport of magnetospheric ion populations at Mercury. We focus on ions of planetary origin and investigate their large-scale circulation using three-dimensional single-particle simulations. We show that a nonzero Bx component of the IMF leads to a pronounced asymmetry in the overall circulation pattern . In particular, we demonstrate that the centrifugal acceleration due to curvature of the E x B drift paths is more pronounced in one hemisphere than the other, leading to filling of the magnetospheric lobes and plasma sheet with more or less energetic material depending upon the hemisphere of origin. Using a time-varying electric and magnetic field model, we investigate the response of ions to rapid (a few tens of seconds) re-orientation of the IMF. We show that, for ions with gyroperiods comparable to the field variation time scale, the inductive electric field should lead to significant nonadiabatic energization, up to several hundreds of eVs or a few keVs. It thus appears that IMP turning at Mercury should lead to localized loading of the magnetosphere with energetic material of planetary origin (e.g., Na+).

  19. Ekpyrosis and inflationary dynamics in heavy ion collisions: the role of quantum fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    Dusling, K.; Venugopalan, R.; Gelis, F.

    2011-05-23

    We summarize recent significant progress in the development of a first-principles formalism to describe the formation and evolution of matter in very high energy heavy ion collisions. The key role of quantum fluctuations both before and after a collision is emphasized. Systematic computations are now feasible to address early time isotropization, flow, parton energy loss and the Chiral Magnetic Effect.

  20. Study on fusion potential barrier in heavy ion reactions based on the dynamical model

    International Nuclear Information System (INIS)

    Tian Junlong; Wu Xizhen; Li Zhuxia; Wang Ning; Liu Fuhu

    2004-01-01

    Based on an improved quantum molecular dynamics model the static and dynamic potential in the entrance channel of synthesis of superheavy nuclei are studied. The dependence of the static potential (and driving potential) on mass-asymmetry is obtained. From this study authors find out that the mass-symmetric system seems to be difficult to fuse and the fusing system with the largest driving potential could be the optimal choice of the projectile-target combination. By comparing the static potential barrier with the dynamic one authors find that the latter one is lower than former one obviously, and that the dynamical potential barrier is entrance energy dependent. The maximum and minimum of dynamic potential barriers approach to the diabatic (sudden approximation) and the adiabatic static potential barriers, respectively

  1. Lithium-ion battery capacity fading dynamics modelling for formulation optimization: A stochastic approach to accelerate the design process

    International Nuclear Information System (INIS)

    Tao, Laifa; Cheng, Yujie; Lu, Chen; Su, Yuzhuan; Chong, Jin; Jin, Haizu; Lin, Yongshou; Noktehdan, Azadeh

    2017-01-01

    Highlights: •The model is linked to known physicochemical degradation processes and material properties. •Aging dynamics of various battery formulations can be understood by the proposed model. •Large number of experiments will be reduced to accelerate the battery design process. •This approach can describe batteries under various operating conditions. •The proposed model is simple and easily implemented. -- Abstract: A five-state nonhomogeneous Markov chain model, which is an effective and promising way to accelerate the Li-ion battery design process by investigating the capacity fading dynamics of different formulations during the battery design phase, is reported. The parameters of this model are linked to known physicochemical degradation dynamics and material properties. Herein, the states and behaviors of the active materials in Li-ion batteries are modelled. To verify the efficiency of the proposed model, a dataset from approximately 3 years of cycling capacity fading experiments of various formulations using several different materials provided by Contemporary Amperex Technology Limited (CATL), as well as a NASA dataset, are employed. The capabilities of the proposed model for different amounts (50%, 70%, and 90%) of available experimental capacity data are tested and analyzed to assist with the final design determination for manufacturers. The average relative errors of life cycling prediction acquired from these tests are less than 2.4%, 0.8%, and 0.3%, even when only 50%, 70%, and 90% of the data, respectively, is available for different anode materials, electrolyte materials, and individual batteries. Furthermore, the variance is 0.518% when only 50% of the data are available; i.e., one can save at least 50% of the total experimental time and cost with an accuracy greater than 97% in the design phase, which demonstrates an effective and promising way to accelerate the Li-ion battery design process. The qualitative and quantitative analyses

  2. 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.

  3. Dynamic Electrochemical Impedance Spectroscopy of a Three-Electrode Lithium-Ion Battery during Pulse Charge and Discharge

    International Nuclear Information System (INIS)

    Huang, Jun; Ge, Hao; Li, Zhe; Zhang, Jianbo

    2015-01-01

    Highlights: • Dynamic EIS is performed on a three-electrode pouch cell; • Charge transfer resistance during insertion is generally larger than that during deinsertion due to the surface concentration change; • An inductive behavior is revealed at low frequencies due to the violation of stationary condition in DEIS measurement; • Electrochemical models of a single active particle in both time and frequency domain are developed. • The model predicts a positive correlation between the lower frequency limit and the DC current. - Abstract: The dynamic electrochemical impedance spectroscopy (DEIS) of a three-electrode pouch type lithium-ion battery is measured using a series of sine wave perturbations super-imposed on pulse charge and discharge. The DEIS reveals noticeable differences between charge and discharge at frequencies corresponding to the charge transfer reaction. The charge transfer resistance during intercalation is generally found to be larger than that during deintercalation for the battery chemistry in this study. This result is mainly attributed to the decreased Li ion concentration in the electrolyte during intercalation. At low frequencies, an abnormal inductive behavior is also observed. Such abnormality is found to result from the violation of stationary condition, i.e. the state of the battery under pulse charge or discharge deviates significantly from its initial condition for the perturbation of low frequencies. To analytically define the stationary condition, we develop electrochemical models of a single active particle in both time and frequency domain, which describes the transport of lithium ions in both active particle and electrolyte phase and the interfacial charge transfer reactions at their interface. The lower frequency limit is a key parameter to ensure a quasistationary state during the DEIS measurement. An explicit formulation of the stationary condition predicts a positive correlation between the lower frequency limit and

  4. Design of the RTO/RC ITER primary pumping system

    International Nuclear Information System (INIS)

    Ladd, P.; Ibbott, C; Janeschitz, G.; Martin, E.

    2000-01-01

    The primary pumping system is needed not only to exhaust helium ash resulting from the DT reaction but also excess fuelling gas injected during the fusion burn, which can extend for 100's to 1000's of seconds, and to perform a variety of other functions. The prevailing environmental conditions, principally nuclear radiation, tritium exposure, magnetic fields, and the need for containment, have a significant impact on the design and selection of equipment. This paper presents the design of the Reduced Technical Objectives/Reduced Cost (RTO/RC) ITER primary pumping system with particular emphasis on the nuclear aspects of the design. Component selection and equipment layout issues to meet established requirements for the system are reviewed together with the R and D that is being undertaken to support the design. In addition, serviceability and maintainability issues related to this system are also discussed

  5. Status of blanket design for RTO/RC ITER

    International Nuclear Information System (INIS)

    Yamada, M.; Ioki, K.; Cardella, A.; Elio, F.; Miki, N.

    2000-01-01

    Design has progressed on the FW/blanket for the RTO/RC (reduced technical objective/ reduced cost) ITER. The basic functions and structures are the same as for the 1998 ITER design. However, design and fabrication methods of the FW/blanket have been improved to achieve ∝ 50% reduction of the construction cost compared to that for the 1998 ITER design. Detailed blanket module designs with flat separable FW panels have been developed to reduce the fabrication cost and the future radioactive waste. Most of the R and D performed so far during the EDA (engineering design activity) is still applicable. Further cost reduction methods are also being investigated and additional R and D is being performed. (orig.)

  6. Present and future activities of TRIGA RC-1 Reactor

    International Nuclear Information System (INIS)

    Festinesi, A.

    1986-01-01

    A summary of reactor activities is presented and discussed. The RC-1 reactor is used by ENEA's laboratories, research institutes and national industries for different aims: research, analysis materials behaviour under neutron flux, etc. To satisfy the requests increase it is important to signalize: - the realization of a new radiochemical laboratory for radioisotopes production, to be used in a medical and/or diagnostic field in general; - the realization of a tritium handling laboratory, to study tritium solubility, release and diffusion in different material (particularly in ceramic breeder as lithium aluminate) to support Italian programs on fusion technology; - a research activity on the reactors computerized control by a console of advanced conception. The aim of this activity is the development of an ergonomic control room that could be a reference point for the planning of the power reactor control rooms

  7. EXTERNAL PRESTRESSING OF RC T-BEAMS WITH CFRP TENDONS

    DEFF Research Database (Denmark)

    Bennitz, Anders; Schmidt, Jacob Wittrup; Täljsten, Björn

    2009-01-01

    FRPs is about to become common practice. Several guidelines on the subject have been presented during the last decade, e.g. [1-5]. Next step is to further utilize the excellent behaviour of the advanced material, in particular CFRP (Carbon Fiber Reinforced Polymers). CFRPs have mechanical properties...... capacity could be increased, with a carefully applied compressive stress existing open cracks in concrete may be partly closed and it might also be possible to reduce large deflections. In that way the durability of the entire RC (Reinforced Concrete) -structure can be increased. Application of FRPs......As the acceptance for non-stressed FRP (Fibre Reinforced Polymers) increase steadily in the construction industry, the industries susceptibility for new ideas in the material’s usage increase. Improving the performance of a bridge, a parking garage or a multistory building by the use of appropriate...

  8. Ion association in concentrated NaCl brines from ambient to supercritical conditions: results from classical molecular dynamics simulations

    Directory of Open Access Journals (Sweden)

    Collings Matthew D

    2002-11-01

    Full Text Available Highly concentrated NaCl brines are important geothermal fluids; chloride complexation of metals in such brines increases the solubility of minerals and plays a fundamental role in the genesis of hydrothermal ore deposits. There is experimental evidence that the molecular nature of the NaCl–water system changes over the pressure–temperature range of the Earth's crust. A transition of concentrated NaCl–H2O brines to a "hydrous molten salt" at high P and T has been argued to stabilize an aqueous fluid phase in the deep crust. In this work, we have done molecular dynamic simulations using classical potentials to determine the nature of concentrated (0.5–16 m NaCl–water mixtures under ambient (25°C, 1 bar, hydrothermal (325°C, 1 kbar and deep crustal (625°C, 15 kbar conditions. We used the well-established SPCE model for water together with the Smith and Dang Lennard-Jones potentials for the ions (J. Chem. Phys., 1994, 100, 3757. With increasing temperature at 1 kbar, the dielectric constant of water decreases to give extensive ion-association and the formation of polyatomic (NanClmn-m clusters in addition to simple NaCl ion pairs. Large polyatomic (NanClmn-m clusters resemble what would be expected in a hydrous NaCl melt in which water and NaCl were completely miscible. Although ion association decreases with pressure, temperatures of 625°C are not enough to overcome pressures of 15 kbar; consequently, there is still enhanced Na–Cl association in brines under deep crustal conditions.

  9. Dynamic NMR studies of polymer electrolyte materials for application to lithium-ion batteries and fuel cells

    Science.gov (United States)

    Khalfan, Amish N.

    This dissertation investigates the structural and dynamical properties of polymer electrolyte materials for applications to lithium-ion batteries and fuel cells. The nuclear magnetic resonance (NMR) technique was used to characterize these materials. NMR aids in understanding the local environments of nuclei and the mobility of a molecular/ionic species. Five research projects were carried out, and they have been outlined in this work. NASA has developed rod-coil block copolymers for use as electrolytes in lithium-ion batteries. The copolymers exhibit a microphase separation within their structure leading to the formation of ionically conducting channels. We studied ion transport properties of the copolymers, and determined the predominant mechanism for transport to occur in the amorphous phase. Seven gel polymer electrolytes, each containing a mixture of LiBETI salt and organic solvents, were studied. Two of them incorporated BMI (1-n-butyl-3-methylimidazolium) ionic liquid. Ionic liquids are room temperature molten salts. BMI had been thought to enhance ion mobility. However, the BMI component was observed to restrict ion mobility. Gel polymer electrolytes containing LiTFSI salt and P13TFSI ionic liquid with or without the inclusion of ethylene carbonate (EC) were studied for application to lithium metal/air batteries, which have high theoretical energy densities. The addition of EC was found to improve lithium ion transport. The gels with EC therefore prove to be favorable for use as electrolytes in lithium metal/air batteries. Highly sulfonated poly(arylenethioethersulfone) (SPTES) membranes were examined for use in direct methanol fuel cells (DMFCs) as an alternative to the Nafion membrane. DMFCs use methanol as a fuel instead of reformed hydrogen as in conventional proton exchange membrane fuel cells. Compared to Nafion, the SPTES membranes were shown to retain water better at high temperatures and yield lower methanol diffusion. SPTES membranes with the

  10. Design Optimization of Hybrid FRP/RC Bridge

    Science.gov (United States)

    Papapetrou, Vasileios S.; Tamijani, Ali Y.; Brown, Jeff; Kim, Daewon

    2018-04-01

    The hybrid bridge consists of a Reinforced Concrete (RC) slab supported by U-shaped Fiber Reinforced Polymer (FRP) girders. Previous studies on similar hybrid bridges constructed in the United States and Europe seem to substantiate these hybrid designs for lightweight, high strength, and durable highway bridge construction. In the current study, computational and optimization analyses were carried out to investigate six composite material systems consisting of E-glass and carbon fibers. Optimization constraints are determined by stress, deflection and manufacturing requirements. Finite Element Analysis (FEA) and optimization software were utilized, and a framework was developed to run the complete analyses in an automated fashion. Prior to that, FEA validation of previous studies on similar U-shaped FRP girders that were constructed in Poland and Texas is presented. A finer optimization analysis is performed for the case of the Texas hybrid bridge. The optimization outcome of the hybrid FRP/RC bridge shows the appropriate composite material selection and cross-section geometry that satisfies all the applicable Limit States (LS) and, at the same time, results in the lightest design. Critical limit states show that shear stress criteria determine the optimum design for bridge spans less than 15.24 m and deflection criteria controls for longer spans. Increased side wall thickness can reduce maximum observed shear stresses, but leads to a high weight penalty. A taller cross-section and a thicker girder base can efficiently lower the observed deflections and normal stresses. Finally, substantial weight savings can be achieved by the optimization framework if base and side-wall thickness are treated as independent variables.

  11. Ab initio dynamics and photoionization mass spectrometry reveal ion-molecule pathways from ionized acetylene clusters to benzene cation.

    Science.gov (United States)

    Stein, Tamar; Bandyopadhyay, Biswajit; Troy, Tyler P; Fang, Yigang; Kostko, Oleg; Ahmed, Musahid; Head-Gordon, Martin

    2017-05-23

    The growth mechanism of hydrocarbons in ionizing environments, such as the interstellar medium (ISM), and some combustion conditions remains incompletely understood. Ab initio molecular dynamics (AIMD) simulations and molecular beam vacuum-UV (VUV) photoionization mass spectrometry experiments were performed to understand the ion-molecule growth mechanism of small acetylene clusters (up to hexamers). A dramatic dependence of product distribution on the ionization conditions is demonstrated experimentally and understood from simulations. The products change from reactive fragmentation products in a higher temperature, higher density gas regime toward a very cold collision-free cluster regime that is dominated by products whose empirical formula is (C 2 H 2 ) n + , just like ionized acetylene clusters. The fragmentation products result from reactive ion-molecule collisions in a comparatively higher pressure and temperature regime followed by unimolecular decomposition. The isolated ionized clusters display rich dynamics that contain bonded C 4 H 4 + and C 6 H 6 + structures solvated with one or more neutral acetylene molecules. Such species contain large amounts (>2 eV) of excess internal energy. The role of the solvent acetylene molecules is to affect the barrier crossing dynamics in the potential energy surface (PES) between (C 2 H 2 ) n + isomers and provide evaporative cooling to dissipate the excess internal energy and stabilize products including the aromatic ring of the benzene cation. Formation of the benzene cation is demonstrated in AIMD simulations of acetylene clusters with n > 3, as well as other metastable C 6 H 6 + isomers. These results suggest a path for aromatic ring formation in cold acetylene-rich environments such as parts of the ISM.

  12. Electron spin dynamics and optical orientation of Mn2+ ions in GaAs

    Science.gov (United States)

    Akimov, I. A.; Dzhioev, R. I.; Korenev, V. L.; Kusrayev, Yu. G.; Sapega, V. F.; Yakovlev, D. R.; Bayer, M.

    2013-04-01

    We present an overview of spin-related phenomena in GaAs doped with low concentration of Mn-acceptors (below 1018 cm-3). We use the combination of different experimental techniques such as spin-flip Raman scattering and time-resolved photoluminescence. This allows to evaluate the time evolution of both electron and Mn spins. We show that optical orientation of Mn ions is possible under application of weak magnetic field, which is required to suppress the manganese spin relaxation. The optically oriented Mn2+ ions maintain the spin and return part of the polarization back to the electron spin system providing a long-lived electron spin memory. This leads to a bunch of spectacular effects such as non-exponential electron spin decay and spin precession in the effective exchange fields.

  13. Stimulated Raman scattering and ion dynamics: the role of Langmuir wave non-linearities

    International Nuclear Information System (INIS)

    Bonnaud, G.; Pesme, D.

    1987-01-01

    The saturation of the Stimulated Raman Scattering (SRS) is studied by means of wave-coupling numerical simulations. A new code (CHEOPS) has been designed in order to model these couplings, in real 1-D space, with aperiodic boundary conditions. Each wave can be represented either by a complete amplitude or by an envelope amplitude only. The choice of the wave set to be coupled allows to investigate separately some mechanisms relevant in long time SRS evolution. The various mechanisms which may inhibit SRS growth are reviewed and the SRS saturation scenarios are exhibited in an homogeneous density plasma slab. The ion dependent mechanisms appear to be the most efficient ones to saturate SRS. Their importance is strongly bound to the electron temperature and to the ion fluctuation level at time when SRS has already grown many e-foldings

  14. Stochastic approaches to dynamics of heavy ion collisions, the case of thermal fission

    International Nuclear Information System (INIS)

    Boilley, D.; Abe, Y.

    1994-01-01

    In order to study the influence of fluctuations on various phenomena linked to heavy ion collisions, a Langevin equation has been derived from a microscopic model. Parameters entering this equation are completely determined from microscopic quantities characterizing nuclear matter. This equation has been applied to various phenomena at intermediate energies. This paper focuses on large amplitude motions and especially thermal fission. Fission rate is calculated and compared to experimental results

  15. Beam dynamics and longitudinal instabilities in heavy-ion-fusion induction linacs

    International Nuclear Information System (INIS)

    Lee, E.P.

    1992-01-01

    An induction linac accelerating a high-current pulse of heavy ions at subrelativistic velocities is predicted to exhibit unstable growth of current fluctuations. An overview is given of the mode character, estimates of growth rates, and their application to an IFE driver. The present and projected effort to understand and ameliorate the instability is described. This includes particle-in-cell simulations, calculation and measurements of impedance, and design of feedback controls. (Author) tab., 10 refs

  16. Beam dynamics and longitudinal instabilities in heavy ion fusion induction linacs

    International Nuclear Information System (INIS)

    Lee, E.P.

    1992-08-01

    An induction linac accelerating a high-current pulse of heavy ions at subrelativistic velocities is predicted to exhibit unstable growth of current fluctuations. An overview is given of the mode character, estimates of growth rates, and their application to an IFE driver. The present and projected effort to understand and ameliorate the instability is described. This includes particle-in-cell simulations, calculation and measurements of impedance, and design of feedback controls

  17. Stimulated Raman scattering and ion dynamics: the role of Langmuir wave non-linearities

    International Nuclear Information System (INIS)

    Bonnaud, G.; Pesme, D.

    1988-02-01

    The non-linear evolution of stimulated Raman scattering by coupling of the SRS-driven Langmuir waves to ion acoustic waves is studied numerically, in a homogeneous density laser-irradiated plasma. The coupled wave amplitude behaviour is represented either by envelope equations or by complete wave-like equations. The various physical phenomena which are involved are described. This preliminary work has been presented at the 17th Anomalous Absorption Conference, held in last May, in Lake Tahoe City (USA) [fr

  18. Angle-resolved investigation of ion dynamics in high power impulse magnetron sputtering deposition system

    Czech Academy of Sciences Publication Activity Database

    Čada, Martin; Adámek, Petr; Straňák, V.; Kment, Štěpán; Olejníček, Jiří; Hubička, Zdeněk; Hippler, R.

    2013-01-01

    Roč. 549, DEC (2013), s. 177-183 ISSN 0040-6090 R&D Projects: GA MŠk LD12002 Institutional support: RVO:68378271 Keywords : HiPIMS * titania * Katsumata probe * ion sensitive probe * IVDF * angular resolution Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 1.867, year: 2013 http://www.sciencedirect.com/science/article/pii/S0040609013011127

  19. MASH Test 3-11 on the T131RC Bridge Rail

    Science.gov (United States)

    2012-10-01

    Texas Department of Transportation (TxDOT) currently uses the TxDOT Type T101RC Bridge Rail, : a steel post and beam bridge rail anchored to the top of concrete curbs. The T101RC Bridge Rail is : 27 inches in height and can be anchored to the top of ...

  20. The RC Circuit: An Approach with Fourier Transforms In this article ...

    Indian Academy of Sciences (India)

    CLASSROOM. Mitrajyoti Ghosh. 83, Mitrapara 2nd Lane, Harinavi,. Kolkata 700148, West Bengal,. India. Email: mijospeakingnow@gmail.com. The RC Circuit: An Approach with Fourier Transforms. In this article we shall mathematically analyse the Resistor-. Capacitor (RC) circuit with the help of Fourier transforms. (FT).

  1. Prototype drift chamber for high energy heavy ions with a large dynamic range

    International Nuclear Information System (INIS)

    Kobayashi, T.; Bieser, F.; Crawford, H.; Lindstrom, P.; Baumgartner, M.; Greiner, D.

    1985-01-01

    The authors have constructed and tested a small prototype drift chamber designed for high energy heavy ions. When a drift chamber is used as a tracking detector for heavy projectile fragments from high energy nucleus-nucleus reactions, the major problem comes from the many spurious hits due to delta-rays. Three methods have been developed to solve this problem. The first one is to use a constant fraction discriminator to pick up the timing signal from the core ionization under the large background of delta-rays. The second one is to use pulse height information from the drift chamber to find the cell hit by the heavy ion. The last one is the idea of distributed planes. Modular planes (12 in this case) are distributed 10 cm apart on a rigid base plate to provide accurate relative positioning of the wires. The performance of the prototype chamber has been measured as a function of the high voltage bias and of the charge of the heavy ion from protons up to uranium at around 1 GeV/nucleon

  2. Background and Pickup Ion Velocity Distribution Dynamics in Titan's Plasma Environment: 3D Hybrid Simulation and Comparison with CAPS T9 Observations

    Science.gov (United States)

    Lipatov, A. S.; Sittler, E. C., Jr.; Hartle, R. E.; Cooper, J. F.; Simpson, D. G.

    2011-01-01

    In this report we discuss the ion velocity distribution dynamics from the 3D hybrid simulation. In our model the background, pickup, and ionospheric ions are considered as a particles, whereas the electrons are described as a fluid. Inhomogeneous photoionization, electron-impact ionization and charge exchange are included in our model. We also take into account the collisions between the ions and neutrals. The current simulation shows that mass loading by pickup ions H(+); H2(+), CH4(+) and N2(+) is stronger than in the previous simulations when O+ ions are introduced into the background plasma. In our hybrid simulations we use Chamberlain profiles for the atmospheric components. We also include a simple ionosphere model with average mass M = 28 amu ions that were generated inside the ionosphere. The moon is considered as a weakly conducting body. Special attention will be paid to comparing the simulated pickup ion velocity distribution with CAPS T9 observations. Our simulation shows an asymmetry of the ion density distribution and the magnetic field, including the formation of the Alfve n wing-like structures. The simulation also shows that the ring-like velocity distribution for pickup ions relaxes to a Maxwellian core and a shell-like halo.

  3. Development of an Improved Crack Propagation Model for Corrosion-Induced Cover Cracking in RC Structures

    Science.gov (United States)

    Hilyati, S.; Nizam, Z. M.; Zurisman, M. A. A.; Azhar, A. T. S.

    2017-06-01

    During the last two decades, reinforced concrete (RC) has been extensively used in most of the world as one of the common construction material due to its advantages and durability. However, RC structures exposed to marine environments are subjected to chloride attack. Chlorides from seawater penetrate into RC structures are not only causing severe corrosion problems but also affect the durability and serviceability of such structures. This paper investigates the influence of transverse reinforcement and spacing of reinforcing bars on concrete cover cracking of two-way RC slab specimens using accelerated corrosion tests. The experimental program involved the testing of four RC slab specimens and was generally designed to observe the crack width and the time of crack to propagate. An improved model for predicting the timing of crack propagation based on the experimental data was then developed.

  4. Observation of damage process in RC beams under cucle bending by acoustic emission

    International Nuclear Information System (INIS)

    Shigeishi, Mitsuhiro; Ohtsu, Masayasu; Tsuji, Nobuyuki; Yasuoka, Daisuke

    1997-01-01

    Reinforced concrete (RC) structures are generally applied to construction of buildings and bridges, and are imposed on cyclic loading incessantly. It is considered that detected acoustic emission (AE) waveforms are associated with the damage degree and the fracture mechanisms of RC structures. Therefor, the cyclic bending tests are applied to damaged RC beam specimens. To evaluate the interior of the damaged RC beams, the AE source kinematics are determined by 'SiGMA' procedure for AE moment tensor analysis. By using 'SiGMA' procedure, AE source kinematics, such as source locations, crack types, crack orientations and crack motions, can be identified. The results show the applicability to observation of the fracture process under cyclic bending load and evaluation the degree of damage of RC beam.

  5. Research on the Fatigue Flexural Performance of RC Beams Attacked by Salt Spray

    Science.gov (United States)

    Mao, Jiang-hong; Xu, Fang-yuan; Jin, Wei-liang; Zhang, Jun; Wu, Xi-xi; Chen, Cai-sheng

    2018-04-01

    The fatigue flexural performance of RC beams attacked by salt spray was studied. A testing method involving electro osmosis, electrical accelerated corrosion and salt spray was proposed. This corrosion process method effectively simulates real-world salt spray and fatigue loading exerted by RC components on sea bridges. Four RC beams that have different stress amplitudes were tested. It is found that deterioration by corrosion and fatigue loading reduces the fatigue life of the RC and decreases the ability of deformation. The fatigue life and deflection ability could be reduced by increasing the stress amplitude and the corrosion duration time. The test result demonstrates that this experimental method can couple corrosion deterioration and fatigue loading reasonably. This procedure may be applied to evaluate the fatigue life and concrete durability of RC components located in a natural salt spray environment.

  6. X-ray irradiation of RC-MAP pre-stored for various numbers of days. Effect of X-ray irradiation on RC-MAP and reuse of RC-MAP after irradiation

    International Nuclear Information System (INIS)

    Yamada, Naotomo; Nagumo, Fumio; Kawasaki, Seiji; Matsuzaki, Miwako; Tadano, Jutaro

    1995-01-01

    X-ray irradiation is currently in wide use as a means of preventing post-transfusion graft-versus-host disease (PT-GVHD). In this study, we evaluated the effects of X-ray irradiation on RC-MAP pre-stored for various numbers of days, and assessed how long irradiated RC-MAP can be stored. RC-MAP was irradiated at a dosage of 15 Gy at 1, 7, 14, 21 or 28 days after blood collection. These specimens were referred to as group I, II, III, IV and V (X-ray-irradiated groups), respectively. Non-irradiated RC-MAP was used as the control. Results showed that plasma K concentration increased after X-ray irradiation. It is therefore advisable that RC-MAPs be used immediately in infants and in renal failure. However, to maximize the efficiency of blood product use, it seemed possible that groups I and II could be used within two weeks after irradiation, and group III within one week. On the basis of this increase in K concentration, however, groups IV and V plasma should be used immediately after irradiation. (author)

  7. Restricted lithium ion dynamics in PEO-based block copolymer electrolytes measured by high-field nuclear magnetic resonance relaxation

    Science.gov (United States)

    Huynh, Tan Vu; Messinger, Robert J.; Sarou-Kanian, Vincent; Fayon, Franck; Bouchet, Renaud; Deschamps, Michaël

    2017-10-01

    The intrinsic ionic conductivity of polyethylene oxide (PEO)-based block copolymer electrolytes is often assumed to be identical to the conductivity of the PEO homopolymer. Here, we use high-field 7Li nuclear magnetic resonance (NMR) relaxation and pulsed-field-gradient (PFG) NMR diffusion measurements to probe lithium ion dynamics over nanosecond and millisecond time scales in PEO and polystyrene (PS)-b-PEO-b-PS electrolytes containing the lithium salt LiTFSI. Variable-temperature longitudinal (T1) and transverse (T2) 7Li NMR relaxation rates were acquired at three magnetic field strengths and quantitatively analyzed for the first time at such fields, enabling us to distinguish two characteristic time scales that describe fluctuations of the 7Li nuclear electric quadrupolar interaction. Fast lithium motions [up to O (ns)] are essentially identical between the two polymer electrolytes, including sub-nanosecond vibrations and local fluctuations of the coordination polyhedra between lithium and nearby oxygen atoms. However, lithium dynamics over longer time scales [O (10 ns) and greater] are slower in the block copolymer compared to the homopolymer, as manifested experimentally by their different transverse 7Li NMR relaxation rates. Restricted dynamics and altered thermodynamic behavior of PEO chains anchored near PS domains likely explain these results.

  8. Dynamical effects in heavy ion collisions: neck emission in the Pb + Au system at 29 A.MeV

    International Nuclear Information System (INIS)

    Aboufirassi, M; Bizard, G.; Bougault, R.; Brou, R.; Buta, A.; Colin, J.; Cussol, D.; Durand, D.; Genoux-Lubain, A.; Horn, D.; Kerambrun, A.; Laville, J.L.; Le Brun, C.; Lecolley, J.F.; Lefebvres, F.; Lopez, O.; Louvel, M.; Meslin, C.; Metivier, V.; Nakagawa, T.; Peter, J.; Popescu, R.; Regimbart, R.; Steckmeyer, J.C.; Tamain, B.; Vient, E.; Wieloch, A.; Yuasa-Nakagawa, K.

    1998-01-01

    In the study of the Pb + Au system with the assembly NAUTILUS a special class of events were made evident. Three body complete events have allowed observing a dynamical behavior in the fragment emission. A plot of the correlation between the emission angle and the charges Z 1 and Z 2 of the two fragments associated to the event shows a contribution of an intermediate mass third fragment reflecting a dynamical emission subsequent to the interaction phase between the two partners of the deep inelastic scattering (a phenomenon featuring the neck emission). Such a process has been observed in the Kr + Au at 60 MeV/nucleon and Xe + Cu at 50 MeV/nucleon. The on-going analysis of the Xe + Sn at 50 MeV/nucleon reveals the existence of a similar mechanism. A complete kinematical analysis of this class of events has permitted making evident the impact parameter window, here implied; it is situated for the associated collisions to an reduced impact parameter around 0.8 b max , corresponding to an excitation energy for the bi-nucleus system of the order of 2 MeV/nucleon. This phenomenon may allow to constrain more strongly the models describing the dynamics of the heavy ion collisions, particularly the kinetic models of Landau-Vlasov type. Then, the different mean field potential prescriptions my be tested by comparison with the experimental data

  9. Vibration based structural assessment of the rehabilitation intervention in r.c. segmental bridge

    Directory of Open Access Journals (Sweden)

    Franchetti Paolo

    2015-01-01

    Full Text Available A vibration based structural assessment campaign was carried out on a r.c. segmental bridge in North East Italy. The bridge has a cantilever static scheme, fixed at the top of the piers and with a hinge at the centre of the span. The particular configuration of the hinge consists in a couple of steel elements, each one composed by a tongue and groove joint. Since the year 1960, the hinge was subjected to consumption and degradation, that caused a malfunctioning of the device. An intervention of rehabilitation of the bridge led to a reinforcement of the existing hinges with the coupling of new metallic devices: new tongue and groove hinges were applied, that by one side allow the horizontal displacements and rotation, by the other side strongly reduce the relative vertical displacements of the two parts of the bridge. A dynamic test campaign was set up in order to assess the effectiveness of the intervention. The principal dynamic parameters were calculated and analysed with respect to the intervention that was realized. The tests clearly showed the effectiveness of the intervention, and helped the designer to have a better understanding of the structural behaviour of the bridge.

  10. Simulation of Shear and Bending Cracking in RC Beam: Material Model and its Application to Impact

    Science.gov (United States)

    Mokhatar, S. N.; Sonoda, Y.; Zuki, S. S. M.; Kamarudin, A. F.; Noh, M. S. Md

    2018-04-01

    This paper presents a simple and reliable non-linear numerical analysis incorporated with fully Lagrangian method namely Smoothed Particle Hydrodynamics (SPH) to predict the impact response of the reinforced concrete (RC) beam under impact loading. The analysis includes the simulation of the effects of high mass low-velocity impact load falling on beam structures. Three basic ideas to present the localized failure of structural elements are: (1) the accurate strength of concrete and steel reinforcement during the short period (dynamic), Dynamic Increase Factor (DIF) has been employed for the effect of strain rate on the compression and tensile strength (2) linear pressure-sensitive yield criteria (Drucker-Prager type) with a new volume dependent Plane-Cap (PC) hardening in the pre-peak regime is assumed for the concrete, meanwhile, shear-strain energy criterion (Von-Mises) is applied to steel reinforcement (3) two kinds of constitutive equation are introduced to simulate the crushing and bending cracking of the beam elements. Then, these numerical analysis results were compared with the experimental test results.

  11. CALCULATION OF FLUENCE-TO-EFFECTIVE DOSE CONVERSION COEFFICIENTS FOR THE OPERATIONAL QUANTITY PROPOSED BY ICRU RC26.

    Science.gov (United States)

    Endo, Akira

    2017-07-01

    Fluence-to-effective dose conversion coefficients have been calculated for photons, neutrons, electrons, positrons, protons, muons, pions and helium ions for various incident angles of radiations. The aim of this calculation is to provide a set of conversion coefficients to the Report Committee 26 (RC26) of the International Commission on Radiation Units and Measurements (ICRU) for use in defining personal dose equivalent for individual monitoring. The data sets comprise effective dose conversion coefficients for incident angles of radiations from 0° to ±90° in steps of 15° and at ±180°. Conversion coefficients for rotational, isotropic, superior hemisphere semi-isotropic and inferior hemisphere semi-isotropic irradiations are also included. Numerical data of the conversion coefficients are presented as supplementary data. The conversion coefficients are used to define the personal dose equivalent, which is being considered by the ICRU RC26, as the operational quantity for individual monitoring. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  12. Dynamical vs. geometric anisotropy in relativistic heavy-ion collisions. Which one prevails?

    Energy Technology Data Exchange (ETDEWEB)

    Bravina, L.V. [University of Oslo, Department of Physics, Oslo (Norway); National Research Nuclear University ' ' MEPhI' ' (Moscow Engineering Physics Institute), Moscow (Russian Federation); Lokhtin, I.P.; Malinina, L.V.; Petrushanko, S.V.; Snigirev, A.M. [Lomonosov Moscow State University, Skobeltsyn Institute of Nuclear Physics, Moscow (Russian Federation); Zabrodin, E.E. [Lomonosov Moscow State University, Skobeltsyn Institute of Nuclear Physics, Moscow (Russian Federation); University of Oslo, Department of Physics, Oslo (Norway); National Research Nuclear University ' ' MEPhI' ' (Moscow Engineering Physics Institute), Moscow (Russian Federation)

    2017-11-15

    We study the influence of geometric and dynamical anisotropies on the development of flow harmonics and, simultaneously, on the second- and third-order oscillations of femtoscopy radii. The analysis is done within the Monte Carlo event generator HYDJET++, which was extended to dynamical triangular deformations. It is shown that the merely geometric anisotropy provides the results which anticorrelate with the experimental observations of either v{sub 2} (or v{sub 3}) or second-order (or third-order) oscillations of the femtoscopy radii. Decays of resonances significantly increase the emitting areas but do not change the phases of the radii oscillations. In contrast to the spatial deformations, the dynamical anisotropy alone provides the correct qualitative description of the flow and the femtoscopy observables simultaneously. However, one needs both types of the anisotropy to match quantitatively the experimental data. (orig.)

  13. Nonlinear dynamics of circularly polarized laser pulse propagating in a magnetized plasma with superthermal ions and mixed nonthermal high-energy tail electrons distributions

    Energy Technology Data Exchange (ETDEWEB)

    Etemadpour, R.; Dorranian, D., E-mail: doran@srbiau.ac.ir [Laser Laboratory, Plasma Physics Research Center, Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Sepehri Javan, N. [Department of Physics, University of Mohaghegh Ardabili, P.O. Box 179, Ardabil (Iran, Islamic Republic of)

    2016-05-15

    The nonlinear dynamics of a circularly polarized laser pulse propagating in the magnetized plasmas whose constituents are superthermal ions and mixed nonthermal high-energy tail electrons is studied theoretically. A nonlinear equation which describes the dynamics of the slowly varying amplitude is obtained using a relativistic two-fluid model. Based on this nonlinear equation and taking into account some nonlinear phenomena such as modulational instability, self-focusing and soliton formation are investigated. Effect of the magnetized plasma with superthermal ions and mixed nonthermal high-energy tail electrons on these phenomena is considered. It is shown that the nonthermality and superthermality of particles can substantially change the nonlinearity of medium.

  14. Nonlinear dynamics of circularly polarized laser pulse propagating in a magnetized plasma with superthermal ions and mixed nonthermal high-energy tail electrons distributions

    International Nuclear Information System (INIS)

    Etemadpour, R.; Dorranian, D.; Sepehri Javan, N.

    2016-01-01

    The nonlinear dynamics of a circularly polarized laser pulse propagating in the magnetized plasmas whose constituents are superthermal ions and mixed nonthermal high-energy tail electrons is studied theoretically. A nonlinear equation which describes the dynamics of the slowly varying amplitude is obtained using a relativistic two-fluid model. Based on this nonlinear equation and taking into account some nonlinear phenomena such as modulational instability, self-focusing and soliton formation are investigated. Effect of the magnetized plasma with superthermal ions and mixed nonthermal high-energy tail electrons on these phenomena is considered. It is shown that the nonthermality and superthermality of particles can substantially change the nonlinearity of medium.

  15. Simulations of longitudinal beam dynamics of space-charge dominated beams for heavy ion fusion

    International Nuclear Information System (INIS)

    Miller, D.A.C.

    1994-12-01

    The longitudinal instability has potentially disastrous effects on the ion beams used for heavy ion driven inertial confinement fusion. This instability is a open-quotes resistive wallclose quotes instability with the impedance coining from the induction modules in the accelerator used as a driver. This instability can greatly amplify perturbations launched from the beam head and can prevent focusing of the beam onto the small spot necessary for fusion. This instability has been studied using the WARPrz particle-in-cell code. WARPrz is a 2 1/2 dimensional electrostatic axisymmetric code. This code includes a model for the impedance of the induction modules. Simulations with resistances similar to that expected in a driver show moderate amounts of growth from the instability as a perturbation travels from beam head to tail as predicted by cold beam fluid theory. The perturbation reflects off the beam tail and decays as it travels toward the beam head. Nonlinear effects cause the perturbation to steepen during reflection. Including the capacitive component of the, module impedance. has a partially stabilizing effect on the longitudinal instability. This reduction in the growth rate is seen in both cold beam fluid theory and in simulations with WARPrz. Instability growth rates for warm beams measured from WARPrz are lower than cold beam fluid theory predicts. Longitudinal thermal spread cannot account for this decrease in the growth rate. A mechanism for coupling the transverse thermal spread to decay of the longitudinal waves is presented. The longitudinal instability is no longer a threat to the heavy ion fusion program. The simulations in this thesis have shown that the growth rate for this instability will not be as large as earlier calculations predicted

  16. Heliospheric pick-up ions influencing thermodynamics and dynamics of the distant solar wind

    Directory of Open Access Journals (Sweden)

    H. J. Fahr

    2002-01-01

    Full Text Available Neutral interstellar H-atoms penetrate into the inner heliosphere and upon the event of ionization are converted into pick-up ions (PUIs. The magnetized solar wind flow incorporates these ions into the plasma bulk and enforces their co-motion. By nonlinear interactions with wind-entrained Alfvén waves, these ions are then processed in the comoving velocity space. The complete pick-up process is connected with forces acting back to the original solar wind ion flow, thereby decelerating and heating the solar wind plasma. As we show here, the resulting deceleration cannot be treated as a pure loading effect, but requires adequate consideration of the action of the pressure of PUI-scattered waves operating by the PUI pressure gradient. Hereby, it is important to take into proper account the stochastic acceleration which PUIs suffer from at their convection out of the inner heliosphere by quasi-linear interactions with MHD turbulences. Only then can the presently reported VOYAGER observations of solar wind decelerations and heatings in the outer heliosphere be understood in view of the most likely values of interstellar gas parameters, such as an H-atom density of 0.12 cm-3 . Solar wind protons (SWPs appear to be globally heated in their motion to larger solar distances. Ascribing the needed heat transfer to the action of suprathermal PUIs, which drive MHD waves that are partly absorbed by SWPs, in order to establish the observed SWP polytropy, we can obtain a quantitative expression for the solar wind proton pressure as a function of solar distance. This expression clearly shows the change from an adiabatic to a quasi-polytropic SWP behaviour with a decreasing polytropic index at increasing distances. This also allows one to calculate the average percentage of initial pick-up energy fed into the thermal proton energy. In a first order evaluation of this expression, we can estimate that about 10% of the initial PUI injection energy is eventually

  17. Longitudinal dynamics and stability in beams for heavy-ion fusion

    International Nuclear Information System (INIS)

    Sharp, W.M.; Callahan, D.A.; Grote, D.P.

    1996-01-01

    Successful transport of induction-driven beams for heavy-ion fusion requires careful control of the longitudinal space charge. The usual control technique is the periodic application of time-varying longitudinal electric fields, called 'ears', that on the average, balance the space-charge field. this technique is illustrated using a fluid/envelope code CIRCE, and the sensitivity of the method to errors in these ear fields is illustrated. The possibility that periodic ear fields also excite the longitudinal instability is examined

  18. Developing models for simulation of pinched-beam dynamics in heavy ion fusion. Revision 1

    International Nuclear Information System (INIS)

    Boyd, J.K.; Mark, J.W.K.; Sharp, W.M.; Yu, S.S.

    1984-01-01

    For heavy-ion fusion energy applications, Mark and Yu have derived hydrodynamic models for numerical simulation of energetic pinched-beams including self-pinches and external-current pinches. These pinched-beams are applicable to beam propagation in fusion chambers and to the US High Temperature Experiment. The closure of the Mark-Yu model is obtained with adiabatic assumptions mathematically analogous to those of Chew, Goldberger, and Low for MHD. Features of this hydrodynamic beam model are compared with a kinetic treatment

  19. 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

  20. Freeze-out dynamics in heavy-ion collisions: Recent advances

    Indian Academy of Sciences (India)

    2015-05-01

    May 1, 2015 ... a renewed interest in the dynamics of the bulk hadron production, revived old ideas and .... that these numbers are crude approximations and only have an illustrative purpose. ... the order of 5 pm, mostly due to the large molecular mass. ... apparent full chemical equilibrium of strange particle abundances.

  1. Nanojets, Electrospray, and Ion Field Evaporation: Molecular Dynamics Simulations and Laboratory Experiments

    Science.gov (United States)

    2008-07-22

    Eft (d) (otherwise Coulomb fission occurs), and the solute residue diameter is less than the critical diameter at which E\\ = ER(</); i.e., in the...12 / tap " Figure 10. Atomic configurations taken from a molecular dynamics simulation of a 10 nm formamide droplet prior to and after the

  2. Nanojets, Electrospray, and Ion Field Evaporation: Molecular Dynamics Simulations and Laboratory Experiments

    National Research Council Canada - National Science Library

    Luedtke, W. D; Landman, Uzi; Chiu, Y. H; Levandier, D. J; Dressler, R. A; Sok, S; Gordon, M. S

    2008-01-01

    ... experiment and using molecular dynamics (MD) simulations. The electrospray source is operated in a Taylor cone-jet mode, with the nanojet that forms being characterized by high surface-normal electric field strengths in the vicinity of I V/nm...

  3. Metal-ion induced amplification of three receptors from dynamic combinatorial libraries of peptide-hydrazones

    NARCIS (Netherlands)

    Roberts, Sarah L.; Furlan, Ricardo L.E.; Otto, Sijbren; Sanders, Jeremy K.M.

    2003-01-01

    Three building blocks of general structure (MeO)2CH–aromatic linker–Pro–amino acid–NHNH2 have been prepared and tested in acid-catalysed dynamic combinatorial libraries. Exposure of these libraries to LiI and NaI led to the amplification of three macrocyclic pseudopeptide receptors. The receptors

  4. A molecular dynamics computer simulation of the time dependence of surface damage production in ion irradiated metal targets

    International Nuclear Information System (INIS)

    Webb, R.P.; Harrison, D.E.

    1984-01-01

    Molecular dynamics computer simulations have been used to study the development of ion-induced cascades in the surface region of an initially perfect single crystal metal target. A 16 mm movie has been produced to show the temporal progress of individual cascades. The cascades can then be seen to be formed from a few high energy primary knock-on initiated replacement collision sequences which overlap to form the more usual interpretation of a mature collision cascade. However, it is before the collision cascade has matured, and while the replacement sequences are spreading, that the majority of atoms (> 80%) are ejected. These qualitative observations are also upheld more quantatively in a global average, over many cascades, of the ejection time of each atom. This gives rise to the appearance of a statistical ejection front which propagates radially outwards, from the impact point on the crystal surface, with a well defined velocity. (author)

  5. Molecular dynamics with phase-shift-based electronic stopping for calibration of ion implantation profiles in crystalline silicon

    International Nuclear Information System (INIS)

    Chan, H.Y.; Nordlund, K.; Gossmann, H.-J.L.; Harris, M.; Montgomery, N.J.; Mulcahy, C.P.A.; Biswas, S.; Srinivasan, M.P.; Benistant, F.; Ng, C.M.; Chan, Lap

    2006-01-01

    Prediction of the final dopant positions after ion implantation has always been strongly influenced by the choice of stopping models. A molecular dynamics (MD) method is used in this work; the nuclear stopping is treated by accurate pair potentials calculated by density functional theory (DFT). The slowing down due to collisions with electrons will be described by both a non-local semi-empirical model and a local model based on Fermi level phase shift factors. Comparisons with experimental data using both models show that a local pair-specific electronic stopping model is essential in accurately predicting range profiles for any element even at low implant energies where nuclear effects are dominant

  6. Finite-temperature dynamic structure factor of the spin-1 XXZ chain with single-ion anisotropy

    Science.gov (United States)

    Lange, Florian; Ejima, Satoshi; Fehske, Holger

    2018-02-01

    Improving matrix-product state techniques based on the purification of the density matrix, we are able to accurately calculate the finite-temperature dynamic response of the infinite spin-1 XXZ chain with single-ion anisotropy in the Haldane, large-D , and antiferromagnetic phases. Distinct thermally activated scattering processes make a significant contribution to the spectral weight in all cases. In the Haldane phase, intraband magnon scattering is prominent, and the on-site anisotropy causes the magnon to split into singlet and doublet branches. In the large-D phase response, the intraband signal is separated from an exciton-antiexciton continuum. In the antiferromagnetic phase, holons are the lowest-lying excitations, with a gap that closes at the transition to the Haldane state. At finite temperatures, scattering between domain-wall excitations becomes especially important and strongly enhances the spectral weight for momentum transfer π .

  7. Selective Metal-Ion-Mediated Vesicle Adhesion Based on Dynamic Self-Organization of a Pyrene-Appended Glutamic Acid.

    Science.gov (United States)

    Xing, Pengyao; Wang, Yajie; Yang, Minmin; Zhang, Yimeng; Wang, Bo; Hao, Aiyou

    2016-07-13

    Vesicles with dynamic membranes provide an ideal model system for investigating biological membrane activities, whereby vesicle aggregation behaviors including adhesion, fusion, fission, and membrane contraction/extension have attracted much attention. In this work we utilize an aromatic amino acid (pyrene-appended glutamic acid, PGlu) to prepare nanovesicles that aggregate to form vesicle clusters selectively induced by Fe(3+) or Cu(2+), and the vesicles transform into irregular nano-objects when interacting with Al(3+). Vesicle clusters have better stability than pristine vesicles, which hinders the spontaneous morphological transformation from vesicles into lamellar nanosheets with long incubation period. The difference between complexation of Fe(3+) and Al(3+) with vesicles was studied by various techniques. On the basis of metal ion-vesicle interactions, this self-assembled nanovesicle system also behaves as an effective fluorescent sensor for Fe(3+) and Al(3+), which cause fluorescence quenching and enhanced excimer emission, respectively.

  8. Dynamic model of ion and water transport in ionic polymer-metal composites

    Directory of Open Access Journals (Sweden)

    Zicai Zhu

    2011-12-01

    Full Text Available In the process of electro-mechanical transduction of ionic polymer-metal composites (IPMCs, the transport of ion and water molecule plays an important role. In this paper, the theoretical transport models of IPMCs are critically reviewed, with particular emphasis on the recent developments in the latest decade. The models can be divided into three classes, thermodynamics of irreversible process model, frictional model and Nernst-Planck (NP equation model. To some extent the three models can be transformed into each other, but their differences are also obvious arising from the various mechanisms that considered in different models. The transport of ion and water molecule in IPMCs is compared with that in membrane electrode assembly and electrodialysis membrane to identify and clarify the fundamental transport mechanisms in IPMCs. And an improved transport model is proposed and simplified for numerical analysis. The model considers the convection effect rather than the diffusion as the major transport mechanism, and both the self-diffusion and the electroosmosis drag are accounted for in the water flux equation.

  9. East-west ion drifts at mid-latitudes observed by Dynamics Explorer 2

    International Nuclear Information System (INIS)

    Heelis, R.A.; Coley, W.R.

    1992-01-01

    Zonal ion drifts measured from the polar orbiting DE 2 spacecraft are examined to determine the effects of dynamo electric fields and penetration of high latitude electric fields at middle latitudes. Construction of a local time distribution from satellite data results in a mixture of local time and season as well as a range of magnetic activity encompassing Kp ≤ 2 and Kp ≥ 3. Thus some combination of magnetospheric effects, expected to dominate during disturbed times, are seen during both quiet and disturbed times and solar tidal influences are most easily observed during quiet times. During quiet times, at invariant latitudes near 25 degrees, the solar diurnal tide dominates the local time distribution of the ion drift. At latitudes above 50 degrees a diurnal component of comparable magnitude is also present, but its magnetospheric origin produces a shift in phase of almost 180 degrees from the lower latitude diurnal tide. In the intervening region, between 20 degrees and 50 degrees invariant latitude, semidurnal and terdiurnal components in the local time distribution of the drift velocity are also seen. These components are generally larger than those seen by ground based radars during quiet times and may be attributable in part to a difference in solar activity and in part to a combination of the solar tides and magnetospheric penetration fields

  10. Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

    Science.gov (United States)

    Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

    2017-01-01

    Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries. PMID:28443608

  11. Molecular dynamics simulations with electronic stopping can reproduce experimental sputtering yields of metals impacted by large cluster ions

    Science.gov (United States)

    Tian, Jiting; Zhou, Wei; Feng, Qijie; Zheng, Jian

    2018-03-01

    An unsolved problem in research of sputtering from metals induced by energetic large cluster ions is that molecular dynamics (MD) simulations often produce sputtering yields much higher than experimental results. Different from the previous simulations considering only elastic atomic interactions (nuclear stopping), here we incorporate inelastic electrons-atoms interactions (electronic stopping, ES) into MD simulations using a friction model. In this way we have simulated continuous 45° impacts of 10-20 keV C60 on a Ag(111) surface, and found that the calculated sputtering yields can be very close to the experimental results when the model parameter is appropriately assigned. Conversely, when we ignore the effect of ES, the yields are much higher, just like the previous studies. We further expand our research to the sputtering of Au induced by continuous keV C60 or Ar100 bombardments, and obtain quite similar results. Our study indicates that the gap between the experimental and the simulated sputtering yields is probably induced by the ignorance of ES in the simulations, and that a careful treatment of this issue is important for simulations of cluster-ion-induced sputtering, especially for those aiming to compare with experiments.

  12. From e+e- to Heavy Ion Collisions - Proceedings of the XXX International Symposium on Multiparticle Dynamics

    Science.gov (United States)

    Csörgő, Tamás Hegyi, Sándor Kittel, Wolfram

    moments * QCD and multiplicity scaling * RELATIVISTIC HEAVY ION COLLISIONS - EXPERIMENT * Introduction to multiparticle dynamics at RHIC * First results from the STAR experiment at RHIC * Preliminary results from the PHENIX experiment at RHIC * Forward energy and multiplicity in Au-Au reactions at √ {s_{nn} } = 130{text{GeV}} * Results from the PHOBOS experiment on Au+Au collisions at RHIC * Strangeness production in Pb-Pb collisions at the CERN SPS: Results from the WA97 experiment * Direct photon production in 158A GeV 208Pb+208Pb collisions * Search for critical phenomena in Pb+Pb collisions * Recent NA49 results on Pb+Pb collisions at CERN SPS * J/ψ suppression in Pb+Pb collisions at CERN SPS * RELATIVISTIC HEAVY ION COLLISIONS - THEORY * Hyperon ratios at RHIC and the coalescence predictions at mid-rapidity * Dynamics of nuclear collisions and the dependence of the onset of anomalous J/ψ suppression on nucleon numbers of colliding nuclei * Multi-boson effects in Bose-Einstein interferometry * The source of the "third flow component" * Collective flow and multiparticle azimuthal correlations * Microscopic strangeness enhancement mechanisms at the SPS * Jet quenching at finite opacity and its application at RHIC energy * Particle rapidity density and collective phenomena in heavy ion collisions * Elliptic flow from an on-shell parton cascade * Dilepton production in ultrarelativistic heavy ion collisions * Coulomb and core/halo corrections to Bose-Einstein n-particle correlations * CP VIOLATION IN MULTIPARTICLE DYNAMICS * New results from NA48 experiment on neutral kaon rare decays * Measurement of direct CP violation by the NA48 experiment at CERN * Aspects of parity, CP, and time reversal violation in hot QCD * Decay of parity odd bubbles * Parity and time reversal studies at RHIC * Constraining CP-violating TGCS and measuring W-polarization at OPAL * Buckyballs of QCD: Gluon junction networks * List of participants

  13. Dynamics of a confined dusty fluid in a sheared ion flow

    Energy Technology Data Exchange (ETDEWEB)

    Laishram, Modhuchandra; Sharma, Devendra; Kaw, Predhiman K. [Institute for Plasma Research, Bhat, Gandhinagar 382428 (India)

    2014-07-15

    Dynamics of an isothermally driven dust fluid is analyzed which is confined in an azimuthally symmetric cylindrical setup by an effective potential and is in equilibrium with an unconfined sheared flow of a streaming plasma. Cases are analyzed where the confining potential constitutes a barrier for the driven fluid, limiting its spatial extension and boundary velocity. The boundary effects entering the formulation are characterized by applying the appropriate boundary conditions and a range of solutions exhibiting single and multiple vortex are obtained. The equilibrium solutions considered in the cylindrical setup feature a transition from single to multiple vortex state of the driven flow. Effects of (i) the variation in dust viscosity, (ii) coupling between the driving and the driven fluid, and (iii) a friction determining the equilibrium dynamics of the driven system are characterized.

  14. Enhanced resistance to stripe rust disease in transgenic wheat expressing the rice chitinase gene RC24.

    Science.gov (United States)

    Huang, Xuan; Wang, Jian; Du, Zhen; Zhang, Chen; Li, Lan; Xu, Ziqin

    2013-10-01

    Stripe rust is a devastating fungal disease of wheat worldwide which is primarily caused by Puccinia striiformis f. sp tritici. Transgenic wheat (Triticum aestivum L.) expressing rice class chitinase gene RC24 were developed by particle bombardment of immature embryos and tested for resistance to Puccinia striiformis f.sp tritici. under greenhouse and field conditions. Putative transformants were selected on kanamycin-containing media. Polymease chain reaction indicated that RC24 was transferred into 17 transformants obtained from bombardment of 1,684 immature embryos. Integration of RC24 was confirmed by Southern blot with a RC24-labeled probe and expression of RC24 was verified by RT-PCR. Nine transgenic T1 lines exhibited enhanced resistance to stripe rust infection with lines XN8 and BF4 showing the highest level of resistance. Southern blot hybridization confirmed the stable inheritance of RC24 in transgenic T1 plants. Resistance to stripe rust in transgenic T2 and T3 XN8 and BF4 plants was confirmed over two consecutive years in the field. Increased yield (27-36 %) was recorded for transgenic T2 and T3 XN8 and BF4 plants compared to controls. These results suggest that rice class I chitinase RC24 can be used to engineer stripe rust resistance in wheat.

  15. The role of relational capital (RC in green supply chain management (GSCM

    Directory of Open Access Journals (Sweden)

    Claudia Viviane Viegas

    2015-09-01

    Full Text Available Green Supply Chain Management (GSCM is an emergent issue in operations management. It is addressed to intra and inter-organizational practices adoption in order to promote sustainability in supply chains. Relational Capital (RC, also an emergent issue, plays a relevant role to resize views based solely in transactions costs and resources to a relationship view leaned on governance for information, trust and longevity in relationships, looking for positive results for all the chain’s participants. This article reviews and criticizes seminal literature on intangible assets in order to rescue RC features and link them to GSCM development. Through exploratory and descriptive methods, recent studies on RC and GSCM are identified with respect their descriptors – ways in which RC is understood and employed in GSCM; focus – goals and main use of RC; and directionality – if developments of RC in GSCM are addressed from producers to their suppliers and respective clients, or if suppliers and clients also address results of RC. It is concluded that, usually, there is unidirectionality in the application of such efforts: improvement initiatives go from the producer to the supplier or client development, but processes through which environmental practices of suppliers and clients influence the performance of GSCM are poor explored.

  16. Seismic performance of existing R.C. framed buildings

    Directory of Open Access Journals (Sweden)

    Sameh A. El-Betar

    2017-08-01

    Full Text Available The earthquakes disasters basically occur due to buildings damage not because of the earth shaking. Therefore, the countries have being updated the seismic codes. The seismic loads for buildings design in Egyptian Code have been changed from (EC-1994 to (ECP-201, 2012. On the other hand, the need is raised to study the vulnerability of existing buildings, which can be divided into the buildings designed to resist the gravity loads only (GLD and the buildings designed according to Egyptian code (EC-1994. Comparison between forces due to Egyptian code for loads (EC-1994 and (ECP-201, 2012 is carried out on the multi-stories R.C. framed buildings which are the most common type of existing buildings in Egypt. To investigate the vulnerability of existing buildings, nonlinear static pushover analysis is conducted to evaluate the real strength of the existing buildings. Moreover, it is considered a useful and effective tool for the performance of three framed buildings: 3, 6 and 10 stories due to expected future earthquakes. Finally, it is found that the vulnerability of existing GLD buildings occurs at expected ground accelerations (ag greater than 0.125 g in Egyptian seismic map, while the EC-94 designed buildings behave elastically up to (ag equals to 0.2 g and above that a slight damage may occur.

  17. Seismic Rehabilitation of RC Frames by Using Steel Panels

    Science.gov (United States)

    Mowrtage, Waiel

    2008-07-01

    Every major earthquake in Turkey causes a large number of building suffer moderate damage due to poor construction. If a proper and fast retrofit is not applied, the aftershocks, which may sometimes come days or weeks after the main shock, can push a moderately damaged building into a major damage or even total collapse. This paper presents a practical retrofit method for moderately damaged buildings, which increases the seismic performance of the structural system by reducing the displacement demand. Fabricated steel panels are used for the retrofit. They are light-weight, easy to handle, and can be constructed very quickly. Moreover, they are cheap, and do not need formwork or skilled workers. They can be designed to compensate for the stiffness and strength degradation, and to fit easily inside a moderately damaged reinforced concrete frame. To test the concept, a half-scale, single-story 3D reinforced concrete frame specimen was constructed at the shake-table laboratories of the Kandilli Observatory and Earthquake Research Institute of Bogazici University, and subjected to recorded real earthquake base accelerations. The amplitudes of base accelerations were increased until a moderate damage level is reached. Then, the damaged RC frames was retrofitted by means of steel panels and tested under the same earthquake. The seismic performance of the specimen before and after the retrofit was evaluated using FEMA356 standards, and the results were compared in terms of stiffness, strength, and deformability. The results have confirmed effectiveness of the proposed retrofit scheme.

  18. Explicit expression for effective moment of inertia of RC beams

    Directory of Open Access Journals (Sweden)

    K.A. Patel

    Full Text Available AbstractDeflection is an important design parameter for structures subjected to service load. This paper provides an explicit expression for effective moment of inertia considering cracking, for uniformly distributed loaded reinforced concrete (RC beams. The proposed explicit expression can be used for rapid prediction of short-term deflection at service load. The explicit expression has been obtained from the trained neural network considering concrete cracking, tension stiffening and entire practical range of reinforcement. Three significant structural parameters have been identified that govern the change in effective moment of inertia and therefore deflection. These three parameters are chosen as inputs to train neural network. The training data sets for neural network are generated using finite element software ABAQUS. The explicit expression has been validated for a number of simply supported and continuous beams and it is shown that the predicted deflections have reasonable accuracy for practical purpose. A sensitivity analysis has been performed, which indicates substantial dependence of effective moment of inertia on the selected input parameters.

  19. Finite element analysis of FRP-strengthened RC beams

    Directory of Open Access Journals (Sweden)

    Teeraphot Supaviriyakit

    2004-05-01

    Full Text Available This paper presents a non-linear finite element analysis of reinforced concrete beam strengthened with externally bonded FRP plates. The finite element modeling of FRP-strengthened beams is demonstrated. Concrete and reinforcing bars are modeled together as 8-node isoparametric 2D RC element. The FRP plate is modeled as 8-node isoparametric 2D elastic element. The glue is modeled as perfect compatibility by directly connecting the nodes of FRP with those of concrete since there is no failure at the glue layer. The key to the analysis is the correct material models of concrete, steel and FRP. Cracks and steel bars are modeled as smeared over the entire element. Stress-strain properties of cracked concrete consist of tensile stress model normal to crack, compressive stress model parallel to crack and shear stress model tangential to crack. Stressstrain property of reinforcement is assumed to be elastic-hardening to account for the bond between concrete and steel bars. FRP is modeled as elastic-brittle material. From the analysis, it is found that FEM can predict the load-displacement relation, ultimate load and failure mode of the beam correctly. It can also capture the cracking process for both shear-flexural peeling and end peeling modes similar to the experiment.

  20. Seismic Rehabilitation of RC Frames by Using Steel Panels

    International Nuclear Information System (INIS)

    Mowrtage, Waiel

    2008-01-01

    Every major earthquake in Turkey causes a large number of building suffer moderate damage due to poor construction. If a proper and fast retrofit is not applied, the aftershocks, which may sometimes come days or weeks after the main shock, can push a moderately damaged building into a major damage or even total collapse. This paper presents a practical retrofit method for moderately damaged buildings, which increases the seismic performance of the structural system by reducing the displacement demand. Fabricated steel panels are used for the retrofit. They are light-weight, easy to handle, and can be constructed very quickly. Moreover, they are cheap, and do not need formwork or skilled workers. They can be designed to compensate for the stiffness and strength degradation, and to fit easily inside a moderately damaged reinforced concrete frame.To test the concept, a half-scale, single-story 3D reinforced concrete frame specimen was constructed at the shake-table laboratories of the Kandilli Observatory and Earthquake Research Institute of Bogazici University, and subjected to recorded real earthquake base accelerations. The amplitudes of base accelerations were increased until a moderate damage level is reached. Then, the damaged RC frames was retrofitted by means of steel panels and tested under the same earthquake. The seismic performance of the specimen before and after the retrofit was evaluated using FEMA356 standards, and the results were compared in terms of stiffness, strength, and deformability. The results have confirmed effectiveness of the proposed retrofit scheme

  1. Prediction of Cracking Induced by Indirect Actions in RC Structures

    Science.gov (United States)

    Anerdi, Costanza; Bertagnoli, Gabriele; Gino, Diego; Malavisi, Marzia; Mancini, Giuseppe

    2017-10-01

    Cracking of concrete plays a key role in reinforced concrete (RC) structures design, especially in serviceability conditions. A variety of reasons contribute to develop cracking and its presence in concrete structures is to be considered as almost unavoidable. Therefore, a good control of the phenomenon in order to provide durability is required. Cracking development is due to tensile stresses that arise in concrete structures as a result of the action of direct external loads or restrained endogenous deformations. This paper focuses on cracking induced by indirect actions. In fact, there is very limited literature regarding this particular phenomenon if compared to its high incidence in the construction practice. As a consequence, the correct prediction of the crack opening, width and position when structures are subjected to imposed deformations, such as massive castings or other highly restrained structures, becomes a compelling task, not so much for the structural capacity, as for their durability. However, this is only partially addressed by commonly used design methods, which are usually intended for direct actions. A set of non-linear analysis on simple tie models is performed using the Finite Element Method in order to study the cracking process under imposed deformations. Different concrete grades have been considered and analysed. The results of this study have been compared with the provisions of the most common codes.

  2. Expected damages of retrofitted bridges with RC jacketing

    Science.gov (United States)

    Montes, O.; Jara, J. M.; Jara, M.; Olmos, B. A.

    2015-07-01

    The bridge infrastructure in many countries of the world consists of medium span length structures built several decades ago and designed for very low seismic forces. Many of them are reinforced concrete structures that according to the current code regulations have to be rehabilitated to increase their seismic capacity. One way to reduce the vulnerability of the bridges is by using retrofitting techniques that increase the strength of the structure or by incorporating devices to reduce the seismic demand. One of the most common retrofit techniques of the bridges substructures is the use of RC jacketing; this research assesses the expected damages of seismically deficient medium length highway bridges retrofitted with reinforced concrete jacketing, by conducting a parametric study. We select a suite of twenty accelerograms of subduction earthquakes recorded close to the Pacific Coast in Mexico. The original structures consist of five 30 m span simple supported bridges with five pier heights of 5 m, 10 m, 15 m 20 and 25 m and the analyses include three different jacket thickness and three steel ratios. The bridges were subjected to the seismic records and non-linear time history analyses were carried out by using the OpenSEEs Plataform. Results allow selecting the reinforced concrete jacketing that better improves the expected seismic behavior of the bridge models.

  3. Expected damages of retrofitted bridges with RC jacketing

    International Nuclear Information System (INIS)

    Montes, O; Jara, J M; Jara, M; Olmos, B A

    2015-01-01

    The bridge infrastructure in many countries of the world consists of medium span length structures built several decades ago and designed for very low seismic forces. Many of them are reinforced concrete structures that according to the current code regulations have to be rehabilitated to increase their seismic capacity. One way to reduce the vulnerability of the bridges is by using retrofitting techniques that increase the strength of the structure or by incorporating devices to reduce the seismic demand. One of the most common retrofit techniques of the bridges substructures is the use of RC jacketing; this research assesses the expected damages of seismically deficient medium length highway bridges retrofitted with reinforced concrete jacketing, by conducting a parametric study. We select a suite of twenty accelerograms of subduction earthquakes recorded close to the Pacific Coast in Mexico. The original structures consist of five 30 m span simple supported bridges with five pier heights of 5 m, 10 m, 15 m 20 and 25 m and the analyses include three different jacket thickness and three steel ratios. The bridges were subjected to the seismic records and non-linear time history analyses were carried out by using the OpenSEEs Plataform. Results allow selecting the reinforced concrete jacketing that better improves the expected seismic behavior of the bridge models. (paper)

  4. Hydration of the chloride ion in concentrated aqueous solutions using neutron scattering and molecular dynamics

    Czech Academy of Sciences Publication Activity Database

    Pluhařová, Eva; Fischer, H. E.; Mason, Philip E.; Jungwirth, Pavel

    2014-01-01

    Roč. 112, 9/10 (2014), s. 1230-1240 ISSN 0026-8976 R&D Projects: GA ČR GBP208/12/G016; GA MŠk LH12001 Grant - others:GA MŠk(CZ) LM2010005 Institutional support: RVO:61388963 Keywords : lithium * solution * molecular dynamics * chloride * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.720, year: 2014

  5. Dynamics of water molecules and sodium ions in solid hydrates of nucleotides

    Czech Academy of Sciences Publication Activity Database

    Dračínský, Martin; Šála, Michal; Hodgkinson, P.

    2014-01-01

    Roč. 16, č. 29 (2014), s. 6756-6764 ISSN 1466-8033 R&D Projects: GA ČR GA13-24880S Grant - others:Seventh Framework Programme of the European Union(XE) FP7-299242 People Institutional support: RVO:61388963 Keywords : molecular dynamics simulations * NMR spectroscopy * DFT calculations Subject RIV: CC - Organic Chemistry Impact factor: 4.034, year: 2014

  6. Neutron spectroscopy measurements and modeling of neutral beam heating fast ion dynamics

    International Nuclear Information System (INIS)

    Hellesen, C; Sunden, E Andersson; Conroy, S; Ericsson, G; Johnson, M Gatu; Hjalmarsson, A; Kaellne, J; Ronchi, E; Sjoestrand, H; Weiszflog, M; Albergante, M; Ballabio, L; Gorini, G; Tardocchi, M; Giacomelli, L; Jenkins, I; Voitsekhovitch, I

    2010-01-01

    The energy spectrum of the neutron emission from beam-target reactions in fusion plasmas at the Joint European Torus (JET) has been investigated. Different beam energies as well as injection angles were used. Both measurements and simulations of the energy spectrum were done. The measurements were made with the time-of-flight spectrometer TOFOR. Simulations of the neutron spectrum were based on first-principle calculations of neutral beam deposition profiles and the fast ion slowing down in the plasma using the code NUBEAM, which is a module of the TRANSP package. The shape of the neutron energy spectrum was seen to vary significantly depending on the energy of the beams as well as the injection angle and the deposition profile in the plasma. Cross validations of the measured and modeled neutron energy spectra were made, showing a good agreement for all investigated scenarios.

  7. Dynamics of the reaction of the N+ ion with hydrogen isotopes and helium

    International Nuclear Information System (INIS)

    Ruska, W.E.W.

    1976-01-01

    Molecular beam techniques were used to study the reactive and non-reactive scattering of the nitrogen positive ion from hydrogen isotopes and helium, at energies above the stability limit for spectator stripping. Reactive scattering was observed from H 2 and HD targets. Non-reactive scattering was observed from H 2 and D 2 targets, and from He at one energy. A correlation diagram for the system is presented and compared with the available a priori calculations. Two surfaces are expected to lead to reaction. One is a 3 A 2 - 3 PI surface, the other, a 3 B 1 - 3 Σ - surface. Collinear approaches are expected to be most reactive on the 3 B 1 - 3 Σ - surface; noncollinear, on the 3 A 1 - 3 PI surface. Theoretical models are presented in which an incident hard sphere A, representing the projectile ion, strikes one of a pair of hard spheres B-C representing the B hydrogen molecule. After an impulsive A-B collision, an impulsive B-C collision may take place. The relative energy of A to B is then examined, and a reactive event is considered to have occurred if the energy is less than the dissociation energy for the A-B molecule. This model is treated both in the collinear case and in three dimensions. A graphical technique for the collinear case is summarized and applied to reaction on the 3 B 1 - 3 Σ - surface. An integral equation for the three-dimensional case is developed. A synthesis of two treatments, representing the behavior of the system on both reactive surfaces, and considering the charge-exchange channel, correctly predicts the observed product distribution. Predictions are also presented for the as yet unobserved case of reactive scattering from a D 2 target

  8. Ion imaging study of reaction dynamics in the N{sup +}+ CH{sub 4} system

    Energy Technology Data Exchange (ETDEWEB)

    Pei, Linsen; Farrar, James M. [Department of Chemistry, University of Rochester, Rochester, New York 14627 (United States)

    2012-10-21

    The velocity map ion imaging method is applied to the ion-molecule reactions of N{sup +} with CH{sub 4}. The velocity space images are collected at collision energies of 0.5 and 1.8 eV, providing both product kinetic energy and angular distributions for the reaction products CH{sub 4}{sup +}, CH{sub 3}{sup +}, and HCNH{sup +}. The charge transfer process is energy resonant and occurs by long-range electron transfer that results in minimal deflection of the products. The formation of the most abundant product, CH{sub 3}{sup +}, proceeds by dissociative charge transfer rather than hydride transfer, as reported in earlier publications. The formation of HCNH{sup +} by C-N bond formation appears to proceed by two different routes. The triplet state intermediates CH{sub 3}NH{sup +} and CH{sub 2}NH{sub 2}{sup +} that are formed as N{sup +}({sup 3}P) approaches CH{sub 4} may undergo sequential loss of two hydrogen atoms to form ground state HCNH{sup +} products on a spin-allowed pathway. However, the kinetic energy distributions for formation of HCNH{sup +} extend past the thermochemical limit to form HCNH{sup +}+ 2H, implying that HCNH{sup +} may also be formed in concert with molecular hydrogen, and requiring that intersystem crossing to the singlet manifold must occur in a significant ({approx}25%) fraction of reactive collisions. We also report GAUSSIAN G2 calculations of the energies and structures of important singlet and triplet [CNH{sub 4}{sup +}] complexes that serve as precursors to product formation.

  9. Formulation development of retrocyclin 1 analog RC-101 as an anti-HIV vaginal microbicide product.

    Science.gov (United States)

    Sassi, A B; Cost, M R; Cole, A L; Cole, A M; Patton, D L; Gupta, P; Rohan, L C

    2011-05-01

    RC-101 is a synthetic microbicide analog of retrocyclin, which has shown in vitro activity against X4 and R5 HIV-1. In an effort to develop a safe and effective RC-101 vaginal microbicide product, we assessed safety in ex vivo macaque and human models and efficacy using in vitro and ex vivo models. A polyvinyl-alcohol vaginal film containing RC-101 (100 μg/film) was developed. Formulation assessment was conducted by evaluating disintegration, drug content, mechanical properties, and stability. Efficacy was evaluated by in vitro peripheral blood mononuclear cells (PBMC) assay and ex vivo human ectocervical tissue explant model. Ex vivo safety studies were conducted by exposing RC-101 to an excised monkey reproductive tract and excised human ectocervical tissue. RC-101 100 μg films were shown to be safe to human and monkey tissue and effective against HIV-1 in vitro and ex vivo in human ectocervical tissue. The 90% inhibitory concentration (IC90) for RC-101 films at 2,000 μg (IC90=57.5 μM) using an ex vivo model was 10-fold higher than the IC90 observed using an in vitro model (IC90=5.0 μM). RC-101 films were stable for 1 month at 25°C, with in vitro bioactivity maintained for up to 6 months. RC-101 was developed in a quick-dissolve film formulation that was shown to be safe in an ex vivo model and effective in in vitro and ex vivo models. RC-101 film formulations were shown to maintain bioactivity for a period of 6 months. Findings from the present study contribute to the development of a safe and effective topical microbicide product.

  10. Estimation methods of deformational behaviours of RC beams under the unrestrained condition at elevated temperatures

    International Nuclear Information System (INIS)

    Kanezu, Tsutomu; Nakano, Takehiro; Endo, Tatsumi

    1986-01-01

    The estimation methods of free deformations of reinforced concrete (RC) beams at elevated temperatures are investigated based on the concepts of ACI's and CEB/FIP's formulas, which are well used to estimate the flexural deformations of RC beams at normal temperature. Conclusions derived from the study are as follows. 1. Features of free deformations of RC beams. (i) The ratios of the average compressive strains on the top fiber of RC beams to the calculated ones at the cracked section show the inclinations that the ratios once drop after cracking and then remain constant according to temperature rises. (ii) Average compressive strains might be estimated by the average of the calculated strains at the perfect bond section and the cracked section of RC beam. (iii) The ratios of the average tensile strains on the level of reinforcements to the calculated ones at the cracked section are inclined to approach the value of 1.0 monotonically according to temperature rises. The changes of the average tensile strains are caused by the deterioration of bond strength and cracking due to the increase of the differences of expansive strains between reinforcement and concrete. 2. Estimation methods of free deformations of RC beams. (i) In order to estimate the free deformations of RC beams at elevated temperatures, the basic concepts of ACI's and CEB/FIP's formulas are adopted, which are well used to estimate the M-φ relations of RC beams at normal temperature. (ii) It was confirmed that the suggested formulas are able to estimate the free deformations of RC beams, that is, the longitudinal deformation and the curvature, at elevated temperatures. (author)

  11. Radiation assisted thermonuclear burn wave dynamics in heavy ion fast ignition of cylindrical deuterium-tritium fuel target

    International Nuclear Information System (INIS)

    Rehman, S.; Kouser, R.; Nazir, R.; Manzoor, Z.; Tasneem, G.; Jehan, N.; Nasim, M.H.; Salahuddin, M.

    2015-01-01

    Dynamics of thermonuclear burn wave propagation assisted by thermal radiation precursor in a heavy ion fast ignition of cylindrical deuterium-tritium (DT) fuel target are studied by two dimensional radiation hydrodynamic simulations using Multi-2D code. Thermal radiations, as they propagate ahead of the burn wave, suffer multiple reflections and preheat the fuel, are found to play a vital role in burn wave dynamics. After fuel ignition, the burn wave propagates in a steady state manner for some time. Multiple reflection and absorption of radiation at the fuel-tamper interface, fuel ablation and radial implosion driven by ablative shock and fast fusion rates on the fuel axis, at relatively later times, result into filamentary wave front. Strong pressure gradients are developed and sausage like structures behind the front are appeared. The situation leads to relatively reduced and non-uniform radial fuel burning and burn wave propagation. The fuel burning due to DD reaction is also taken into account and overall fusion energy and fusion power density, due to DT and DD reactions, during the burn wave propagation are determined as a function of time. (authors)

  12. An optimum design of R-C oscillatory De-Qing circuit

    International Nuclear Information System (INIS)

    Cao Dezhang; Pan Linghe; Yang Tianlu

    1990-01-01

    An optimum design of R-C oscillatory De-Qing circuit has been developed for voltage regulation of the pulse modulator. When a new coefficient T 3 /T is introduced, the selection of De-Qing circuit parameters will become quite simple and the optimum parameters can be calculated directly. The De-Qing circuit parameters calculated will be effective in the whole range of the percentage regulation η from zero to maximum design value. The limit value of η is 0.36 or 0.29, theoretically, when the time constant of the De-Qing circuit is 3RC or 5RC respectively

  13. Cracking and Deformation Modelling of Tensile RC Members Using Stress Transfer Approach

    Directory of Open Access Journals (Sweden)

    Ronaldas Jakubovskis

    2016-12-01

    Full Text Available The paper presents a modeling technique for bond, cracking and deformation analysis of RC members. The proposed mod-eling technique is not restricted by the geometrical dimensions of the analyzed member and may be applied for various load-ing conditions. Tensile as well as bending RC members may be analyzed using the proposed technique. Adequacy of the modeling strategy was evaluated by the developed numerical discrete crack algorithm, which allows modeling deformation and cracking behavior of tensile RC members. Comparison of experimental and numerical results proved the applicability of the proposed modeling strategy.

  14. Observations on out-of-plane behaviour of URM walls in buildings with RC slabs

    OpenAIRE

    Tondelli, Marco; Beyer, Katrin

    2014-01-01

    In Switzerland many new residential buildings are constructed as unreinforced masonry (URM) structures or as mixed structures where URM walls are coupled with reinforced concrete (RC) walls by RC slabs. At present the boundary conditions of URM walls subjected to out-of-plane accelerations are still not well quantified. In the framework of a large research activity on RC-URM wall structures a shake-table test on a four-storey mixed structure was performed. The test specimen, which was built a...

  15. Sequence-dependent separation of trinucleotides by ion-interaction reversed-phase liquid chromatography A structure-retention study assisted by soft-modelling and molecular dynamics

    Czech Academy of Sciences Publication Activity Database

    Mikulášek, K.; Jaroň, Kamil S.; Kulhánek, P.; Bittová, M.; Havliš, J.

    2016-01-01

    Roč. 1469, October (2016), s. 88-95 ISSN 0021-9673 Institutional support: RVO:68081766 Keywords : Sequence-dependent separation * Ion-interaction reversed-phase liquid chromatography * Trinucleotides * Oligonucleotide sequence isomers * QSRR * Molecular dynamics Subject RIV: CE - Biochemistry Impact factor: 3.981, year: 2016

  16. Dynamics of fragments and associated phenomena in heavy-ion collisions using a modified secondary algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Rohit [Department of Physics, Panjab University, Chandigarh-160014 (India)

    2016-05-06

    We discuss the stability of fragments identified by secondary algorithms used to construct fragments within quantum molecular dynamics model. For this purpose we employ three different algorithms for fragment identification. 1) The conventional minimum spanning tree (MST) method based on the spatial correlations, 2) an improved version of MST with additional binding energy constraints of cold nuclear matter, 3) and that of hot matter. We find significant role of thermal binding energies over cold matter binding energies. Significant role is observed for fragment multiplicities and stopping of fragments. Whereas insignificant effect is observed on fragment’s flow.

  17. Mass exchange and angular distribution in a dynamical treatment of heavy ion collisions

    International Nuclear Information System (INIS)

    Ngo, C.; Hofmann, H.

    1977-01-01

    One presents a first numerical computation of the absolute value of the double differential cross section as a function of mass asymmetry and detection angle including a dynamical coupling between relative motion and mass asymmetry. One applies it to the 63 Cu+ 197 Au experiment at two different energies. The equation of motion used is a Fokker-Planck equation for distribution function in classical phase space. The coefficients needed are those known from classical model calculations, besides a friction coefficient introduced for the mass asymmetry degree. Encouraging agreement between the calculated and experimental curves is found

  18. Perturbed Angular Correlation (PAC)/NMR spectroscopic properties and dynamics of compounds containing metal ions

    DEFF Research Database (Denmark)

    Arcisauskaité, Vaida

    have been used to elucidate Hg coordination in proteins. Computational chemistry calculations have a potential to contribute to the interpretation of this spectroscopic data, as calculated diagonalised electric field gradient (EFG) tensor components (jVzzj jVyyj jVxxj) and NMR shielding constants...... steps towards understanding how Zn(II) reaches its target position in biological systems in vivo and in vitro experiments in aqueous solution, is the detailed investigation of water exchange reactions for Zn(II)(aq). A very advanced (albeit not complete) picture of structure and dynamics of solvated Zn...

  19. Dynamics of the reaction of the N/sup +/ ion with hydrogen isotopes and helium

    Energy Technology Data Exchange (ETDEWEB)

    Ruska, W.E.W.

    1976-06-28

    Molecular beam techniques were used to study the reactive and non-reactive scattering of the nitrogen positive ion from hydrogen isotopes and helium, at energies above the stability limit for spectator stripping. Reactive scattering was observed from H/sub 2/ and HD targets. Non-reactive scattering was observed from H/sub 2/ and D/sub 2/ targets, and from He at one energy. A correlation diagram for the system is presented and compared with the available a priori calculations. Two surfaces are expected to lead to reaction. One is a /sup 3/A/sub 2/ - /sup 3/PI surface, the other, a /sup 3/B/sub 1/ - /sup 3/..sigma../sup -/ surface. Collinear approaches are expected to be most reactive on the /sup 3/B/sub 1/ - /sup 3/..sigma../sup -/ surface; noncollinear, on the /sup 3/A/sub 1/ - /sup 3/PI surface. Theoretical models are presented in which an incident hard sphere A, representing the projectile ion, strikes one of a pair of hard spheres B-C representing the B hydrogen molecule. After an impulsive A-B collision, an impulsive B-C collision may take place. The relative energy of A to B is then examined, and a reactive event is considered to have occurred if the energy is less than the dissociation energy for the A-B molecule. This model is treated both in the collinear case and in three dimensions. A graphical technique for the collinear case is summarized and applied to reaction on the /sup 3/B/sub 1/ - /sup 3/..sigma../sup -/ surface. An integral equation for the three-dimensional case is developed. A synthesis of two treatments, representing the behavior of the system on both reactive surfaces, and considering the charge-exchange channel, correctly predicts the observed product distribution. Predictions are also presented for the as yet unobserved case of reactive scattering from a D/sub 2/ target.

  20. 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.

  1. Molecular dynamics study of the effect of substrate temperature and Ar ion assisted deposition on the deposition of amorphous TiO_2 films

    International Nuclear Information System (INIS)

    Chen, Xian; Zhang, Jing; Zhao, Yu-Qing

    2017-01-01

    Highlights: • The surface roughness of a-TiO_2 films is decreased with the increment of the Ar ion assisted energy. • The surface roughness of a-TiO_2 films is decreased with higher substrate temperature when the substrate has an island structure. • The assisted Ar ion has power of making a flat surface and increasing the local temperature. • The assisted Ar ion will influence the growth mode with the change of surface atom mobility. • The Volmer-Weber (island) growth mode is inhibited with a high assisted Ar ion energy. - Abstract: This paper has investigated the impact of the substrate temperature and Ar ion assisted deposition on the surface structure formation mechanism and the film properties during the amorphous TiO_2 thin film deposition process with the molecular dynamics simulation method. The results show that the reduction of the surface roughness happen when the energy of Ar ions assisted is increased or the substrate temperature rises, and also the film density on surface is changed with the increasing of Ar ions energy and substrate temperature. It is also found that the Volmer-Weber (island) growth mode of films is promoted by the lower Ar ion energy and higher substrate temperature when the substrate has an island structure. The assisted Ar ion has power of making a flat surface and increasing the local temperature. Besides, it will influence the growth mode with the change of surface atom mobility. With a high assisted Ar ion energy the Volmer-Weber (island) growth mode is inhibited, which will be conducive to the formation of more smooth film surface.

  2. Molecular dynamics study of the effect of substrate temperature and Ar ion assisted deposition on the deposition of amorphous TiO{sub 2} films

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xian, E-mail: mus_c@qq.com [Science and Technology on Analog Integrated Circuit Laboratory, ChongQing, 401332 (China); Zhang, Jing [Science and Technology on Analog Integrated Circuit Laboratory, ChongQing, 401332 (China); Zhao, Yu-Qing [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi' an Jiaotong University, Xi’AN, 710049 (China)

    2017-05-15

    Highlights: • The surface roughness of a-TiO{sub 2} films is decreased with the increment of the Ar ion assisted energy. • The surface roughness of a-TiO{sub 2} films is decreased with higher substrate temperature when the substrate has an island structure. • The assisted Ar ion has power of making a flat surface and increasing the local temperature. • The assisted Ar ion will influence the growth mode with the change of surface atom mobility. • The Volmer-Weber (island) growth mode is inhibited with a high assisted Ar ion energy. - Abstract: This paper has investigated the impact of the substrate temperature and Ar ion assisted deposition on the surface structure formation mechanism and the film properties during the amorphous TiO{sub 2} thin film deposition process with the molecular dynamics simulation method. The results show that the reduction of the surface roughness happen when the energy of Ar ions assisted is increased or the substrate temperature rises, and also the film density on surface is changed with the increasing of Ar ions energy and substrate temperature. It is also found that the Volmer-Weber (island) growth mode of films is promoted by the lower Ar ion energy and higher substrate temperature when the substrate has an island structure. The assisted Ar ion has power of making a flat surface and increasing the local temperature. Besides, it will influence the growth mode with the change of surface atom mobility. With a high assisted Ar ion energy the Volmer-Weber (island) growth mode is inhibited, which will be conducive to the formation of more smooth film surface.

  3. Experimental investigations of ablation stream interaction dynamics in tungsten wire arrays: Interpenetration, magnetic field advection, and ion deflection

    Energy Technology Data Exchange (ETDEWEB)

    Swadling, G. F.; Lebedev, S. V.; Hall, G. N.; Suzuki-Vidal, F.; Burdiak, G. C.; Pickworth, L.; De Grouchy, P.; Skidmore, J.; Khoory, E.; Suttle, L.; Bennett, M.; Hare, J. D.; Clayson, T.; Bland, S. N.; Smith, R. A.; Stuart, N. H.; Patankar, S.; Robinson, T. S. [Blackett Laboratory, Imperial College, London SW7 2BW (United Kingdom); Harvey-Thompson, A. J. [Sandia National Laboratories, PO Box 5800, Albuquerque, New Mexico 87185-1193 (United States); Rozmus, W. [Department of Physics, University of Alberta, Edmonton, Alberta T6G 2J1 (Canada); and others

    2016-05-15

    Experiments have been carried out to investigate the collisional dynamics of ablation streams produced by cylindrical wire array z-pinches. A combination of laser interferometric imaging, Thomson scattering, and Faraday rotation imaging has been used to make a range of measurements of the temporal evolution of various plasma and flow parameters. This paper presents a summary of previously published data, drawing together a range of different measurements in order to give an overview of the key results. The paper focuses mainly on the results of experiments with tungsten wire arrays. Early interferometric imaging measurements are reviewed, then more recent Thomson scattering measurements are discussed; these measurements provided the first direct evidence of ablation stream interpenetration in a wire array experiment. Combining the data from these experiments gives a view of the temporal evolution of the tungsten stream collisional dynamics. In the final part of the paper, we present new experimental measurements made using an imaging Faraday rotation diagnostic. These experiments investigated the structure of magnetic fields near the array axis directly; the presence of a magnetic field has previously been inferred based on Thomson scattering measurements of ion deflection near the array axis. Although the Thomson and Faraday measurements are not in full quantitative agreement, the Faraday data do qualitatively supports the conjecture that the observed deflections are induced by a static toroidal magnetic field, which has been advected to the array axis by the ablation streams. It is likely that detailed modeling will be needed in order to fully understand the dynamics observed in the experiment.

  4. Piezoelectric actuator based phase locking system to improve the dynamics of the control scheme for a heavy ion superconducting linac

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, B.K., E-mail: bhuban@iuac.res.in [Inter University Accelerator Centre (IUAC), Aruna Asaf Ali Marg, New Delhi – 110 067 (India); Ahuja, R.; Kumar, Rajesh; Suman, S.K.; Mathuria, D.S.; Rai, A.; Patra, P.; Pandey, A.; Karmakar, J.; Chowdhury, G.K.; Dutt, R.N. [Inter University Accelerator Centre (IUAC), Aruna Asaf Ali Marg, New Delhi – 110 067 (India); Joshi, G. [Electronics Division, Bhabha Atomic Research Centre, Mumbai – 400 085 (India); Ghosh, S.; Kanjilal, D.; Roy, A. [Inter University Accelerator Centre (IUAC), Aruna Asaf Ali Marg, New Delhi – 110 067 (India)

    2015-03-21

    The superconducting heavy ion linear accelerator at Inter-University Accelerator Centre Delhi has been in operation since 2007. Initially, the superconducting niobium Quarter Wave Resonators (QWRs) in the linac were phase locked using a combination of electronic and mechanical controls which operated in fast (~10 μsec) and slow (~sec) time scales respectively. In this scheme, fast control was achieved through dynamic phase control whereas slow control of the frequency was done through the niobium tuner bellows installed at the drift tube end of the resonator and flexed using helium gas to change the resonance frequency. In order to improve the dynamics of this control system, an alternate scheme using piezoelectric actuator, instead of helium gas, to flex the same niobium bellows, has been implemented in the QWRs of the second and third accelerating modules of the linac. The piezoelectric actuator is used in closed loop along with the fast dynamic phase control scheme. The feedback loop of the piezoelectric control includes a dual control scheme - an integral control loop to arrest the slow drift, and the positive position feedback (PPF) based control loop to damp the microphonics. This control scheme has been found to arrest slow drifts in the resonator frequency more tightly along with damping of low frequency microphonics (~few tens of Hz) picked up by the resonator from its surrounding environment. This has substantially eased the load from the fast electronic control, resulting in the reduction of the radio frequency (RF) power requirement during operation. In addition, it has improved the stability of phase and amplitude of the QWRs. The details of the new scheme along with results obtained during the online run of the linac for beam acceleration are presented.

  5. An under-designed RC frame: Seismic assessment through displacement based approach and possible refurbishment with FRP strips and RC jacketing

    Science.gov (United States)

    Valente, Marco; Milani, Gabriele

    2017-07-01

    Many existing reinforced concrete buildings in Southern Europe were built (and hence designed) before the introduction of displacement based design in national seismic codes. They are obviously highly vulnerable to seismic actions. In such a situation, simplified methodologies for the seismic assessment and retrofitting of existing structures are required. In this study, a displacement based procedure using non-linear static analyses is applied to a four-story existing RC frame. The aim is to obtain an estimation of its overall structural inadequacy as well as the effectiveness of a specific retrofitting intervention by means of GFRP laminates and RC jacketing. Accurate numerical models are developed within a displacement based approach to reproduce the seismic response of the RC frame in the original configuration and after strengthening.

  6. On the balance energy and nuclear dynamics in peripheral heavy-ion collisions

    International Nuclear Information System (INIS)

    Chugh, Rajiv; Puri, Rajeev K.

    2010-01-01

    We present here the system size dependence of balance energy for semi-central and peripheral collisions using quantum molecular dynamics model. For this study, the reactions of Ne 20 +Ne 20 , Ca 40 +Ca 40 , Ni 58 + Ni 58 , Nb 93 +Nb 93 , Xe 131 +Xe 131 , and Au 197 +Au 197 are simulated at different incident energies and impact parameters. A hard equation of state along with nucleon–nucleon cross-sections between 40 and 55 mb explains the data nicely. Interestingly, balance energy follows a power law ∝A τ for the mass dependence at all colliding geometries. The power factor τ is close to –1/3 in central collisions, whereas it is –2/3 for peripheral collisions suggesting stronger system size dependence at peripheral geometries. This also suggests that in the absence of momentum dependent interactions, Coulomb's interaction plays an exceedingly significant role. These results are further analyzed for nuclear dynamics at the balance point. (author)

  7. Dynamic electron-ion collisions and nuclear quantum effects in quantum simulation of warm dense matter

    Science.gov (United States)

    Kang, Dongdong; Dai, Jiayu

    2018-02-01

    The structural, thermodynamic and transport properties of warm dense matter (WDM) are crucial to the fields of astrophysics and planet science, as well as inertial confinement fusion. WDM refers to the states of matter in a regime of temperature and density between cold condensed matter and hot ideal plasmas, where the density is from near-solid up to ten times solid density, and the temperature between 0.1 and 100 eV. In the WDM regime, matter exhibits moderately or strongly coupled, partially degenerate properties. Therefore, the methods used to deal with condensed matter and isolated atoms need to be properly validated for WDM. It is therefore a big challenge to understand WDM within a unified theoretical description with reliable accuracy. Here, we review the progress in the theoretical study of WDM with state-of-the-art simulations, i.e. quantum Langevin molecular dynamics and first principles path integral molecular dynamics. The related applications for WDM are also included.

  8. Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

    Science.gov (United States)

    Sato, Shunsuke A.; Kelly, Aaron; Rubio, Angel

    2018-04-01

    We introduce a simple ansatz for the wave function of a many-body system based on coupled forward and backward propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in electron-phonon systems. The time evolution of the system is obtained from the Euler-Lagrange variational principle, and we show that this ansatz yields Ehrenfest mean-field theory in the limit that the forward and backward trajectories are orthogonal, and in the limit that they coalesce. We investigate accuracy and performance of this method by simulating electronic relaxation in the spin-boson model and the Holstein model. Although this method involves only pairs of semiclassical trajectories, it shows a substantial improvement over mean-field theory, capturing quantum coherence of nuclear dynamics as well as electron-nuclear correlations. This improvement is particularly evident in nonadiabatic systems, where the accuracy of this coupled trajectory method extends well beyond the perturbative electron-phonon coupling regime. This approach thus provides an attractive route forward to the ab initio description of relaxation processes, such as thermalization, in condensed phase systems.

  9. Heavy ion collision dynamics of 10,11B+10,11B reactions

    Directory of Open Access Journals (Sweden)

    Singh BirBikram

    2015-01-01

    Full Text Available The dynamical cluster-decay model (DCM of Gupta and collaborators has been applied successfully to the decay of very-light (A ∼ 30, light (A ∼ 40−80, medium, heavy and super-heavy mass compound nuclei for their decay to light particles (evaporation residues, ER, fusion-fission (ff, and quasi-fission (qf depending on the reaction conditions. We intend to extend here the application of DCM to study the extreme case of decay of very-light nuclear systems 20,21,22Ne∗ formed in 10,11B+10,11B reactions, for which experimental data is available for their binary symmetric decay (BSD cross sections, i.e., σBSD. For the systems under study, the calculations are presented for the σBSD in terms of their preformation and barrier penetration probabilities P0 and P. Interesting results are that in the decay of such lighter systems there is a competing reaction mechanism (specifically, the deep inelastic orbiting of non-compound nucleus (nCN origin together with ff. We have emipirically estimated the contribution of σnCN. Moreover, the important role of nuclear structure characteristics via P0 as well as angular momentum ℓ in the reaction dynamics are explored in the study.

  10. Long-time dynamics of laser-cooled ions in the TSR storage ring

    International Nuclear Information System (INIS)

    Mudrich, M.

    2000-01-01

    This diploma thesis studies experimentally the long-time dynamics of laser-cooled 9 Be + -beams at the TSR under different cooling conditions. The goal is to enlarge the understanding of ultra-cold, non-neutral plasma at high center-of-mass energies. By means of improved measurement capabilities one can now for the first time monitor the entire phase-space over a long time. This makes it possible to quantitatively analyse the possibilities and limitations of laser cooling at a storage ring. Under optimum cooling conditions a regime of high phase-space density is reached, close to the region where influences of Coulomb coupling are expected. Furthermore, a Monte-Carlo model is worked out that qualitatively describes the beam dynamics. The model includes the influence of transverse-longitudinal coupling due to intra beam scattering on the longitudinal phase-space distribution. At high phase-space density a sudden disappearance of intra beam collisions is observed experimentally and possible interpretations are given. (orig.)

  11. 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.

  12. How to boost the sluggish lithium-ion hopping dynamic in borophene?

    Science.gov (United States)

    Liu, Jia; Chen, Xianfei; Deng, Xiaoyu; Zhang, Wentao; Li, Junfeng; Xiao, Beibei; Pu, Min

    2018-05-01

    In light of low atomic mass, three types of experimentally synthetized borophene including β12, χ3 and striped t-sheet have been predicted to be promising anode materials for lithium-ion batteries (LIBs) with extremely high capacity. However, the rate performances of β12 and χ3 are quite poor with high diffusion barrier of 0.66-0.81 eV on β12 and 0.60-0.85 eV on χ3 in contrast with that in t-sheet (typically performed a comprehensive theoretical investigation on the adsorptions and migrations of Li+ on perfect and defective β12 and χ3 based on density functional theory. We determined a new kind of vacancy in β12 that modulates the adsorption and boosts the diffusion of Li+ nearby remarkably. With the aid of charge doping, we uncover a general mechanism (charge-concentration mechanism) involved with the celebrated bonding theory of borophene, where the hopping barrier of Li+ on β12 could be reduced to be 0.06 eV, rationalizing the boosting Li+ hopping as a result of electron deficiency in vacant borophene. By extending our calculations to H functionalized borophene and Ag supported borophene, we further confirm the validity of the "charge-concentration mechanism" under more realistic experimental conditions. The proposed mechanism could be used as a guiding principle to improve or develop new borophene-based electrode materials with high rate performance for LIBs.

  13. Proline accumulation, ions dynamics and sodium root-shoot partition and compartmentation

    Directory of Open Access Journals (Sweden)

    Jesus Emanuel eBojorquez Quintal

    2014-11-01

    Full Text Available Despite its economic relevance, little is known about salt tolerance mechanisms in pepper plants. To address this question, we compared differences in responses to NaCl in two Capsicum chinense varieties: Rex (tolerant and Chichen-Itza (sensitive. Under salt stress (150 mM NaCl over 7 days roots of Rex variety accumulated 50 times more compatible solutes such as proline compared to Chichen-Itza. Mineral analysis indicated that Na+ is restricted to roots by preventing its transport to leaves. Fluorescence analysis suggested an efficient Na+ compartmentalization in vacuole-like structures and in small intracellular compartments in roots of Rex variety. At the same time, Na+ in Chichen-Itza plants was compartmentalized in the apoplast, suggesting substantial Na+ extrusion. Rex variety was found to retain more K+ in its roots under salt stress according to a mineral analysis and microelectrode ion flux estimation (MIFE. Vanadate-sensitive H+ efflux was higher in Chichen-Itza variety plants, suggesting a higher activity of the plasma membrane H+-ATPase, which fuels the extrusion of Na+, and, possibly, also the re-uptake of K+. Our results suggest a combination of stress tolerance mechanisms, in order to alleviate the salt-induced injury. Furthermore, Na+ extrusion to apoplast does not appear to be an efficient strategy for salt tolerance in pepper plants.

  14. The hidden dynamics of heavy ion evolution: Is it more interesting than our phenomenologies assume

    International Nuclear Information System (INIS)

    Griffin, J.J.; Bronlowski, W.

    1985-01-01

    Explicit calculations of the early time behaviour in a DOUBLE-WELL Schroedinger model of deep inelastic nucleon exchange contradict the ubiquitous assumption of statistical phenomenology that the total energy defines the driving force for the nucleonic drift. The disturbing question thereby arises whether these phenomenologies may sometimes yield agreement with experimental data even when their physical premises are fundamentally erroneous. For the quantal DOUBLE-WELL model, the expansive pressure of the nucleonic kinetic energy ('kinetic pressure') is found to be the primary determinant of the early time behaviour, implying that nucleonic kinetic energy is more effective in promoting nuclear flow than nucleonic potential energy. This implication is verified by explicit calculations for various kinetic and potential energy situations. It follows that the early-time transfer process may be dominated by a combination of neutron and proton flows which tend to move the system towards the equilibria of the neutron and proton kinetic pressures, respectively. Since in general the kinetic pressures of neutrons and protons are simultaneously equilibrized only for a symmetric dinucleus, these independent and irreconcilable tendencies imply a drift which differs from the total energy driven drift. In fact, we calculate that the resulting 'Equilibria Channeled N-Z Flow' should exhibit an (N,Z) drift which is opposite to that implied by the total energy surface, but which is qualitative agreement with the observed behavior of several heavy ion reactions. (orig.)

  15. Dynamic Target Definition: A novel approach for PTV definition in ion beam therapy

    International Nuclear Information System (INIS)

    Cabal, Gonzalo A.; Jäkel, Oliver

    2013-01-01

    Purpose: To present a beam arrangement specific approach for PTV definition in ion beam therapy. Materials and methods: By means of a Monte Carlo error propagation analysis a criteria is formulated to assess whether a voxel is safely treated. Based on this a non-isotropical expansion rule is proposed aiming to minimize the impact of uncertainties on the dose delivered. Results: The method is exemplified in two cases: a Head and Neck case and a Prostate case. In both cases the modality used is proton beam irradiation and the sources of uncertainties taken into account are positioning (set up) errors and range uncertainties. It is shown how different beam arrangements have an impact on plan robustness which leads to different target expansions necessary to assure a predefined level of plan robustness. The relevance of appropriate beam angle arrangements as a way to minimize uncertainties is demonstrated. Conclusions: A novel method for PTV definition in on beam therapy is presented. The method show promising results by improving the probability of correct dose CTV coverage while reducing the size of the PTV volume. In a clinical scenario this translates into an enhanced tumor control probability while reducing the volume of healthy tissue being irradiated

  16. Masonry Infilling Effect On Seismic Vulnerability and Performance Level of High Ductility RC Frames

    International Nuclear Information System (INIS)

    Ghalehnovi, M.; Shahraki, H.

    2008-01-01

    In last years researchers preferred behavior-based design of structure to force-based one for designing and construction of the earthquake-resistance structures, this method is named performance based designing. The main goal of this method is designing of structure members for a certain performance or behavior. On the other hand in most of buildings, load bearing frames are infilled with masonry materials which leads to considerable changes in mechanical properties of frames. But usually infilling wall's effect has been ignored in nonlinear analysis of structures because of complication of the problem and lack of simple logical solution. As a result lateral stiffness, strength, ductility and performance of the structure will be computed with less accuracy. In this paper by use of Smooth hysteretic model for masonry infillings, some high ductile RC frames (4, 8 stories including 1, 2 and 3 spans) designed according to Iranian code are considered. They have been analyzed by nonlinear dynamic method in two states, with and without infilling. Then their performance has been determined with criteria of ATC 40 and compared with recommended performance in Iranian seismic code (standard No. 2800)

  17. Improved seismic response of rc frame structures by using fluid viscous dampers

    International Nuclear Information System (INIS)

    Khan, Q.S.; Qazi, A.U.; Ilyas, M.

    2013-01-01

    In modern era passive control devices are used to improve the seismic response of structures during large magnitude earthquakes. In this research an analytical study is carried out on commercial FEM program SAP 2000 by modeling five, seven and nine storey RC frame structures. Response to four earthquake ground motions on modeled frame structures is studied and is effectively controlled by varying the characteristic properties of Fluid viscous dampers (FVD). Response in terms of frequency, displacement, velocity, acceleration, storey drift, base shear and energy dissipation is studied. Quantitatively in the modeled frames damage in terms of percentage change in global stiffness and natural frequency is determined. Qualitatively damage in terms of performance levels as per ATC-40 and FEMA-440 is considered. With an increase in Additional Stiffness Ratio of FVD corresponding increase in natural frequency and reduction in dynamic response is observed. FVDs significantly improve structural performance level of frames from Completely Damage to Immediate Occupancy/Operational Level during large magnitude earthquakes. (author)

  18. Experiment and simulation of double-layered RC plates under impact loadings. Part 1: Impact tests for double-layered RC plates

    International Nuclear Information System (INIS)

    Shirai, T.; Ueda, M.; Taniguchi, H.; Kambayashi, A.; Ohno, T.; Ishikawa, N.

    1993-01-01

    At a nuclear power plant facility, it should be of interest and important problem to ensure structures against impact loads induced by projectile impacts or plant-internal accidents. It has been well known that local damage consists of spalling of concrete from the impacted area and scabbing of concrete from the back face of the target together with projectile penetration into the target. There are several techniques for improving the impact resistance of RC slabs, that is, lining with a steel plate on the impacted and/or rear face of the slab, making the slab a double-layered composite slab with an elastic absorber and employing a fiber reinforced concrete or a high-strength concrete as the slab materials. Of the many measures available for withstanding impact loads, the use of a double-layered reinforced concrete (RC) slab with absorber is expected to have the higher resistance in reducing or preventing local damage. This paper presents the results of an experimental investigation on the impact resistance of double-layered RC plates subjected to the impact of projectile. In the experiment, the effects of two parameters; the combination of two RC plates having different thicknesses and the existence of an absorber in the middle layer, are mainly investigated. And, the effects of the concrete thickness (7,9 and 11 cm) and the concrete strength (a normal-:35MPa, a lightweight-:40MPa and a high-strength:57MPa) of target were also examined. RC plates, 0.6m-square, were used for test specimens. The projectile has a mass of 0.43kg, made of steel with a flat nose. An average projectile velocity was about 170m/sec. A rubber plate shaped into a square with the same size of RC plate was used for a double-layered specimen as an absorber which was put between two RC plates. It could be concluded that double-layering and presence of an absorber had a considerable effect on the increase of impact resistance of RC plate. In order to reduce local damage, it is more effective to

  19. 3D ion-scale dynamics of BBFs and their associated emissions in Earth's magnetotail using 3D hybrid simulations and MMS multi-spacecraft observations

    Science.gov (United States)

    Breuillard, H.; Aunai, N.; Le Contel, O.; Catapano, F.; Alexandrova, A.; Retino, A.; Cozzani, G.; Gershman, D. J.; Giles, B. L.; Khotyaintsev, Y. V.; Lindqvist, P. A.; Ergun, R.; Strangeway, R. J.; Russell, C. T.; Magnes, W.; Plaschke, F.; Nakamura, R.; Fuselier, S. A.; Turner, D. L.; Schwartz, S. J.; Torbert, R. B.; Burch, J.

    2017-12-01

    Transient and localized jets of hot plasma, also known as Bursty Bulk Flows (BBFs), play a crucial role in Earth's magnetotail dynamics because the energy input from the solar wind is partly dissipated in their vicinity, notably in their embedded dipolarization front (DF). This dissipation is in the form of strong low-frequency waves that can heat and accelerate energetic particles up to the high-latitude plasma sheet. The ion-scale dynamics of BBFs have been revealed by the Cluster and THEMIS multi-spacecraft missions. However, the dynamics of BBF propagation in the magnetotail are still under debate due to instrumental limitations and spacecraft separation distances, as well as simulation limitations. The NASA/MMS fleet, which features unprecedented high time resolution instruments and four spacecraft separated by kinetic-scale distances, has also shown recently that the DF normal dynamics and its associated emissions are below the ion gyroradius scale in this region. Large variations in the dawn-dusk direction were also observed. However, most of large-scale simulations are using the MHD approach and are assumed 2D in the XZ plane. Thus, in this study we take advantage of both multi-spacecraft observations by MMS and large-scale 3D hybrid simulations to investigate the 3D dynamics of BBFs and their associated emissions at ion-scale in Earth's magnetotail, and their impact on particle heating and acceleration.

  20. The effect of interatomic potential in molecular dynamics simulation of low energy ion implantation

    International Nuclear Information System (INIS)

    Chan, H.Y.; Nordlund, K.; Peltola, J.; Gossmann, H.-J.L.; Ma, N.L.; Srinivasan, M.P.; Benistant, F.; Chan, Lap

    2005-01-01

    Being able to accurately predict dopant profiles at sub-keV implant energies is critical for the microelectronic industry. Molecular Dynamics (MD), with its capability to account for multiple interactions as energy lowers, is an increasingly popular simulation method. We report our work on sub-keV implantation using MD and investigate the effect of different interatomic potentials on the range profiles. As an approximation, only pair potentials are considered in this work. Density Functional Theory (DFT) is used to calculate the pair potentials for a wide range of dopants (B, C, N, F, Si, P, Ga, Ge, As, In and Sb) in single crystalline silicon. A commonly used repulsive potential is also included in the study. Importance of the repulsive and attractive regions of the potential has been investigated with different elements and we show that a potential depicting the right attractive forces is especially important for heavy elements at low energies