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Sample records for extended ion-interaction model

  1. An extended five-stream model for diffusion of ion-implanted dopants in monocrystalline silicon

    International Nuclear Information System (INIS)

    Khina, B.B.

    2007-01-01

    Low-energy high-dose ion implantation of different dopants (P, Sb, As, B and others) into monocrystalline silicon with subsequent thermal annealing is used for the formation of ultra-shallow p-n junctions in modern VLSI circuit technology. During annealing, dopant activation and diffusion in silicon takes place. The experimentally observed phenomenon of transient enhanced diffusion (TED), which is typically ascribed to the interaction of diffusing species with non-equilibrium point defects accumulated in silicon due to ion damage, and formation of small clusters and extended defects, hinders further down scaling of p-n junctions in VLSI circuits. TED is currently a subject of extensive experimental and theoretical investigation in many binary and multicomponent systems. However, the state-of-the-art mathematical models of dopant diffusion, which are based on the so-called 'five-stream' approach, and modern TCAD software packages such as SUPREM-4 (by Silvaco Data Systems, Ltd.) that implement these models encounter severe difficulties in describing TED. Solving the intricate problem of TED suppression and development of novel regimes of ion implantation and rapid thermal annealing is impossible without elaboration of new mathematical models and computer simulation of this complex phenomenon. In this work, an extended five-stream model for diffusion in silicon is developed which takes into account all possible charge states of point defects (vacancies and silicon self-interstitials) and diffusing pairs 'dopant atom-vacancy' and 'dopant atom-silicon self-interstitial'. The model includes the drift terms for differently charged point defects and pairs in the internal electric field and the kinetics of interaction between unlike 'species' (generation and annihilation of pairs and annihilation of point defects). Expressions for diffusion coefficients and numerous sink/source terms that appear in the non-linear, non-steady-state reaction-diffusion equations are derived

  2. Extended Lipkin-type models with residual proton-neutron interaction

    International Nuclear Information System (INIS)

    Stoica, S.

    1999-01-01

    Extended Lipkin-Meshkov-Glick (LMG) models for testing the Random Phase Approximation (RPA) and proton-neutron Random Phase Approximation (pnRPA) methods are developed taking into account explicitly the proton and neutron degrees of freedom. First, an extended LMG model for testing RPA is developed. The proton and neutron Hamiltonians are taken to be of the LMG form and, in addition, a residual proton-neutron interaction is included. Exact solutions in a SU(2) x SU(2) basis as well as the RPA solutions for the energy spectrum of the model Hamiltonian are obtained. Then, the behaviour of the first collective excited state is studied as a function of the interaction parameters of the model using the exact and RPA methods. Secondly, an extended LMG model for testing pnRPA method is developed. Besides the proton and neutron single particle terms two types of residual proton-neutron interactions, one simulating a particle-particle and the other a particle-hole interaction, are included in the model Hamiltonian, so that the model is exactly solvable in an isospin SU(2) x SU(2) basis. The exact and pnRPA spectra of the model Hamiltonian are calculated as a function of the model parameters and compared to each other. Furthermore, charge-changing operators simulating a nuclear beta decay and their action on eigenfunctions of the model Hamiltonian are defined, and transition amplitude of them are calculated using exact and pnRPA wave functions. The best agreement between the exact RPA-type calculations for spectra and transitions, was obtained when the correlated RPA ground state, instead of the uncorrelated HF ground state was employed and when both kinds of residual interactions (i.e. like- and unlike-particle two-body interactions) are included in the model Hamiltonians. (author)

  3. Coulomb interaction rules timescales in potassium ion channel tunneling

    Science.gov (United States)

    De March, N.; Prado, S. D.; Brunnet, L. G.

    2018-06-01

    Assuming the selectivity filter of KcsA potassium ion channel may exhibit quantum coherence, we extend a previous model by Vaziri and Plenio (2010 New J. Phys. 12 085001) to take into account Coulomb repulsion between potassium ions. We show that typical ion transit timescales are determined by this interaction, which imposes optimal input/output parameter ranges. Also, as observed in other examples of quantum tunneling in biological systems, the addition of moderate noise helps coherent ion transport.

  4. Extended defects and hydrogen interactions in ion implanted silicon

    Science.gov (United States)

    Rangan, Sanjay

    The structural and electrical properties of extended defects generated because of ion implantation and the interaction of hydrogen with these defects have been studied in this work. Two distinct themes have been studied, the first where defects are a detrimental and the second where they are useful. In the first scenario, transient enhanced diffusion of boron has been studied and correlated with defect evolution studies due to silicon and argon ion implants. Spreading resistance profiles (SRP) correlated with deep level transient spectroscopy (DLTS) measurements, reveal that a low anneal temperatures (TED at low anneal temperatures (550°C, the effect of hydrogen is lost, due to its out-diffusion. Moreover, due to catastrophic out-diffusion of hydrogen, additional damage is created resulting in deeper junctions in hydrogenated samples, compared to the non-hydrogenated ones. Comparing defect evolution due to Si and Ar ion implants at different anneal temperatures, while the type of defects is the same in the two cases, their (defect) dissolution occurs at lower anneal temperatures (˜850°C) for Si implants. Dissolution for Ar implants seems to occur at higher anneal temperatures. The difference has been attributed to the increased number of vacancies created by Ar to that of silicon implant. In second aspect, nano-cavity formation due to vacancy agglomeration has been studied by helium ion implantation and furnace anneal, where the effect of He dose, implant energy and anneal time have been processing parameters that have been varied. Cavities are formed only when the localized concentration of He is greater than 3 x 1020 cm-3. While at high implant doses, a continuous cavity layer is formed, at low implant doses a discontinuous layer is observed. The formation of cavities at low doses has been observed for the first time. Variation of anneal times reveal that cavities are initially facetted (for short anneal times) and tend to become spherical when annealed for

  5. Ion-ion and ion-solvent interactions in lithium imidazolide electrolytes studied by Raman spectroscopy and DFT models.

    Science.gov (United States)

    Scheers, Johan; Niedzicki, Leszek; Zukowska, Grażyna Z; Johansson, Patrik; Wieczorek, Władysław; Jacobsson, Per

    2011-06-21

    Molecular level interactions are of crucial importance for the transport properties and overall performance of ion conducting electrolytes. In this work we explore ion-ion and ion-solvent interactions in liquid and solid polymer electrolytes of lithium 4,5-dicyano-(2-trifluoromethyl)imidazolide (LiTDI)-a promising salt for lithium battery applications-using Raman spectroscopy and density functional theory calculations. High concentrations of ion associates are found in LiTDI:acetonitrile electrolytes, the vibrational signatures of which are transferable to PEO-based LiTDI electrolytes. The origins of the spectroscopic changes are interpreted by comparing experimental spectra with simulated Raman spectra of model structures. Simple ion pair models in vacuum identify the imidazole nitrogen atom of the TDI anion to be the most important coordination site for Li(+), however, including implicit or explicit solvent effects lead to qualitative changes in the coordination geometry and improved correlation of experimental and simulated Raman spectra. To model larger aggregates, solvent effects are found to be crucial, and we finally suggest possible triplet and dimer ionic structures in the investigated electrolytes. In addition, the effects of introducing water into the electrolytes-via a hydrate form of LiTDI-are discussed.

  6. Influence of nonelectrostatic ion-ion interactions on double-layer capacitance

    Science.gov (United States)

    Zhao, Hui

    2012-11-01

    Recently a Poisson-Helmholtz-Boltzmann (PHB) model [Bohinc , Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.85.031130 85, 031130 (2012)] was developed by accounting for solvent-mediated nonelectrostatic ion-ion interactions. Nonelectrostatic interactions are described by a Yukawa-like pair potential. In the present work, we modify the PHB model by adding steric effects (finite ion size) into the free energy to derive governing equations. The modified PHB model is capable of capturing both ion specificity and ion crowding. This modified model is then employed to study the capacitance of the double layer. More specifically, we focus on the influence of nonelectrostatic ion-ion interactions on charging a double layer near a flat surface in the presence of steric effects. We numerically compute the differential capacitance as a function of the voltage under various conditions. At small voltages and low salt concentrations (dilute solution), we find out that the predictions from the modified PHB model are the same as those from the classical Poisson-Boltzmann theory, indicating that nonelectrostatic ion-ion interactions and steric effects are negligible. At moderate voltages, nonelectrostatic ion-ion interactions play an important role in determining the differential capacitance. Generally speaking, nonelectrostatic interactions decrease the capacitance because of additional nonelectrostatic repulsion among excess counterions inside the double layer. However, increasing the voltage gradually favors steric effects, which induce a condensed layer with crowding of counterions near the electrode. Accordingly, the predictions from the modified PHB model collapse onto those computed by the modified Poisson-Boltzmann theory considering steric effects alone. Finally, theoretical predictions are compared and favorably agree with experimental data, in particular, in concentrated solutions, leading one to conclude that the modified PHB model adequately predicts the diffuse

  7. Transferability of polarizable models for ion-water electrostatic interaction

    International Nuclear Information System (INIS)

    Masia, Marco

    2009-01-01

    Studies of ion-water systems at condensed phase and at interfaces have pointed out that molecular and ionic polarization plays an important role for many phenomena ranging from hydrogen bond dynamics to water interfaces' structure. Classical and ab initio Molecular Dynamics simulations reveal that induced dipole moments at interfaces (e.g. air-water and water-protein) are usually high, hinting that polarizable models to be implemented in classical force fields should be very accurate in reproducing the electrostatic properties of the system. In this paper the electrostatic properties of three classical polarizable models for ion-water interaction are compared with ab initio results both at gas and condensed phase. For Li + - water and Cl - -water dimers the reproducibility of total dipole moments obtained with high level quantum chemical calculations is studied; for the same ions in liquid water, Car-Parrinello Molecular Dynamics simulations are used to compute the time evolution of ionic and molecular dipole moments, which are compared with the classical models. The PD2-H2O model developed by the author and coworkers [Masia et al. J. Chem. Phys. 2004, 121, 7362] together with the gaussian intermolecular damping for ion-water interaction [Masia et al. J. Chem. Phys. 2005, 123, 164505] showed to be the fittest in reproducing the ab initio results from gas to condensed phase, allowing for force field transferability.

  8. Modelling interaction cross sections for intermediate and low energy ions

    International Nuclear Information System (INIS)

    Toburen, L.H.; Shinpaugh, J.L.; Justiniano, E.L.B.

    2002-01-01

    When charged particles slow in tissue they undergo electron capture and loss processes than can have profound effects on subsequent interaction cross sections. Although a large amount of data exists for the interaction of bare charged particles with atoms and molecules, few experiments have been reported for these 'dressed' particles. Projectile electrons contribute to an impact-parameter-dependent screening of the projectile charge that precludes straightforward scaling of energy loss cross sections from those of bare charged particles. The objective of this work is to develop an analytical model for the energy-loss-dependent effects of screening on differential ionisation cross sections that can be used in track structure calculations for high LET ions. As a first step a model of differential ionisation cross sections for bare ions has been combined with a simple screening model to explore cross sections for intermediate and low energy dressed ions in collisions with atomic and molecular gas targets. The model is described briefly and preliminary results compared to measured electron energy spectra. (author)

  9. Baryon-Baryon Interactions ---Nijmegen Extended-Soft-Core Models---

    Science.gov (United States)

    Rijken, T. A.; Nagels, M. M.; Yamamoto, Y.

    We review the Nijmegen extended-soft-core (ESC) models for the baryon-baryon (BB) interactions of the SU(3) flavor-octet of baryons (N, Lambda, Sigma, and Xi). The interactions are basically studied from the meson-exchange point of view, in the spirit of the Yukawa-approach to the nuclear force problem [H. Yukawa, ``On the interaction of Elementary Particles I'', Proceedings of the Physico-Mathematical Society of Japan 17 (1935), 48], using generalized soft-core Yukawa-functions. These interactions are supplemented with (i) multiple-gluon-exchange, and (ii) structural effects due to the quark-core of the baryons. We present in some detail the most recent extended-soft-core model, henceforth referred to as ESC08, which is the most complete, sophisticated, and successful interaction-model. Furthermore, we discuss briefly its predecessor the ESC04-model [Th. A. Rijken and Y. Yamamoto, Phys. Rev. C 73 (2006), 044007; Th. A. Rijken and Y. Yamamoto, Ph ys. Rev. C 73 (2006), 044008; Th. A. Rijken and Y. Yamamoto, nucl-th/0608074]. For the soft-core one-boson-exchange (OBE) models we refer to the literature [Th. A. Rijken, in Proceedings of the International Conference on Few-Body Problems in Nuclear and Particle Physics, Quebec, 1974, ed. R. J. Slobodrian, B. Cuec and R. Ramavataram (Presses Universitè Laval, Quebec, 1975), p. 136; Th. A. Rijken, Ph. D. thesis, University of Nijmegen, 1975; M. M. Nagels, Th. A. Rijken and J. J. de Swart, Phys. Rev. D 17 (1978), 768; P. M. M. Maessen, Th. A. Rijken and J. J. de Swart, Phys. Rev. C 40 (1989), 2226; Th. A. Rijken, V. G. J. Stoks and Y. Yamamoto, Phys. Rev. C 59 (1999), 21; V. G. J. Stoks and Th. A. Rijken, Phys. Rev. C 59 (1999), 3009]. All ingredients of these latter models are also part of ESC08, and so a description of ESC08 comprises all models so far in principle. The extended-soft-core (ESC) interactions consist of local- and non-local-potentials due to (i) one-boson-exchanges (OBE), which are the members of nonets of

  10. Cation–Anion Interactions within the Nucleic Acid Ion Atmosphere Revealed by Ion Counting

    Science.gov (United States)

    Gebala, Magdalena; Giambasu, George M.; Lipfert, Jan; Bisaria, Namita; Bonilla, Steve; Li, Guangchao; York, Darrin M.; Herschlag, Daniel

    2016-01-01

    The ion atmosphere is a critical structural, dynamic, and energetic component of nucleic acids that profoundly affects their interactions with proteins and ligands. Experimental methods that “count” the number of ions thermodynamically associated with the ion atmosphere allow dissection of energetic properties of the ion atmosphere, and thus provide direct comparison to theoretical results. Previous experiments have focused primarily on the cations that are attracted to nucleic acid polyanions, but have also showed that anions are excluded from the ion atmosphere. Herein, we have systematically explored the properties of anion exclusion, testing the zeroth-order model that anions of different identity are equally excluded due to electrostatic repulsion. Using a series of monovalent salts, we find, surprisingly, that the extent of anion exclusion and cation inclusion significantly depends on salt identity. The differences are prominent at higher concentrations and mirror trends in mean activity coefficients of the electrolyte solutions. Salts with lower activity coefficients exhibit greater accumulation of both cations and anions within the ion atmosphere, strongly suggesting that cation–anion correlation effects are present in the ion atmosphere and need to be accounted for to understand electrostatic interactions of nucleic acids. To test whether the effects of cation–anion correlations extend to nucleic acid kinetics and thermodynamics, we followed the folding of P4–P6, a domain of the Tetrahymena group I ribozyme, via single-molecule fluorescence resonance energy transfer in solutions with different salts. Solutions of identical concentration but lower activity gave slower and less favorable folding. Our results reveal hitherto unknown properties of the ion atmosphere and suggest possible roles of oriented ion pairs or anion-bridged cations in the ion atmosphere for electrolyte solutions of salts with reduced activity. Consideration of these new

  11. Modelling the interaction of high energy ions with inert matter, living matter, and moving matter

    International Nuclear Information System (INIS)

    Beuve, Michael

    2007-01-01

    In this report for accreditation to supervise research (HDR), the author proposes a synthetic (and however relatively detailed) overview of his research works in the fields of physics and radiology. The first part addresses works in the field of interaction between ions and inert matter (Monte Carlo simulation of emission induced by ion-solid interaction, simulation by molecular dynamics of pulverization). The second part addresses the interaction between ions and living matter: research strategy, principle of the Local Effect Model (LEM) and influence of its main parameters, LEM experimental assessment, LEM theoretical analysis, role of the cell oxidizing and anti-oxidizing system. The next part addresses the interaction of ions with moving matter: research strategy, lung mechanics modelling and clinical assessments, chest wall mechanics, transformation of movements simulated in 4D scanner imagery

  12. Heavy-ion interactions in relativistic mean-field models

    International Nuclear Information System (INIS)

    Rashdan, M.

    1996-01-01

    The interaction potential between spherical nuclei and the elastic scattering cross section are calculated within relativistic mean-field (linear and non-linear) models, using a generalized relativistic local density approximation. The nuclear densities are calculated self-consistently from the solution of the relativistic mean-field equations. It is found that both the linear and non-linear models predict the characteristic switching-over phenomenon of the heavy-ion nuclear potential, where the potential gets attraction with increasing energy up to some value where it reverses this behaviour. The non-linear NLC model predicts a deeper potential than the linear LW model. The elastic scattering cross section calculated within the non-linear NLC model is in better agreement with experiments than that calculated within the linear LW model. (orig.)

  13. Modeling of heavy metal salt solubility using the Extended UNIQUAC model

    DEFF Research Database (Denmark)

    Iliuta, Maria Cornelia; Thomsen, Kaj; Rasmussen, Peter

    2002-01-01

    Solid-liquid equilibria in complex aqueous systems involving a heavy metal cation (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, or Zn2+) and one or more ions for which Extended UNIQUAC parameters have been published previously are modeled using the Extended UNIQUAC model. Model parameters are determined...

  14. Extending NGOMSL Model for Human-Humanoid Robot Interaction in the Soccer Robotics Domain

    Directory of Open Access Journals (Sweden)

    Rajesh Elara Mohan

    2008-01-01

    Full Text Available In the field of human-computer interaction, the Natural Goals, Operators, Methods, and Selection rules Language (NGOMSL model is one of the most popular methods for modelling knowledge and cognitive processes for rapid usability evaluation. The NGOMSL model is a description of the knowledge that a user must possess to operate the system represented as elementary actions for effective usability evaluations. In the last few years, mobile robots have been exhibiting a stronger presence in commercial markets and very little work has been done with NGOMSL modelling for usability evaluations in the human-robot interaction discipline. This paper focuses on extending the NGOMSL model for usability evaluation of human-humanoid robot interaction in the soccer robotics domain. The NGOMSL modelled human-humanoid interaction design of Robo-Erectus Junior was evaluated and the results of the experiments showed that the interaction design was able to find faults in an average time of 23.84 s. Also, the interaction design was able to detect the fault within the 60 s in 100% of the cases. The Evaluated Interaction design was adopted by our Robo-Erectus Junior version of humanoid robots in the RoboCup 2007 humanoid soccer league.

  15. State-of-charge inconsistency estimation of lithium-ion battery pack using mean-difference model and extended Kalman filter

    Science.gov (United States)

    Zheng, Yuejiu; Gao, Wenkai; Ouyang, Minggao; Lu, Languang; Zhou, Long; Han, Xuebing

    2018-04-01

    State-of-charge (SOC) inconsistency impacts the power, durability and safety of the battery pack. Therefore, it is necessary to measure the SOC inconsistency of the battery pack with good accuracy. We explore a novel method for modeling and estimating the SOC inconsistency of lithium-ion (Li-ion) battery pack with low computation effort. In this method, a second-order RC model is selected as the cell mean model (CMM) to represent the overall performance of the battery pack. A hypothetical Rint model is employed as the cell difference model (CDM) to evaluate the SOC difference. The parameters of mean-difference model (MDM) are identified with particle swarm optimization (PSO). Subsequently, the mean SOC and the cell SOC differences are estimated by using extended Kalman filter (EKF). Finally, we conduct an experiment on a small Li-ion battery pack with twelve cells connected in series. The results show that the evaluated SOC difference is capable of tracking the changing of actual value after a quick convergence.

  16. Modeling of extended defects in silicon

    International Nuclear Information System (INIS)

    Law, M.E.; Jones, K.S.; Earles, S.K.; Lilak, A.D.; Xu, J.W.

    1997-01-01

    Transient Enhanced Diffusion (TED) is one of the biggest modeling challenges present in predicting scaled technologies. Damage from implantation of dopant ions changes the diffusivities of the dopants and precipitates to form complex extended defects. Developing a quantitative model for the extended defect behavior during short time, low temperature anneals is a key to explaining TED. This paper reviews some of the modeling developments over the last several years, and discusses some of the challenges that remain to be addressed. Two examples of models compared to experimental work are presented and discussed

  17. Molecular models of alginic acid: Interactions with calcium ions and calcite surfaces

    Science.gov (United States)

    Perry, Thomas D.; Cygan, Randall T.; Mitchell, Ralph

    2006-07-01

    Cation binding by polysaccharides is observed in many environments and is important for predictive environmental modeling, and numerous industrial and food technology applications. The complexities of these cation-organic interactions are well suited for predictive molecular modeling and the analysis of conformation and configuration of polysaccharides and their influence on cation binding. In this study, alginic acid was chosen as a model polymer system and representative disaccharide and polysaccharide subunits were developed. Molecular dynamics simulation of the torsion angles of the ether linkage between various monomeric subunits identified local and global energy minima for selected disaccharides. The simulations indicate stable disaccharide configurations and a common global energy minimum for all disaccharide models at Φ = 274 ± 7°, Ψ = 227 ± 5°, where Φ and Ψ are the torsion angles about the ether linkage. The ability of disaccharide subunits to bind calcium ions and to associate with the (101¯4) surface of calcite was also investigated. Molecular models of disaccharide interactions with calcite provide binding energy differences for conformations that are related to the proximity and residence densities of the electron-donating moieties with calcium ions on the calcite surface, which are controlled, in part, by the torsion of the ether linkage between monosaccharide units. Dynamically optimized configurations for polymer alginate models with calcium ions were also derived.

  18. Numerical simulation of ion-surface interactions

    International Nuclear Information System (INIS)

    Hou, M.

    1994-01-01

    This paper, based on examples from the author's contribution, aims to illustrate the role of ballistic simulations of the interaction between an ion beam and a surface in the characterization of surface properties. Several aspects of the ion-surface interaction have been modelled to various levels of sophistication by computer simulation. Particular emphasis is given to the ion scattering in the impact mode, in the multiple scattering regime and at grazing incidence, as well as to the Auger emission resulting from electronic excitation. Some examples are then given in order to illustrate the use of the combination between simulation and experiment to study the ion-surface interaction and surface properties. Ion-induced Auger emission, the determination of potentials and of overlay structures are discusse. The possibility to tackle dynamical surface properties by menas of a combination between molecular dynamics, ballistic simulations and ion scattering measurements in then briefly discussed. (orig.)

  19. Modeling of extrinsic extended defect evolution in ion-implanted silicon upon thermal annealing

    International Nuclear Information System (INIS)

    Ortiz, C.J.; Cristiano, F.; Colombeau, B.; Claverie, A.; Cowern, N.E.B.

    2004-01-01

    A physically motivated model that accounts for the spatial and temporal evolution of extended defect distribution in ion-implanted Si is presented. Free physical parameters are extracted from experimental data and by means of a genetic algorithm (GA). Transmission electron microscopy (TEM) data and self-interstitial oversaturation measurements are combined in the same fitting procedure to eliminate unphysical solutions and find the optimum set of parameters. The calibration of parameters shows that binding energies of small self-interstitial clusters exhibit strong minima, as reported in other investigations. It is demonstrated that the calibrated model we propose is able to predict a wide variety of physical phenomena, from the oversaturation of self-interstitials via the mean-size distribution of {1 1 3} defects to the depth distribution of the density of the latter

  20. Structural Analysis of DNA Interactions with Magnesium Ion Studied by Raman Spectroscopy

    OpenAIRE

    S. Ponkumar; P. Duraisamy; N. Iyandurai

    2011-01-01

    Problem statement: In the present study, FT Raman spectroscopy had been used to extend our knowledge about Magnesium ion - DNA interactions at various volume ratios (1:50, 1:20, 1:10 and 1:5). Approach: The analysis of FT Raman data supported the existence of structural specificities in the interaction and also the stability of DNA secondary structure. Results: Results from the Raman spectra clearly indicate that the interaction of Magnesium ion with DNA is mainly through the phosphate groups...

  1. Extended sequence diagram for human system interaction

    International Nuclear Information System (INIS)

    Hwang, Jong Rok; Choi, Sun Woo; Ko, Hee Ran; Kim, Jong Hyun

    2012-01-01

    Unified Modeling Language (UML) is a modeling language in the field of object oriented software engineering. The sequence diagram is a kind of interaction diagram that shows how processes operate with one another and in what order. It is a construct of a message sequence chart. It depicts the objects and classes involved in the scenario and the sequence of messages exchanged between the objects needed to carry out the functionality of the scenario. This paper proposes the Extended Sequence Diagram (ESD), which is capable of depicting human system interaction for nuclear power plants, as well as cognitive process of operators analysis. In the conventional sequence diagram, there is a limit to only identify the activities of human and systems interactions. The ESD is extended to describe operators' cognitive process in more detail. The ESD is expected to be used as a task analysis method for describing human system interaction. The ESD can also present key steps causing abnormal operations or failures and diverse human errors based on cognitive condition

  2. Improved OCV Model of a Li-Ion NMC Battery for Online SOC Estimation Using the Extended Kalman Filter

    Directory of Open Access Journals (Sweden)

    Ines Baccouche

    2017-05-01

    Full Text Available Accurate modeling of the nonlinear relationship between the open circuit voltage (OCV and the state of charge (SOC is required for adaptive SOC estimation during the lithium-ion (Li-ion battery operation. Online SOC estimation should meet several constraints, such as the computational cost, the number of parameters, as well as the accuracy of the model. In this paper, these challenges are considered by proposing an improved simplified and accurate OCV model of a nickel manganese cobalt (NMC Li-ion battery, based on an empirical analytical characterization approach. In fact, composed of double exponential and simple quadratic functions containing only five parameters, the proposed model accurately follows the experimental curve with a minor fitting error of 1 mV. The model is also valid at a wide temperature range and takes into account the voltage hysteresis of the OCV. Using this model in SOC estimation by the extended Kalman filter (EKF contributes to minimizing the execution time and to reducing the SOC estimation error to only 3% compared to other existing models where the estimation error is about 5%. Experiments are also performed to prove that the proposed OCV model incorporated in the EKF estimator exhibits good reliability and precision under various loading profiles and temperatures.

  3. Ion beam modification of solids ion-solid interaction and radiation damage

    CERN Document Server

    Wesch, Werner

    2016-01-01

    This book presents the method of ion beam modification of solids in realization, theory and applications in a comprehensive way. It provides a review of the physical basics of ion-solid interaction and on ion-beam induced structural modifications of solids. Ion beams are widely used to modify the physical properties of materials. A complete theory of ion stopping in matter and the calculation of the energy loss due to nuclear and electronic interactions are presented including the effect of ion channeling. To explain structural modifications due to high electronic excitations, different concepts are presented with special emphasis on the thermal spike model. Furthermore, general concepts of damage evolution as a function of ion mass, ion fluence, ion flux and temperature are described in detail and their limits and applicability are discussed. The effect of nuclear and electronic energy loss on structural modifications of solids such as damage formation, phase transitions and amorphization is reviewed for ins...

  4. Three Dimensional Explicit Model for Cometary Tail Ions Interactions with Solar Wind

    Science.gov (United States)

    Al Bermani, M. J. F.; Alhamed, S. A.; Khalaf, S. Z.; Ali, H. Sh.; Selman, A. A.

    2009-06-01

    The different interactions between cometary tail and solar wind ions are studied in the present paper based on three-dimensional Lax explicit method. The model used in this research is based on the continuity equations describing the cometary tail-solar wind interactions. Three dimensional system was considered in this paper. Simulation of the physical system was achieved using computer code written using Matlab 7.0. The parameters studied here assumed Halley comet type and include the particle density rho, the particles velocity v, the magnetic field strength B, dynamic pressure p and internal energy E. The results of the present research showed that the interaction near the cometary nucleus is mainly affected by the new ions added to the plasma of the solar wind, which increases the average molecular weight and result in many unique characteristics of the cometary tail. These characteristics were explained in the presence of the IMF.

  5. A Statistical Thermodynamic Model for Ligands Interacting With Ion Channels: Theoretical Model and Experimental Validation of the KCNQ2 Channel

    Directory of Open Access Journals (Sweden)

    Fang Bai

    2018-03-01

    Full Text Available Ion channels are important therapeutic targets, and their pharmacology is becoming increasingly important. However, knowledge of the mechanism of interaction of the activators and ion channels is still limited due to the complexity of the mechanisms. A statistical thermodynamic model has been developed in this study to characterize the cooperative binding of activators to ion channels. By fitting experimental concentration-response data, the model gives eight parameters for revealing the mechanism of an activator potentiating an ion channel, i.e., the binding affinity (KA, the binding cooperative coefficients for two to four activator molecules interacting with one channel (γ, μ, and ν, and the channel conductance coefficients for four activator binding configurations of the channel (a, b, c, and d. Values for the model parameters and the mechanism underlying the interaction of ztz240, a proven KCNQ2 activator, with the wild-type channel have been obtained and revealed by fitting the concentration-response data of this activator potentiating the outward current amplitudes of KCNQ2. With these parameters, our model predicted an unexpected bi-sigmoid concentration-response curve of ztz240 activation of the WT-F137A mutant heteromeric channel that was in good agreement with the experimental data determined in parallel in this study, lending credence to the assumptions on which the model is based and to the model itself. Our model can provide a better fit to the measured data than the Hill equation and estimates the binding affinity, as well as the cooperative coefficients for the binding of activators and conductance coefficients for binding states, which validates its use in studying ligand-channel interaction mechanisms.

  6. A simple model for low energy ion-solid interactions

    International Nuclear Information System (INIS)

    Mohajerzadeh, S.; Selvakumar, C.R.

    1997-01-01

    A simple analytical model for ion-solid interactions, suitable for low energy beam depositions, is reported. An approximation for the nuclear stopping power is used to obtain the analytic solution for the deposited energy in the solid. The ratio of the deposited energy in the bulk to the energy deposited in the surface yields a ceiling for the beam energy above which more defects are generated in the bulk resulting in defective films. The numerical evaluations agree with the existing results in the literature. copyright 1997 American Institute of Physics

  7. The role of the ion-molecule and molecule-molecule interactions in the formation of the two-ion average force interaction potential

    CERN Document Server

    Ajrian, E A; Sidorenko, S N

    2002-01-01

    The effect of the ion-molecule and intermolecular interactions on the formation of inter-ion average force potentials is investigated within the framework of a classical ion-dipole model of electrolyte solutions. These potentials are shown to possess the Coulomb asymptotics at large distances while in the region of mean distances they reveal creation and disintegration of solvent-shared ion pairs. The calculation results provide a qualitatively authentic physical picture which is experimentally observed in strong electrolytes solutions. In particular, an increased interaction between an ion and a molecule enhances formation of ion pairs in which the ions are separated by one solvent molecule

  8. Isopiestic Determination of the Osmotic and Activity Coefficients of Li2SO4(aq) at T=298.15 and 323.15 K, and Representation with an Extended Ion-Interaction (Pitzer) Model

    Energy Technology Data Exchange (ETDEWEB)

    Rard, Joseph A. [Lawrence Livermore National Laboratory (LLNL); Clegg, Simon L. [University of East Anglia, Norwich, United Kingdom; Palmer, Donald [ORNL

    2007-01-01

    Isopiestic vapor-pressure measurements were made for Li{sub 2}SO{sub 4}(aq) from 0.1069 to 2.8190 mol{center_dot}kg{sup -1} at 298.15 K, and from 0.1148 to 2.7969 mol{center_dot}kg{sup -1} at 323.15 K, with NaCl(aq) as the reference standard. Published thermodynamic data for this system were reviewed, recalculated for consistency, and critically assessed. The present results and the more reliable published results were used to evaluate the parameters of an extended version of Pitzer's ion-interaction model with an ionic-strength dependent third-virial coefficient, as well as those of the standard Pitzer model, for the osmotic and activity coefficients at both temperatures. Published enthalpies of dilution at 298.15 K were also analyzed to yield the parameters of the ion-interaction models for the relative apparent molar enthalpies of dilution. The resulting models at 298.15 K are valid to the saturated solution molality of the thermodynamically stable phase Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O(cr). Solubilities of Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O(cr) at 298.15 K were assessed and the selected value of m(sat.)=3.13{+-}0.04 mol{center_dot}kg{sup -1} was used to evaluate the thermodynamic solubility product K {sub s}(Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O, cr, 298.15 K) = (2.62{+-}0.19) and a CODATA-compatible standard molar Gibbs energy of formation {Delta}{sub f} G m{sup 0}(Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O, cr, 298.15 K) = -(1564.6{+-}0.5) kJ{center_dot}mol{sup -1}.

  9. Ion-ion interaction and energy transfer of 4+ transuranium ions in cerium tetrafluoride

    International Nuclear Information System (INIS)

    Liu, G.K.; Beitz, J.V.

    1990-01-01

    Dynamics of excited 5f electron states of the transuranium ions Cm 4+ and Bk 4+ in CeF 4 are compared. Based on time- and wavelength-resolved laser-induced fluorescence, excitation energy transfer processes have been probed. Depending on concentration and electronic energy level structure of the studied 4+ transuranium ion, the dominant energy transfer mechanisms were identified as cross relaxation, exciton-exciton annihilation, and trapping. Energy transfer rates derived from the fitting of the observed fluorescence decays to theoretical models, based on electric multipolar ion-ion interactions, are contrasted with prior studies of 4f states of 3+ lanthanide and 3d states of transition metal ions. 16 refs., 1 tab

  10. Off-site interaction effect in the Extended Hubbard Model with the SCRPA method

    International Nuclear Information System (INIS)

    Harir, S; Bennai, M; Boughaleb, Y

    2007-01-01

    The self consistent random phase approximation (SCRPA) and a direct analytical (DA) method are proposed to solve the Extended Hubbard Model (EHM) in one dimension (1D). We have considered an EHM including on-site and off-site interactions for closed chains in 1D with periodic boundary conditions. The comparison of the SCRPA results with the ones obtained by a DA approach shows that the SCRPA treats the problem of these closed chains in a rigorous manner. The analysis of the nearest-neighbour repulsion effect on the dynamics of our closed chains shows that this repulsive interaction between the electrons of the neighbouring atoms induces supplementary conductivity, since, the SCRPA energygap vanishes when these closed chains are governed by a strong repulsive on-site interaction and intermediate nearest-neighbour repulsion

  11. New particle-hole symmetries and the extended interacting boson model

    CERN Document Server

    De Coster, C; Decroix, B; Heyde, Kris L G; Oros, A M

    1998-01-01

    We describe shape coexistence and intruder many-particle-hole (mp-nh)excitations in the extended interacting boson model EIBM and EIBM-2,combining both the particle-hole and the charge degree of freedom.Besides the concept of I-spin multiplets and subsequently $SU(4)$ multiplets, we touch upon the existence of particle-hole mixed symmetry states. We furthermore describe regular and intrudermany-particle-hole excitations in one nucleus on an equal footing, creating (annihilating) particle-hole pairs using the K-spin operatorand studying possible mixing between these states. As a limiting case,we treat the coupling of two IBM-1 Hamiltonians, each decribing the regular and intruder excitations respectively, in particular lookingat the $U(5)$-$SU(3)$ dynamical symmetry coupling. We apply such coupling scheme to the Po isotopes.

  12. Interaction of energetic ions with high-density plasmas

    International Nuclear Information System (INIS)

    Gericke, D.O.; Edie, D.; Grinenko, A.; Vorberger, J.

    2010-01-01

    Complete text of publication follows. The talk will review the importance of energetic ions in different inertial confinement fusion scenarios: i) heavy ion beams are very efficient drivers that can deliver the energy for compression in indirect as well as direct drive approaches; ii) the interaction of α-particles, that are created in a burning plasma, with the surrounding cold plasma is essential for creating a burn wave; iii) laser-produced ion beams are also a strong candidate to create the hot spot needed for fast ignition. In all applications the ions interact with dense matter that is characterized by strongly coupled ions and (possibly) partially degenerate electrons. Moreover, the coupling between beam ions and target electrons can be strong as well. Under these conditions, standard approaches for the beam-plasma interactions process are known to fail. The presentation will demonstrate how advanced models for the energy loss of ions in dense plasmas can resolve the issues mentioned above. These models are largely built on quantum kinetic theory that is able to describe degeneracy and strong coupling in a systematic way. In particular, strong interactions require a quantum description for electron-ion collisions in dense plasma environments, which is done by direct solutions of the Schroedinger equation. Degeneracy and collective excitations can be included via the Lenard-Balescu description where strong interactions may be included via a pseudo-potential approach. Finally, results are shown for all three fusion applications described above. The effects related to strong coupling and degeneracy mainly concern the end of the stopping range where the beam ion dose not have enough energy to excite all possible degrees of freedom and, thus, certain processes are frozen out. However, we also find a significant reduction of the range for swift heavy ions in the GeV-range when stopping in dense matter is considered. The stopping range of α-particles in the

  13. Ion mobilities and ion-atom interaction potentials

    International Nuclear Information System (INIS)

    Gatland, I.R.

    1982-01-01

    The techniques for measuring the mobilities of ions in gases, relating interaction potentials to mobilities, and determining potentials from experimental mobilities are reviewed. Applications are presented for positive alkali ions and negative halogen ions in inert gases. (Auth.)

  14. A model of the extended electron and its nonlocal electromagnetic interaction: Gauge invariance of the nonlocal theory

    International Nuclear Information System (INIS)

    Namsrai, Kh.; Nyamtseren, N.

    1994-09-01

    A model of the extended electron is constructed by using definition of the d-operation. Gauge invariance of the nonlocal theory is proved. We use the Efimov approach to describe the nonlocal interaction of quantized fields. (author). 4 refs

  15. Modelling heavy-ion energy deposition in extended media

    International Nuclear Information System (INIS)

    Mishustin, I.; Pshenichnov, I.; Greiner, W.; Mishustin, I.; Pshenichnov, I.

    2010-01-01

    We present recent developments of the Monte Carlo model for heavy-ion therapy (MCHIT), which is currently based on the Geant4 tool-kit of version 9.2. The major advancement of the model concerns the modelling of violent fragmentation reactions by means of the Fermi break-up model, which is used to simulate decays of hot fragments created after the first stage of nucleus-nucleus collisions. By means of MCHIT we study the dose distributions from therapeutic beams of carbon nuclei in tissue-like materials, like water and PMMA. The contributions to the total dose from primary beam nuclei and from charged secondary fragments produced in nuclear fragmentation reactions are calculated. The build-up of secondary fragments along the beam axis is calculated and compared with available experimental data. Finally, we demonstrate the impact of violent multifragment decays on energy distributions of secondary neutrons produced by carbon nuclei in water. (authors)

  16. Modelling heavy-ion energy deposition in extended media

    Energy Technology Data Exchange (ETDEWEB)

    Mishustin, I.; Pshenichnov, I.; Greiner, W. [Frankfurt Institute for Advanced Studies, J.-W. Goethe University, Frankfurt am Main (Germany); Mishustin, I. [Kurchatov Institute, Russian Research Center, Moscow (Russian Federation); Pshenichnov, I. [Institute for Nuclear Research, Russian Academy of Science, Moscow (Russian Federation)

    2010-10-15

    We present recent developments of the Monte Carlo model for heavy-ion therapy (MCHIT), which is currently based on the Geant4 tool-kit of version 9.2. The major advancement of the model concerns the modelling of violent fragmentation reactions by means of the Fermi break-up model, which is used to simulate decays of hot fragments created after the first stage of nucleus-nucleus collisions. By means of MCHIT we study the dose distributions from therapeutic beams of carbon nuclei in tissue-like materials, like water and PMMA. The contributions to the total dose from primary beam nuclei and from charged secondary fragments produced in nuclear fragmentation reactions are calculated. The build-up of secondary fragments along the beam axis is calculated and compared with available experimental data. Finally, we demonstrate the impact of violent multifragment decays on energy distributions of secondary neutrons produced by carbon nuclei in water. (authors)

  17. Charged patchy particle models in explicit salt: Ion distributions, electrostatic potentials, and effective interactions.

    Science.gov (United States)

    Yigit, Cemil; Heyda, Jan; Dzubiella, Joachim

    2015-08-14

    We introduce a set of charged patchy particle models (CPPMs) in order to systematically study the influence of electrostatic charge patchiness and multipolarity on macromolecular interactions by means of implicit-solvent, explicit-ion Langevin dynamics simulations employing the Gromacs software. We consider well-defined zero-, one-, and two-patched spherical globules each of the same net charge and (nanometer) size which are composed of discrete atoms. The studied mono- and multipole moments of the CPPMs are comparable to those of globular proteins with similar size. We first characterize ion distributions and electrostatic potentials around a single CPPM. Although angle-resolved radial distribution functions reveal the expected local accumulation and depletion of counter- and co-ions around the patches, respectively, the orientation-averaged electrostatic potential shows only a small variation among the various CPPMs due to space charge cancellations. Furthermore, we study the orientation-averaged potential of mean force (PMF), the number of accumulated ions on the patches, as well as the CPPM orientations along the center-to-center distance of a pair of CPPMs. We compare the PMFs to the classical Derjaguin-Verwey-Landau-Overbeek theory and previously introduced orientation-averaged Debye-Hückel pair potentials including dipolar interactions. Our simulations confirm the adequacy of the theories in their respective regimes of validity, while low salt concentrations and large multipolar interactions remain a challenge for tractable theoretical descriptions.

  18. Tensor interaction in heavy-ion scattering. Pt. 1

    International Nuclear Information System (INIS)

    Nishioka, H.; Johnson, R.C.

    1985-01-01

    The Heidelberg shape-effect model for heavy-ion tensor interactions is reformulated and generalized using the Hooton-Johnson formulation. The generalized semiclassical model (the turning-point model) predicts that the components of the tensor analysing power anti Tsub(2q) have certain relations with each other for each type of tensor interaction (Tsub(R), Tsub(P) and Tsub(L) types). The predicted relations between the anti Tsub(2q) are very simple and have a direct connection with the properties of the tensor interaction at the turning point. The model predictions are satisfied in quantum-mechanical calculations for 7 Li and 23 Na elastic scattering from 58 Ni in the Fresnel-diffraction energy region. As a consequence of this model, it becomes possible to single out effects from a Tsub(P)- or Tsub(L)-type tensor interaction in polarized heavy-ion scattering. The presence of a Tsub(P)-type tensor interaction is suggested by measured anti T 20 /anti T 22 ratios for 7 Li + 58 Ni scattering. In the turning-point model the three types of tensor operator are not independent, and this is found to be true also in a quantum-mechanical calculation. The model also predicts relations between the components of higher-rank tensor analysing power in the presence of a higher-rank tensor interaction. The rank-3 tensor case is discussed in detail. (orig.)

  19. Modelling radiation fields of ion beams in tissue-like materials

    International Nuclear Information System (INIS)

    Burigo, Lucas Norberto

    2014-01-01

    Fast nuclei are ionizing radiation which can cause deleterious effects to irradiated cells. The modelling of the interactions of such ions with matter and the related effects are very important to physics, radiobiology, medicine and space science and technology. A powerful method to study the interactions of ionizing radiation with biological systems was developed in the field of microdosimetry. Microdosimetry spectra characterize the energy deposition to objects of cellular size, i.e., a few micrometers. In the present thesis the interaction of ions with tissue-like media was investigated using the Monte Carlo model for Heavy-Ion Therapy (MCHIT) developed at the Frankfurt Institute for Advanced Studies. MCHIT is a Geant4-based application intended to benchmark the physical models of Geant4 and investigate the physical properties of therapeutic ion beams. We have implemented new features in MCHIT in order to calculate microdosimetric quantities characterizing the radiation fields of accelerated nucleons and nuclei. The results of our Monte Carlo simulations were compared with recent experimental microdosimetry data. In addition to microdosimetry calculations with MCHIT, we also investigated the biological properties of ion beams, e.g. their relative biological effectiveness (RBE), by means of the modified Microdosimetric-Kinetic model (MKM). The MKM uses microdosimetry spectra in describing cell response to radiation. MCHIT+MKM allowed us to study the physical and biological properties of ion beams. The main results of the thesis are as follows: MCHIT is able to describe the spatial distribution of the physical dose in tissue-like media and microdosimetry spectra for ions with energies relevant to space research and ion-beam cancer therapy; MCHIT+MKM predicts a reduction of the biological effectiveness of ions propagating in extended medium due to nuclear fragmentation reactions; We predicted favourable biological dose-depth profiles for monoenergetic helium and

  20. Incorporating water-release and lateral protein interactions in modeling equilibrium adsorption for ion-exchange chromatography.

    Science.gov (United States)

    Thrash, Marvin E; Pinto, Neville G

    2006-09-08

    The equilibrium adsorption of two albumin proteins on a commercial ion exchanger has been studied using a colloidal model. The model accounts for electrostatic and van der Waals forces between proteins and the ion exchanger surface, the energy of interaction between adsorbed proteins, and the contribution of entropy from water-release accompanying protein adsorption. Protein-surface interactions were calculated using methods previously reported in the literature. Lateral interactions between adsorbed proteins were experimentally measured with microcalorimetry. Water-release was estimated by applying the preferential interaction approach to chromatographic retention data. The adsorption of ovalbumin and bovine serum albumin on an anion exchanger at solution pH>pI of protein was measured. The experimental isotherms have been modeled from the linear region to saturation, and the influence of three modulating alkali chlorides on capacity has been evaluated. The heat of adsorption is endothermic for all cases studied, despite the fact that the net charge on the protein is opposite that of the adsorbing surface. Strong repulsive forces between adsorbed proteins underlie the endothermic heat of adsorption, and these forces intensify with protein loading. It was found that the driving force for adsorption is the entropy increase due to the release of water from the protein and adsorbent surfaces. It is shown that the colloidal model predicts protein adsorption capacity in both the linear and non-linear isotherm regions, and can account for the effects of modulating salt.

  1. Extended Hubbard models for ultracold atoms in optical lattices

    International Nuclear Information System (INIS)

    Juergensen, Ole

    2015-01-01

    In this thesis, the phase diagrams and dynamics of various extended Hubbard models for ultracold atoms in optical lattices are studied. Hubbard models are the primary description for many interacting particles in periodic potentials with the paramount example of the electrons in solids. The very same models describe the behavior of ultracold quantum gases trapped in the periodic potentials generated by interfering beams of laser light. These optical lattices provide an unprecedented access to the fundamentals of the many-particle physics that govern the properties of solid-state materials. They can be used to simulate solid-state systems and validate the approximations and simplifications made in theoretical models. This thesis revisits the numerous approximations underlying the standard Hubbard models with special regard to optical lattice experiments. The incorporation of the interaction between particles on adjacent lattice sites leads to extended Hubbard models. Offsite interactions have a strong influence on the phase boundaries and can give rise to novel correlated quantum phases. The extended models are studied with the numerical methods of exact diagonalization and time evolution, a cluster Gutzwiller approximation, as well as with the strong-coupling expansion approach. In total, this thesis demonstrates the high relevance of beyond-Hubbard processes for ultracold atoms in optical lattices. Extended Hubbard models can be employed to tackle unexplained problems of solid-state physics as well as enter previously inaccessible regimes.

  2. Extended Hubbard models for ultracold atoms in optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Juergensen, Ole

    2015-06-05

    In this thesis, the phase diagrams and dynamics of various extended Hubbard models for ultracold atoms in optical lattices are studied. Hubbard models are the primary description for many interacting particles in periodic potentials with the paramount example of the electrons in solids. The very same models describe the behavior of ultracold quantum gases trapped in the periodic potentials generated by interfering beams of laser light. These optical lattices provide an unprecedented access to the fundamentals of the many-particle physics that govern the properties of solid-state materials. They can be used to simulate solid-state systems and validate the approximations and simplifications made in theoretical models. This thesis revisits the numerous approximations underlying the standard Hubbard models with special regard to optical lattice experiments. The incorporation of the interaction between particles on adjacent lattice sites leads to extended Hubbard models. Offsite interactions have a strong influence on the phase boundaries and can give rise to novel correlated quantum phases. The extended models are studied with the numerical methods of exact diagonalization and time evolution, a cluster Gutzwiller approximation, as well as with the strong-coupling expansion approach. In total, this thesis demonstrates the high relevance of beyond-Hubbard processes for ultracold atoms in optical lattices. Extended Hubbard models can be employed to tackle unexplained problems of solid-state physics as well as enter previously inaccessible regimes.

  3. Extended wave-packet model to calculate energy-loss moments of protons in matter

    Science.gov (United States)

    Archubi, C. D.; Arista, N. R.

    2017-12-01

    In this work we introduce modifications to the wave-packet method proposed by Kaneko to calculate the energy-loss moments of a projectile traversing a target which is represented in terms of Gaussian functions for the momentum distributions of electrons in the atomic shells. These modifications are introduced using the Levine and Louie technique to take into account the energy gaps corresponding to the different atomic levels of the target. We use the extended wave-packet model to evaluate the stopping power, the energy straggling, the inverse mean free path, and the ionization cross sections for protons in several targets, obtaining good agreements for all these quantities on an extensive energy range that covers low-, intermediate-, and high-energy regions. The extended wave-packet model proposed here provides a method to calculate in a very straightforward way all the significant terms of the inelastic interaction of light ions with any element of the periodic table.

  4. Interaction of singly and multiply charged ions with a lithium-fluoride surface

    International Nuclear Information System (INIS)

    Wirtz, L.

    2001-10-01

    Charge transfer between slow ions and an ionic crystal surface still poses a considerable challenge to theory due to the intrinsic many-body character of the system. For the neutralization of multiply charged ions in front of metal surfaces, the Classical Over the Barrier (COB) model is a widely used tool. We present an extension of this model to ionic crystal surfaces where the localization of valence electrons at the anion sites and the lack of cylindrical symmetry of the ion-surface system impede a simple analytical estimate of electron transfer rates. We use a classical trajectory Monte Carlo approach to calculate electron transfer rates for different charge states of the projectile ion. With these rates we perform a Monte Carlo simulation of the neutralization of slow Ne10+ ions in vertical incidence on an LiF surface. Capture of one or several electrons may lead to a local positive charge up of the surface. The projectile dynamics depends on the balance between the repulsion due to this charge and the attraction due to the self-image potential. In a simulation that treats electronic and nuclear dynamics simultaneously, we show that the image attraction dominates over the repulsive force. Backscattering of very slow multiply charged projectiles high above the surface without touching it ('trampoline effect') does not take place. Instead, the projectile ion penetrates into the surface or is reflected due to close binary collision with surface ions. The case of a singly charged ion in front of an LiF surface is within the reach of ab-initio calculations. We use a multi-configuration self consistent field (MCSCF) and a multi-reference configuration interaction (MR-CI) method to calculate adiabatic potential energy curves for a system consisting of the projectile ion and an embedded cluster of surface ions. With increasing cluster size, the energy levels of the embedded cluster converge towards the band structure of the infinitely extended solid. Due to

  5. Hyperfine interaction studies with pulsed heavy-ion beams

    International Nuclear Information System (INIS)

    Raghavan, P.

    1985-01-01

    Heavy-ion reactions using pulsed beams have had a strong impact on the study of hyperfine interactions. Unique advantages offered by this technique have considerably extended the scope, detail and systematic range of its applications beyond that possible with radioactivity or light-ion reaction. This survey will cover a brief description of the methodological aspects of the field and recent applications to selected problems in nuclear and solid state physiscs illustrating its role. These include measurements of nuclear magnetic and electric quadrupole moments of high spin isomers, measurements of hyperfine magnetic fields at impurities in 3d and rare-earths ferromagnetic hosts, studies of paramagnetic systems, especially those exhibiting valence instabilities, and investigations of electric field gradients of impurities in noncubic metals. Future prospects of this technique will be briefly assessed. (orig.)

  6. INTERACTION OF NEUTRAL BEAM INJECTED FAST IONS WITH ION CYCLOTRON RESONANCE FREQUENCY WAVES

    International Nuclear Information System (INIS)

    CHOI, M.; CHAN, V.S.; CHIU, S.C.; OMELCHENKO, Y.A.; SENTOKU, Y.; STJOH, H.E.

    2003-01-01

    OAK B202 INTERACTION OF NEUTRAL BEAM INJECTED FAST IONS WITH CYCLOTRON RESONANCE FREQUENCY WAVES. Existing tokamaks such as DIII-D and future experiments like ITER employ both NB injection (NBI) and ion-cyclotron resonance heating (ICRH) for auxiliary heating and current drive. The presence of energetic particles produced by NBI can result in absorption of the Ion cyclotron radio frequency (ICRF) power. ICRF can also interact with the energetic beam ions to alter the characteristics of NBI momentum deposition and resultant impact on current drive and plasma rotation. To study the synergism between NBI and ICRF, a simple physical model for the slowing-down of NB injected fast ions is implemented in a Monte-Carlo rf orbit code. This paper presents the first results. The velocity space distributions of energetic ions generated by ICRF and NBI are calculated and compared. The change in mechanical momentum of the beam and an estimate of its impact on the NB-driven current are presented and compared with ONETWO simulation results

  7. Development of a lifetime prediction model for lithium-ion batteries based on extended accelerated aging test data

    Science.gov (United States)

    Ecker, Madeleine; Gerschler, Jochen B.; Vogel, Jan; Käbitz, Stefan; Hust, Friedrich; Dechent, Philipp; Sauer, Dirk Uwe

    2012-10-01

    Battery lifetime prognosis is a key requirement for successful market introduction of electric and hybrid vehicles. This work aims at the development of a lifetime prediction approach based on an aging model for lithium-ion batteries. A multivariable analysis of a detailed series of accelerated lifetime experiments representing typical operating conditions in hybrid electric vehicle is presented. The impact of temperature and state of charge on impedance rise and capacity loss is quantified. The investigations are based on a high-power NMC/graphite lithium-ion battery with good cycle lifetime. The resulting mathematical functions are physically motivated by the occurring aging effects and are used for the parameterization of a semi-empirical aging model. An impedance-based electric-thermal model is coupled to the aging model to simulate the dynamic interaction between aging of the battery and the thermal as well as electric behavior. Based on these models different drive cycles and management strategies can be analyzed with regard to their impact on lifetime. It is an important tool for vehicle designers and for the implementation of business models. A key contribution of the paper is the parameterization of the aging model by experimental data, while aging simulation in the literature usually lacks a robust empirical foundation.

  8. Explicit ions/implicit water generalized Born model for nucleic acids

    Science.gov (United States)

    Tolokh, Igor S.; Thomas, Dennis G.; Onufriev, Alexey V.

    2018-05-01

    The ion atmosphere around highly charged nucleic acid molecules plays a significant role in their dynamics, structure, and interactions. Here we utilized the implicit solvent framework to develop a model for the explicit treatment of ions interacting with nucleic acid molecules. The proposed explicit ions/implicit water model is based on a significantly modified generalized Born (GB) model and utilizes a non-standard approach to define the solute/solvent dielectric boundary. Specifically, the model includes modifications to the GB interaction terms for the case of multiple interacting solutes—disconnected dielectric boundary around the solute-ion or ion-ion pairs. A fully analytical description of all energy components for charge-charge interactions is provided. The effectiveness of the approach is demonstrated by calculating the potential of mean force for Na+-Cl- ion pair and by carrying out a set of Monte Carlo (MC) simulations of mono- and trivalent ions interacting with DNA and RNA duplexes. The monovalent (Na+) and trivalent (CoHex3+) counterion distributions predicted by the model are in close quantitative agreement with all-atom explicit water molecular dynamics simulations used as reference. Expressed in the units of energy, the maximum deviations of local ion concentrations from the reference are within kBT. The proposed explicit ions/implicit water GB model is able to resolve subtle features and differences of CoHex distributions around DNA and RNA duplexes. These features include preferential CoHex binding inside the major groove of the RNA duplex, in contrast to CoHex biding at the "external" surface of the sugar-phosphate backbone of the DNA duplex; these differences in the counterion binding patters were earlier shown to be responsible for the observed drastic differences in condensation propensities between short DNA and RNA duplexes. MC simulations of CoHex ions interacting with the homopolymeric poly(dA.dT) DNA duplex with modified (de

  9. Modeling and simulation of protein elution in linear pH and salt gradients on weak, strong and mixed cation exchange resins applying an extended Donnan ion exchange model.

    Science.gov (United States)

    Wittkopp, Felix; Peeck, Lars; Hafner, Mathias; Frech, Christian

    2018-04-13

    Process development and characterization based on mathematic modeling provides several advantages and has been applied more frequently over the last few years. In this work, a Donnan equilibrium ion exchange (DIX) model is applied for modelling and simulation of ion exchange chromatography of a monoclonal antibody in linear chromatography. Four different cation exchange resin prototypes consisting of weak, strong and mixed ligands are characterized using pH and salt gradient elution experiments applying the extended DIX model. The modelling results are compared with the results using a classic stoichiometric displacement model. The Donnan equilibrium model is able to describe all four prototype resins while the stoichiometric displacement model fails for the weak and mixed weak/strong ligands. Finally, in silico chromatogram simulations of pH and pH/salt dual gradients are performed to verify the results and to show the consistency of the developed model. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Electronic structures in ion-surface interactions

    International Nuclear Information System (INIS)

    Kiuchi, Masato; Takeuchi, Takae; Yamamoto, Masao.

    1997-01-01

    A chemical bond generated by the interaction between low energy ion and base was investigated by ab initio molecular orbital method. The effects of ion charge were studied by calculation of this method. When carbon ion approached to graphite base (C 24 H 12 ), the positive ion and the neutral atom covalently bonded, but the negative ion did not combine with it. When carbon ion was injected into h-BN base (B 12 N 12 H 12 , hexagonal system boron nitride), the positive ion and the neutron atom formed covalent bond and the van der Waals binding, and the negative ion interacted statically with it. (S.Y.)

  11. Effects of a multi-quark interaction on color superconducting phase transition in an extended NJL model

    International Nuclear Information System (INIS)

    Kashiwa, Kouji; Matsuzaki, Masayuki; Kouno, Hiroaki; Yahiro, Masanobu

    2007-01-01

    We study the interplay of the chiral and the color superconducting phase transition in an extended Nambu-Jona-Lasinio model with a multi-quark interaction that produces the nonlinear chiral-diquark coupling. We observe that this nonlinear coupling adds up coherently with the ω 2 interaction to either produce the chiral-color superconductivity coexistence phase or cancel each other depending on its sign. We discuss that a large coexistence region in the phase diagram is consistent with the quark-diquark picture for the nucleon whereas its smallness is the prerequisite for the applicability of the Ginzburg-Landau approach

  12. Two dimensional simulation of ion beam-plasm interaction | Echi ...

    African Journals Online (AJOL)

    Hybrid plasma simulation is a model in which different components of the plasma are treated differently. In this work the ions are treated as particles while the electrons are treated as a neutralizing background fluid through which electric signals may propagate. Deuterium ion beams incident on the tritium plasma interact ...

  13. Does an electronic continuum correction improve effective short-range ion-ion interactions in aqueous solution?

    Science.gov (United States)

    Bruce, Ellen E.; van der Vegt, Nico F. A.

    2018-06-01

    Non-polarizable force fields for hydrated ions not always accurately describe short-range ion-ion interactions, frequently leading to artificial ion clustering in bulk aqueous solutions. This can be avoided by adjusting the nonbonded anion-cation or cation-water Lennard-Jones parameters. This approach has been successfully applied to different systems, but the parameterization is demanding owing to the necessity of separate investigations of each ion pair. Alternatively, polarization effects may effectively be accounted for using the electronic continuum correction (ECC) of Leontyev et al. [J. Chem. Phys. 119, 8024 (2003)], which involves scaling the ionic charges with the inverse square-root of the water high-frequency dielectric permittivity. ECC has proven to perform well for monovalent salts as well as for divalent salts in water. Its performance, however, for multivalent salts with higher valency remains unexplored. The present work illustrates the applicability of the ECC model to trivalent K3PO4 and divalent K2HPO4 in water. We demonstrate that the ECC models, without additional tuning of force field parameters, provide an accurate description of water-mediated interactions between salt ions. This results in predictions of the osmotic coefficients of aqueous K3PO4 and K2HPO4 solutions in good agreement with experimental data. Analysis of ion pairing thermodynamics in terms of contact ion pair (CIP), solvent-separated ion pair, and double solvent-separated ion pair contributions shows that potassium-phosphate CIP formation is stronger with trivalent than with divalent phosphate ions.

  14. Electrostatic ion thrusters - towards predictive modeling

    Energy Technology Data Exchange (ETDEWEB)

    Kalentev, O.; Matyash, K.; Duras, J.; Lueskow, K.F.; Schneider, R. [Ernst-Moritz-Arndt Universitaet Greifswald, D-17489 (Germany); Koch, N. [Technische Hochschule Nuernberg Georg Simon Ohm, Kesslerplatz 12, D-90489 Nuernberg (Germany); Schirra, M. [Thales Electronic Systems GmbH, Soeflinger Strasse 100, D-89077 Ulm (Germany)

    2014-02-15

    The development of electrostatic ion thrusters so far has mainly been based on empirical and qualitative know-how, and on evolutionary iteration steps. This resulted in considerable effort regarding prototype design, construction and testing and therefore in significant development and qualification costs and high time demands. For future developments it is anticipated to implement simulation tools which allow for quantitative prediction of ion thruster performance, long-term behavior and space craft interaction prior to hardware design and construction. Based on integrated numerical models combining self-consistent kinetic plasma models with plasma-wall interaction modules a new quality in the description of electrostatic thrusters can be reached. These open the perspective for predictive modeling in this field. This paper reviews the application of a set of predictive numerical modeling tools on an ion thruster model of the HEMP-T (High Efficiency Multi-stage Plasma Thruster) type patented by Thales Electron Devices GmbH. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. An extended formula for the energy spectrum of sputtered atoms from a material irradiated by light ions

    International Nuclear Information System (INIS)

    Ono, T.; Aoki, Y.; Yamamura, Y.; Kawamura, T.; Kenmotsu, T.

    2004-10-01

    We extend a formula proposed by Kenmotsu et al. (hereafter Paper I), which fits with the energy spectrum of atoms sputtered from a heavy material hit by low-energy light ions (H + , D + , T + , He + ) by taking into account an inelastic energy loss neglected in Paper I. We assume that primary knock-on atoms produced by ions backscattered at large angles do not lose energy while penetrating the material up to the surface, instead of the energy-loss model used in Paper I. The extended formula is expressed in terms of a normalized energy-distribution function and is compared with the data calculated with the ACAT code for 50 eV, 100 eV and 1 keV D + ions impinging on a Fe target. Our formula fits well with the data in a wide range of incident energy. (author)

  16. Simple molecular model for the binding of antibiotic molecules to bacterial ion channels

    Science.gov (United States)

    Mafé, Salvador; Ramírez, Patricio; Alcaraz, Antonio

    2003-10-01

    A molecular model aimed at explaining recent experimental data by Nestorovich et al. [Proc. Natl. Acad. Sci. USA 99, 9789 (2002)] on the interaction of ampicillin molecules with the constriction zone in a channel of the general bacterial porin, OmpF (outer membrane protein F), is presented. The model extends T. L. Hill's theory for intermolecular interactions in a pair of binding sites [J. Am. Chem. Soc. 78, 3330 (1956)] by incorporating two binding ions and two pairs of interacting sites. The results provide new physical insights on the role of the complementary pattern of the charge distributions in the ampicillin molecule and the narrowest part of the channel pore. Charge matching of interacting sites facilitates drug binding. The dependence of the number of ampicillin binding events per second with the solution pH and salt concentration is explained qualitatively using a reduced number of fundamental concepts.

  17. Nonlinear interaction of an ion flux with plasma

    International Nuclear Information System (INIS)

    Ivanov, A.A.; Krasheninnikov, S.I.; Pistunovich, V.I.; Soboleva, T.K.; Yushamanov, P.N.

    The present report discusses the interaction of an ion beam, formed during the charge exchange of injected neutral atoms, with a plasma. Methods of analytical study by means of quasi-linear equations as well as two-dimensional numerical modelling are used. It is shown that at a beam velocity U 0 /C/sub s/ approximately less than 1 / 2 , the relaxation process may be described by using the theory of quasi-linear relaxation of electron beams, at U 0 /C/sub s/ approximately greater than 10; one can neglect the slowing down of the ion beam and consider only the angular spread. An analytical dependence of the spread angle on time was obtained. On the basis of the ion beam relaxation theory evolved, experiments on charge exchange of plasma fluxes on a gas target are analyzed. It is shown that the anomalous scattering of the plasma flux observed in a series of experiments may be explained by the interaction of ions of the flux with ion-acoustic oscillations of the target plasma. Consideration of damping of ion-acoustic noise by the plasma electrons and ions leads to a limitation of the relaxation of the angular distribution function. The relationships obtained are in good agreement with the experimental results

  18. Water flow in carbon-based nanoporous membranes impacted by interactions between hydrated ions and aromatic rings.

    Science.gov (United States)

    Liu, Jian; Shi, Guosheng; Fang, Haiping

    2017-02-24

    Carbon-based nanoporous membranes, such as carbon nanotubes (CNTs), graphene/graphene oxide and graphyne, have shown great potential in water desalination and purification, gas and ion separation, biosensors, and lithium-based batteries, etc. A deep understanding of the interaction between hydrated ions in an aqueous solution and the graphitic surface in systems composed of water, ions and a graphitic surface is essential for applications with carbon-based nanoporous membrane platforms. In this review, we describe the recent progress of the interaction between hydrated ions and aromatic ring structures on the carbon-based surface and its applications in the water flow in a carbon nanotube. We expect that these works can be extended to the understanding of water flow in other nanoporous membranes, such as nanoporous graphene, graphyne and stacked sheets of graphene oxide.

  19. Binding of ferric ions is essential for the biological activity of glycine-extended gastrin

    International Nuclear Information System (INIS)

    Baldwin, G.S.; Pannequin, J.; Hollande, F.; Shulkes, A.

    2002-01-01

    Full text: Non-amidated gastrins, such as glycine-extended gastrin17 (Ggly), are now known to be biologically active. Ggly stimulates cell proliferation and migration, and was recently shown to bind two ferric ions with high affinity. The objective of the present work was to define the structure of Ggly for the first time, and to investigate the role of ferric ions in biological activity. Methods: The structure of Ggly, and the identity of the ammo acids that act as ferric ion ligands, were determined by NMR and fluorescence spectroscopy. The effect on the gastric epithelial cell line IMGE-5 of Ggly fragments, and of Ggy mutants with some or all of the five consecutive glutamate residues replaced by alanine, was measured in terms of cell proliferation, cell migration and phosphorylation of focal adhesion kinase. Results: Ggly adopts a well-defined loop stabilised by hydrophobic interactions between Leu5, Tyrl2, Trp 14 and Phe17. Studies with Ggly fragments indicated that ferric ions bind via the pentaglutamate sequence, which is necessary but not sufficient for full activity Selective replacement of some or all of the glutamates results in a reduction in ferric ion binding, and complete loss of biological activity. Conclusion: Our results are consistent with the hypothesis that ferric ion binding is necessary for biological activity

  20. Top quark rare decays via loop-induced FCNC interactions in extended mirror fermion model

    Science.gov (United States)

    Hung, P. Q.; Lin, Yu-Xiang; Nugroho, Chrisna Setyo; Yuan, Tzu-Chiang

    2018-02-01

    Flavor changing neutral current (FCNC) interactions for a top quark t decays into Xq with X represents a neutral gauge or Higgs boson, and q a up- or charm-quark are highly suppressed in the Standard Model (SM) due to the Glashow-Iliopoulos-Miami mechanism. Whilst current limits on the branching ratios of these processes have been established at the order of 10-4 from the Large Hadron Collider experiments, SM predictions are at least nine orders of magnitude below. In this work, we study some of these FCNC processes in the context of an extended mirror fermion model, originally proposed to implement the electroweak scale seesaw mechanism for non-sterile right-handed neutrinos. We show that one can probe the process t → Zc for a wide range of parameter space with branching ratios varying from 10-6 to 10-8, comparable with various new physics models including the general two Higgs doublet model with or without flavor violations at tree level, minimal supersymmetric standard model with or without R-parity, and extra dimension model.

  1. Ion interactions with solids and plasma

    International Nuclear Information System (INIS)

    Arista, N.R.

    1987-01-01

    The models developed for studying processing of energy losses in dense medium, in particular some recent results for atomic systems confined in solids and in partially degenerated medium are described. Applications of these models to some cases of ion interaction with thin metallic foils and with dense plasmas are described. The processes of excitation and energy losses in the case of a degenerated electron gas, and in the general case of a plasma with arbitrary degenerescency are considered. (M.C.K.) [pt

  2. Light ions and ozone - generation and interactions with living organisms

    International Nuclear Information System (INIS)

    Kriha, V.; Aubrecht, L.

    2005-01-01

    With directly in the living organism born ions exception, LNI coming through three phases: ionisation, attachment by the electronegative molecules and the clusters formation due to local electrostatic interactions. The quantitative analysis of physical parameters leads to conclusion that we cannot find any physical property (till known) explaining the positive affect of LNI on living organisms. Analysis of possible mechanism produces several hypotheses of LNI-organism interaction. A simplified semi-quantitative model of respiratory tract was developed for estimation of ions and ozone interaction with living organisms. A formation of oxygen radicals and products of their chain-reactions in intrinsic conditions is discussed

  3. Double folded Yukawa interaction potential between two heavy ions

    International Nuclear Information System (INIS)

    Bulgac, A.; Carstoiu, F.; Dumitrescu, O.

    1980-02-01

    A simple semi-analytical formula for the heavy ion interaction potential within the double-folding model approximation is obtained. The folded interaction is assumed to be expressed in Yukawa terms or the derivatives of them. The densities used can be both experimental or theoretical (of simple ''step-wise'', ''Fermi-Saxon-Woods'' or complicated ''shell model'' structure) densities. A way of inserting the exchange terms is discussed. Numerical calculations for some colliding partners are reported. (author)

  4. Ion-solid interactions for materials modification and processing

    International Nuclear Information System (INIS)

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

    1996-01-01

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

  5. Modeling the Interaction of Europa with the Jovian Magnetosphere

    Science.gov (United States)

    Rubin, M.; Combi, M. R.; Daldorff, L.; Gombosi, T. I.; Hansen, K. C.; Jia, X.; Kivelson, M. G.; Tenishev, V.

    2011-12-01

    The interaction of Jupiter's corotating magnetosphere with Europa's subsurface water ocean is responsible for the observed induced dipolar magnetic field. Furthermore the pick-up process of newly ionized particles from Europa's neutral atmosphere alters the magnetic and electric field topology around the moon. We use the Block-Adaptive-Tree-Solarwind-Roe-Upwind-Scheme (BATS-R-US) of the Space Weather Modeling Framework (SWMF) to model the interaction of Europa with the Jovian magnetosphere. The BATS-R-US code solves the governing equations of magnetohydrodynamics (MHD) in a fully 3D adaptive mesh. In our approach we solve the equations for one single ion species, starting from the work by Kabin et al. (J. Geophys. Res., 104, A9, 19983-19992, 1999) accounting for the exospheric mass loading, ion-neutral charge exchange, and ion-electron recombination. We continue by separately solving the electron pressure equation and furthermore extend the magnetic induction equation by the resistive and Hall terms. The resistive term accounts for the finite electron diffusivity and thus allows a more adequate description of the effect of magnetic diffusion due to collisions [Ledvina et al., Sp. Sci. Rev., 139:143-189, 2008]. For this purpose we use ion-electron and electron-neutral collision rates presented by Schunk and Nagy (Ionospheres, Cambridge University Press, 2000). The Hall term allows ions and electrons to move at different velocities while the magnetic field remains frozen to the electrons. The assumed charge neutrality of the ion-electron plasma is maintained everywhere at all times. The model is run at different phases of Jupiter's rotation reflecting the different locations of Europa with respect to the center of the plasma sheet and is compared to measurements obtained by the Galileo magnetometer [Kivelson et al., J. Geophys. Res., 104:4609-4626, 1999]. The resulting influence on the induced magnetic dipolar field is studied and compared to the results from the

  6. Thermodynamics of {l_brace}zNaCl+(1-z)Na{sub 2}SO{sub 4}{r_brace}(aq) from T=278.15 K to T=318.15 K, and representation with an extended ion-interaction (Pitzer) model

    Energy Technology Data Exchange (ETDEWEB)

    Rard, Joseph A. E-mail: rard1@llnl.gov; Clegg, Simon L.; Platford, Robert

    2003-06-01

    In 1968, R.F. Platford reported the results from extensive isopiestic vapor-pressure measurements for the {l_brace}zNaCl+(1-z)Na{sub 2}SO{sub 4}{r_brace}(aq) system at T=298.15 K, using NaCl(aq) as the isopiestic reference standard [R.F. Platford, J. Chem. Eng. Data 13 (1968) 46-48]. However, only derived quantities were reported, and the experimental isopiestic equilibrium molalities were not given. The complete set of original isopiestic molalities from that study is tabulated in the present report. In addition, published thermodynamic information for this system is reviewed and the isopiestic equilibrium molalities, electromotive force measurements for five different types of electrochemical cells, and enthalpies of mixing from these other studies are critically assessed and recalculated consistently. These combined results are used to evaluate at T=298.15 K the two mixing parameters of Pitzer's ion-interaction model, {sup S}{theta}(Cl,SO{sub 4})=(1.236{+-}0.032{sub 5}){center_dot}10{sup -2} kg{center_dot}mol{sup -1} and {psi}(Na,Cl,SO{sub 4})=(1.808{+-}0.086){center_dot}10{sup -3} kg{sup 2}{center_dot}mol{sup -2}, and their temperature derivatives {l_brace}{partial_derivative}{sup S}{theta}(Cl,SO{sub 4})/{partial_derivative}T{r_brace}{sub p}=(2.474{+-}0.460){center_dot}10{sup -5} kg{center_dot}mol{sup -1}{center_dot}K{sup -1} and {l_brace}{partial_derivative}{psi}(Na,Cl,SO{sub 4})/{partial_derivative}T{r_brace}{sub p}=-(6.228{+-}0.186){center_dot}10{sup -5} kg{sup 2}{center_dot}mol{sup -2}{center_dot}K{sup -1}. Also reported are parameters for an extended ion-interaction model for Na{sub 2}SO{sub 4}(aq), valid from T=(273.15 to 323.15) K, that were required for this mixed electrolyte solution analysis.

  7. Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System: Modeling Ion Outflow

    Science.gov (United States)

    Schunk, R. W.; Barakat, A. R.; Eccles, V.; Karimabadi, H.; Omelchenko, Y.; Khazanov, G. V.; Glocer, A.; Kistler, L. M.

    2014-12-01

    A Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System is being developed in order to provide a rigorous approach to modeling the interaction of hot and cold particle interactions. The framework will include ion and electron kinetic species in the ionosphere, plasmasphere and polar wind, and kinetic ion, super-thermal electron and fluid electron species in the magnetosphere. The framework is ideally suited to modeling ion outflow from the ionosphere and plasmasphere, where a wide range for fluid and kinetic processes are important. These include escaping ion interactions with (1) photoelectrons, (2) cusp/auroral waves, double layers, and field-aligned currents, (3) double layers in the polar cap due to the interaction of cold ionospheric and hot magnetospheric electrons, (4) counter-streaming ions, and (5) electromagnetic wave turbulence. The kinetic ion interactions are particularly strong during geomagnetic storms and substorms. The presentation will provide a brief description of the models involved and discuss the effect that kinetic processes have on the ion outflow.

  8. The Langmuir isotherm and the standard model of ion-assisted etching

    International Nuclear Information System (INIS)

    Lieberman, M A

    2009-01-01

    Langmuir is lured to the General Electric Research Laboratory, where he creates a new science-surface chemistry-and christens another-plasma. His atomistic views of gas-surface interactions are extended 65 years later to describe ion-assisted plasma etching, an indispensable process in modern semiconductor device manufacturing.

  9. Ultra-relativistic ion acceleration in the laser-plasma interactions

    Energy Technology Data Exchange (ETDEWEB)

    Huang Yongsheng; Wang Naiyan; Tang Xiuzhang; Shi Yijin [China Institute of Atomic Energy, Beijing 102413 (China); Xueqing Yan [Institute of Heavy Ion Physics, Peking University, Beijing 100871 (China)

    2012-09-15

    An analytical relativistic model is proposed to describe the relativistic ion acceleration in the interaction of ultra-intense laser pulses with thin-foil plasmas. It is found that there is a critical value of the ion momentum to make sure that the ions are trapped by the light sail and accelerated in the radiation pressure acceleration (RPA) region. If the initial ion momentum is smaller than the critical value, that is in the classical case of RPA, the potential has a deep well and traps the ions to be accelerated, as the same described before by simulation results [Eliasson et al., New J. Phys. 11, 073006 (2009)]. There is a new ion acceleration region different from RPA, called ultra-relativistic acceleration, if the ion momentum exceeds the critical value. In this case, ions will experience a potential downhill. The dependence of the ion momentum and the self-similar variable at the ion front on the acceleration time has been obtained. In the ultra-relativistic limit, the ion momentum at the ion front is proportional to t{sup 4/5}, where t is the acceleration time. In our analytical hydrodynamical model, it is naturally predicted that the ion distribution from RPA is not monoenergetic, although the phase-stable acceleration mechanism is effective. The critical conditions of the laser and plasma parameters which identify the two acceleration modes have been achieved.

  10. Ultra-relativistic ion acceleration in the laser-plasma interactions

    International Nuclear Information System (INIS)

    Huang Yongsheng; Wang Naiyan; Tang Xiuzhang; Shi Yijin; Xueqing Yan

    2012-01-01

    An analytical relativistic model is proposed to describe the relativistic ion acceleration in the interaction of ultra-intense laser pulses with thin-foil plasmas. It is found that there is a critical value of the ion momentum to make sure that the ions are trapped by the light sail and accelerated in the radiation pressure acceleration (RPA) region. If the initial ion momentum is smaller than the critical value, that is in the classical case of RPA, the potential has a deep well and traps the ions to be accelerated, as the same described before by simulation results [Eliasson et al., New J. Phys. 11, 073006 (2009)]. There is a new ion acceleration region different from RPA, called ultra-relativistic acceleration, if the ion momentum exceeds the critical value. In this case, ions will experience a potential downhill. The dependence of the ion momentum and the self-similar variable at the ion front on the acceleration time has been obtained. In the ultra-relativistic limit, the ion momentum at the ion front is proportional to t 4/5 , where t is the acceleration time. In our analytical hydrodynamical model, it is naturally predicted that the ion distribution from RPA is not monoenergetic, although the phase-stable acceleration mechanism is effective. The critical conditions of the laser and plasma parameters which identify the two acceleration modes have been achieved.

  11. ENERGETIC PHOTON AND ELECTRON INTERACTIONS WITH POSITIVE IONS

    Energy Technology Data Exchange (ETDEWEB)

    Phaneuf, Ronald A. [UNR

    2013-07-01

    The objective of this research is a deeper understanding of the complex multi-electron interactions that govern inelastic processes involving positive ions in plasma environments, such as those occurring in stellar cares and atmospheres, x-ray lasers, thermonuclear fusion reactors and materials-processing discharges. In addition to precision data on ionic structure and transition probabilities, high resolution quantitative measurements of ionization test the theoretical methods that provide critical input to computer codes used for plasma modeling and photon opacity calculations. Steadily increasing computational power and a corresponding emphasis on simulations gives heightened relevance to precise and accurate benchmark data. Photons provide a highly selective probe of the internal electronic structure of atomic and molecular systems, and a powerful means to better understand more complex electron-ion interactions.

  12. Damage growth in Si during self-ion irradiation: A study of ion effects over an extended energy range

    International Nuclear Information System (INIS)

    Holland, O.W.; El-Ghor, M.K.; White, C.W.

    1989-01-01

    Damage nucleation/growth in single-crystal Si during ion irradiation is discussed. For MeV ions, the rate of growth as well as the damage morphology are shown to vary widely along the track of the ion. This is attributed to a change in the dominant, defect-related reactions as the ion penetrates the crystal. The nature of these reactions were elucidated by studying the interaction of MeV ions with different types of defects. The defects were introduced into the Si crystal prior to high-energy irradiation by self-ion implantation at a medium energy (100 keV). Varied damage morphologies were produced by implanting different ion fluences. Electron microscopy and ion-channeling measurements, in conjunction with annealing studies, were used to characterize the damage. Subtle changes in the predamage morphology are shown to result in markedly different responses to the high-energy irradiation, ranging from complete annealing of the damage to rapid growth. These divergent responses occur over a narrow range of dose (2--3 times 10 14 cm -2 ) of the medium-energy ions; this range also marks a transition in the growth behavior of the damage during the predamage implantation. A model is proposed which accounts for these observations and provides insight into ion-induced growth of amorphous layers in Si and the role of the amorphous/crystalline interface in this process. 15 refs, 9 figs

  13. Isolate extended state in the DNA molecular transistor with surface interaction

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Le, E-mail: wang_le917@gs.zzu.edu.cn; Qin, Zhi-Jie

    2016-02-01

    The field effect characteristic of a DNA molecular device is investigated in a tight binding model with binary disorder and side site correlation. Using the transfer-matrix method and Landauer–Büttiker theory, we find that the system has isolated extended state that is irrespective of the DNA sequence and can be modulated by the gate voltage. When the gate voltage reaches some proper value, the isolated extended state appears at the Fermi level of the system and the long range charge transport is greatly enhanced. We attribute this phenomenon to the combination of the external field, the surface interaction, and the intrinsic disorder of DNA. The result is a generic feature of the nanowire with binary disorder and surface interaction.

  14. An intranuclear cascade calculation of high-energy heavy-ion interactions

    International Nuclear Information System (INIS)

    Yariv, Y.; Fraenkel, Z.

    1979-01-01

    The intranuclear cascade model of Chen is extended to high-energy reactions between two heavy ions. The results of the calculations are compared with experimental results for the inclusive proton and pion cross sections, two-particle correlations, particle multiplicity distributions and spallation cross section distributions from light ( 12 C+ 12 C) to heavy( 40 Ar + 238 U) projectile-target systems in the laboratory bombarding energy range E/A=250-1000 MeV. The comparison shows that the model is fairly successful in reproducing the various aspects of high-energy reactions between heavy ions. It is also shown that the assumption that high particle multiplicities are indicative of ''central'' (small impact parameter) collisions are well founded for heavy projectile-target systems. (B.G.)

  15. Dynamical quantum phase transitions in extended transverse Ising models

    Science.gov (United States)

    Bhattacharjee, Sourav; Dutta, Amit

    2018-04-01

    We study the dynamical quantum phase transitions (DQPTs) manifested in the subsequent unitary dynamics of an extended Ising model with an additional three spin interactions following a sudden quench. Revisiting the equilibrium phase diagram of the model, where different quantum phases are characterized by different winding numbers, we show that in some situations the winding number may not change across a gap closing point in the energy spectrum. Although, usually there exists a one-to-one correspondence between the change in winding number and the number of critical time scales associated with DQPTs, we show that the extended nature of interactions may lead to unusual situations. Importantly, we show that in the limit of the cluster Ising model, three critical modes associated with DQPTs become degenerate, thereby leading to a single critical time scale for a given sector of Fisher zeros.

  16. Extended UNIQUAC model for correlation and prediction of vapour-liquid-solid equilibria in aqueous salt systems containing non-electrolytes

    DEFF Research Database (Denmark)

    Iliuta, Maria C.; Thomsen, Kaj; Rasmussen, Peter

    2000-01-01

    to aqueous salt systems containing non-electrolytes in order to demonstrate its ability in representing solid-liquid-vapour (SLV) equilibrium and thermal property data for these strongly non-ideal systems. The model requires only pure component and binary temperature-dependent interaction parameters....... The calculations are based on an extensive database consisting of salt solubility data in pure and mixed solvents, VLE data for solvent mixtures and mixed solvent-electrolyte systems and thermal properties for mixed solvent solutions. Application of the model to the methanol-water system in the presence of several...... ions (Na+, K+, NH4+, Cl-, NO3-, SO42-, CO2- and HCO3-) shows that the Extended UNIQUAC model is able to give an accurate description of VLE and SLE in ternary add quaternary mixtures, using the name set of binary interaction parameters. The capability of the model to predict accurately the phase...

  17. Basic atomic interactions of accelerated heavy ions in matter atomic interactions of heavy ions

    CERN Document Server

    Tolstikhina, Inga; Winckler, Nicolas; Shevelko, Viacheslav

    2018-01-01

    This book provides an overview of the recent experimental and theoretical results on interactions of heavy ions with gaseous, solid and plasma targets from the perspective of atomic physics. The topics discussed comprise stopping power, multiple-electron loss and capture processes, equilibrium and non-equilibrium charge-state fractions in penetration of fast ion beams through matter including relativistic domain. It also addresses mean charge-states and equilibrium target thickness in ion-beam penetrations, isotope effects in low-energy electron capture, lifetimes of heavy ion beams, semi-empirical formulae for effective cross sections. The book is intended for researchers and graduate students working in atomic, plasma and accelerator physics.

  18. Reactive Geochemical Transport Modeling of Concentrated AqueousSolutions: Supplement to TOUGHREACT User's Guide for the PitzerIon-Interaction Model

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Guoxiang; Spycher, Nicolas; Xu, Tianfu; Sonnenthal, Eric; Steefel , Carl

    2006-12-15

    In this report, we present: -- The Pitzer ion-interactiontheory and models -- Input file requirements for using the TOUGHREACTPitzer ion-interaction model and associated databases -- Run-time errormessages -- Verification test cases and application examples. For themain code structure, features, overall solution methods, description ofinput/output files for parameters other than those specific to theimplemented Pitzer model, and error messages, see the TOUGHREACT User'sGuide (Xu et al., 2005). The TOUGHREACT Pitzer version runs on aDEC-alpha architecture CPU, under OSF1 V5.1, with Compaq Digital FortranCompiler. The compiler run-time libraries are required for execution aswell as compilation. The code also runs on Intel Pentium IV andhigher-version CPU-based machines with Compaq Visual Fortran Compiler orIntel Fortran Compiler (integrated with the Microsoft DevelopmentEnvironment). The minimum hardware configuration should include 1 GB RAMand 1 GB (2 GB recommended) of available disk space.

  19. Pellet Cladding Mechanical Interaction Modeling Using the Extended Finite Element Method

    Energy Technology Data Exchange (ETDEWEB)

    Spencer, Benjamin W.; Jiang, Wen; Dolbow, John E.; Peco, Christian

    2016-09-01

    As a brittle material, the ceramic UO2 used as light water reactor fuel experiences significant fracturing throughout its life, beginning with the first rise to power of fresh fuel. This has multiple effects on the thermal and mechanical response of the fuel/cladding system. One such effect that is particularly important is that when there is mechanical contact between the fuel and cladding, cracks that extending from the outer surface of the fuel into the volume of the fuel cause elevated stresses in the adjacent cladding, which can potentially lead to cladding failure. Modeling the thermal and mechanical response of the cladding in the vicinity of these surface-breaking cracks in the fuel can provide important insights into this behavior to help avoid operating conditions that could lead to cladding failure. Such modeling has traditionally been done in the context of finite-element-based fuel performance analysis by modifying the fuel mesh to introduce discrete cracks. While this approach is effective in capturing the important behavior at the fuel/cladding interface, there are multiple drawbacks to explicitly incorporating the cracks in the finite element mesh. Because the cracks are incorporated in the original mesh, the mesh must be modified for cracks of specified location and depth, so it is difficult to account for crack propagation and the formation of new cracks at other locations. The extended finite element method (XFEM) has emerged in recent years as a powerful method to represent arbitrary, evolving, discrete discontinuities within the context of the finite element method. Development work is underway by the authors to implement XFEM in the BISON fuel performance code, and this capability has previously been demonstrated in simulations of fracture propagation in ceramic nuclear fuel. These preliminary demonstrations have included only the fuel, and excluded the cladding for simplicity. This paper presents initial results of efforts to apply XFEM to

  20. The TL fluence response to heavy charged particles using the track interaction model and track structure information

    International Nuclear Information System (INIS)

    Rodriguez-Villafuerte, M.; Avila, O.

    2002-01-01

    The extended track interaction model, ETIM, has recently been proposed to explain the TLD-100 fluence response of peak 5 to heavy ions. This model includes the track structure information through the use of the luminescent-centre occupation probability obtained from radial dose distributions produced by the ions as they travel through the dosemeter. In this work an implementation of ETIM using Monte Carlo techniques is presented. The simulation was applied to calculate the response of peak 5 of both sensitised and normal TLD-100 crystals to 2.6 and 6.8 MeV 4 He ions. The simulation shows that the TL-fluence response has a strong dependence on ion energy, in disagreement with experimental observations. In spite of this, good agreement between the simulated TL-fluence response calculated for the 6.8 MeV 4 He radial distributions and the experimental data for the two energies was achieved. (author)

  1. Dynamical theory of hadron interactions based upon extended particle picture, 2

    International Nuclear Information System (INIS)

    Hara, Osamu

    1977-01-01

    The interaction of hadron is discussed on the basis of an extended particle model. We assume that the interaction between hadrons is due to the coupling between currents carried by excitons excited in the particles, which is mediated by some intermediate field. This picture enables us to write down all hadron interactions once this original interaction between excitons is given -- thus leading to a more unified and a dynamical understanding of the hadron interactions. As examples π-π, anti K-N and π-N interactions are discussed. As far as the comparison is possible, the resulting meson-meson interactions and the meson-baryon interactions are in agreement with those obtained by SU 6 or its relativistic generalization. But a great advantage of our model is that it gives furthermore new relations between these meson-meson interactions and meson-baryon interactions because of its unified structure. For example, we find that in our model the coupling constant for the rho ππ interaction g sub(rhoππ) is related to the (pseudo-scalar) π-N coupling constant g by g sub(rhoππ)sup(2)/4π = (6/5) 2 (m sub(rho) m sub(π)/M 2 )(G 2 /4π), where m sub(rho), m sub(π) and M denote respectively the mass for rho, π and the nucleon. This relation is satisfied very well experimentally. (auth.)

  2. Extended numerical modeling of impurity neoclassical transport in tokamak edge plasmas

    International Nuclear Information System (INIS)

    Inoue, H.; Yamoto, S.; Hatayama, A.; Homma, Y.

    2016-01-01

    Understanding of impurity transport in tokamaks is an important issue in order to reduce the impurity contamination in fusion core plasmas. Recently, a new kinetic numerical scheme of impurity classical/neoclassical transport has been developed. This numerical scheme makes it possible to include classical self-diffusion (CL SD), classical inward pinch (CL IWP), and classical temperature screening effect (CL TSE) of impurity ions. However, impurity neoclassical transport has been modeled only in the case where background plasmas are in the Pfirsch-Schluter (PS) regime. The purpose of this study is to extend our previous model to wider range of collisionality regimes, i.e., not only the PS regime, but also the plateau regime. As in the previous study, a kinetic model with Binary Collision Monte-Carlo Model (BMC) has been adopted. We focus on the modeling of the neoclassical self-diffusion (NC SD) and the neoclassical inward pinch (NC IWP). In order to simulate the neoclassical transport with the BCM, velocity distribution of background plasma ions has been modeled as a deformed Maxwell distribution which includes plasma density gradient. Some test simulations have been done. As for NC SD of impurity ions, our scheme reproduces the dependence on the collisionality parameter in wide range of collisionality regime. As for NC IWP, in cases where test impurity ions and background ions are in the PS and plateau regimes, parameter dependences have been reproduced. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Extended numerical modeling of impurity neoclassical transport in tokamak edge plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, H.; Yamoto, S.; Hatayama, A. [Graduate School of Science and Technology, Keio University, Hiyoshi, Yokohama (Japan); Homma, Y. [Graduate School of Science and Technology, Keio University, Hiyoshi, Yokohama (Japan); Research Fellow of Japan Society for the Promotion of Science, Tokyo (Japan)

    2016-08-15

    Understanding of impurity transport in tokamaks is an important issue in order to reduce the impurity contamination in fusion core plasmas. Recently, a new kinetic numerical scheme of impurity classical/neoclassical transport has been developed. This numerical scheme makes it possible to include classical self-diffusion (CL SD), classical inward pinch (CL IWP), and classical temperature screening effect (CL TSE) of impurity ions. However, impurity neoclassical transport has been modeled only in the case where background plasmas are in the Pfirsch-Schluter (PS) regime. The purpose of this study is to extend our previous model to wider range of collisionality regimes, i.e., not only the PS regime, but also the plateau regime. As in the previous study, a kinetic model with Binary Collision Monte-Carlo Model (BMC) has been adopted. We focus on the modeling of the neoclassical self-diffusion (NC SD) and the neoclassical inward pinch (NC IWP). In order to simulate the neoclassical transport with the BCM, velocity distribution of background plasma ions has been modeled as a deformed Maxwell distribution which includes plasma density gradient. Some test simulations have been done. As for NC SD of impurity ions, our scheme reproduces the dependence on the collisionality parameter in wide range of collisionality regime. As for NC IWP, in cases where test impurity ions and background ions are in the PS and plateau regimes, parameter dependences have been reproduced. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Precision Tests of the Electroweak Interaction using Trapped Atoms and Ions

    Energy Technology Data Exchange (ETDEWEB)

    Melconian, Daniel George [Texas A & M Univ., College Station, TX (United States)

    2017-06-21

    The objective of the proposed research is to study fundamental aspects of the electroweak interaction via precision measurements in beta decay to test our current understanding of fundamental particles and forces as contained in the so-called "Standard Model" of particle physics. By comparing elegant experiments to rigorous theoretical predictions, we will either confirm the Standard Model to a higher degree and rule out models which seek to extend it, or find evidence of new physics and help guide theorists in developing the New Standard Model. The use of ion and neutral atom traps at radioactive ion beam facilities has opened up a new vista in precision low-energy nuclear physics experiments. Traps provide an ideal source of decaying atoms: they can be extremely cold (~1 mK); they are compact (~1 mm^3); and perhaps most importantly, the daughter particles escape with negligible distortions to their momenta in a scattering-free, open environment. The project is taking advantage of these technologies and applying them to precision beta-decay studies at radioactive beam facilities. The program consists of two complementary efforts: 1) Ion traps are an extremely versatile tool for purifying, cooling and bunching low-energy beams of short-lived nuclei. A large-bore (210~mm) superconducting 7-Tesla solenoid is at the heart of a Penning trap system for which there is a dedicated beamline at T-REX, the upgraded radioactive beam facility at the Cyclotron Institute, Texas A&M University. In addition to providing a general-purpose decay station, the flagship program for this system is measuring the ft-values and beta-neutrino correlation parameters from isospin T=2 superallowed beta-delayed proton decays, complimenting and expanding the already strong program in fundamental interactions at the Institute. 2) A magneto-optical trap is being used at the TRIUMF Neutral Atom Trap facility to observe the (un)polarized angular distribution parameters of isotopes of potassium. We

  5. Construction of ion accelerator for ion-surface interaction research

    International Nuclear Information System (INIS)

    Obara, Kenziro; Ohtsuka, Hidewo; Yamada, Rayji; Abe, Tetsuya; Sone, Kazuho

    1977-09-01

    A Cockcroft-Walton type ion accelerator for ion-surface interaction research was installed at Plasma Engineering Laboratory, Division of Thermonuclear Fusion Research, JAERI, in March 1977. Its maximum accelerating voltage is 400 kV. The accelerator has some outstanding features compared with the conventional type. Described are setup of the accelerator specification of the major components, safety system and performance. (auth.)

  6. Spin effects in intermediate-energy heavy-ion collisions

    International Nuclear Information System (INIS)

    Xu Jun; Li Baoan; Xia Yin; Shen Wenqing

    2014-01-01

    In this paper, we report and extend our recent work where the nucleon spin-orbit interaction and its spin degree of freedom were introduced explicitly for the first time in the isospin-dependent Boltzmann-Uehling-Uhlenbeck transport model for heavy-ion reactions. Despite of the significant cancellation of the time-even and time-odd spin-related mean-field potentials from the spin-orbit interaction,an appreciable local spin polarization is observed in heavy-ion collisions at intermediate energies because of the dominating role of the time-odd terms. It is also found that the spin up-down differential transverse flow in heavy-ion collisions is a useful probe of the strength, density dependence, and isospin dependence of the in-medium spin-orbit interaction, and its magnitude is still considerable even at smaller systems. (authors)

  7. Wave–particle interactions in a resonant system of photons and ion-solvated water

    Energy Technology Data Exchange (ETDEWEB)

    Konishi, Eiji, E-mail: konishi.eiji.27c@st.kyoto-u.ac.jp

    2017-02-26

    Highlights: • We consider a QED model of rotating water molecules with ion solvation effects. • The equations of motion are cast in terms of a conventional free electron laser. • We offer a new quantum coherence mechanism induced by collective instability. - Abstract: We investigate a laser model for a resonant system of photons and ion cluster-solvated rotating water molecules in which ions in the cluster are identical and have very low, non-relativistic velocities and direction of motion parallel to a static electric field induced in a single direction. This model combines Dicke superradiation with wave–particle interaction. As the result, we find that the equations of motion of the system are expressed in terms of a conventional free electron laser system. This result leads to a mechanism for dynamical coherence, induced by collective instability in the wave–particle interaction.

  8. Four faces of the interaction between ions and aromatic rings.

    Science.gov (United States)

    Papp, Dóra; Rovó, Petra; Jákli, Imre; Császár, Attila G; Perczel, András

    2017-07-15

    Non-covalent interactions between ions and aromatic rings play an important role in the stabilization of macromolecular complexes; of particular interest are peptides and proteins containing aromatic side chains (Phe, Trp, and Tyr) interacting with negatively (Asp and Glu) and positively (Arg and Lys) charged amino acid residues. The structures of the ion-aromatic-ring complexes are the result of an interaction between the large quadrupole moment of the ring and the charge of the ion. Four attractive interaction types are proposed to be distinguished based on the position of the ion with respect to the plane of the ring: perpendicular cation-π (CP ⊥ ), co-planar cation-π (CP ∥ ), perpendicular anion-π (AP ⊥ ), and co-planar anion-π (AP ∥ ). To understand more than the basic features of these four interaction types, a systematic, high-level quantum chemical study is performed, using the X -  + C 6 H 6 , M +  + C 6 H 6 , X -  + C 6 F 6 , and M +  + C 6 F 6 model systems with X -  = H - , F - , Cl - , HCOO - , CH 3 COO - and M +  = H + , Li + , Na + , NH4+, CH 3 NH3+, whereby C 6 H 6 and C 6 F 6 represent an electron-rich and an electron-deficient π system, respectively. Benchmark-quality interaction energies with small uncertainties, obtained via the so-called focal-point analysis (FPA) technique, are reported for the four interaction types. The computations reveal that the interactions lead to significant stabilization, and that the interaction energy order, given in kcal mol -1 in parentheses, is CP ⊥ (23-37) > AP ⊥ (14-21) > CP ∥ (9-22) > AP ∥ (6-16). A natural bond orbital analysis performed leads to a deeper qualitative understanding of the four interaction types. To facilitate the future quantum chemical characterization of ion-aromatic-ring interactions in large biomolecules, the performance of three density functional theory methods, B3LYP, BHandHLYP, and M06-2X, is tested against the FPA benchmarks

  9. Charge-changing transitions in an extended Lipkin-type model

    International Nuclear Information System (INIS)

    Mihut, I.; Stoica, S.; Suhonen, J.

    1997-01-01

    Charge-changing transition are considered in an extended Lipkin-Meshkov-Glick (LMG) model taking into account explicitly the proton and neutron degrees of freedom. The proton and neutron Hamiltonians are taken to be of the LMG form and in addition, a residual proton-neutron interaction is included. Model charge-changing operators and their action on eigenfunctions of the model Hamiltonian are defined. Transition amplitudes of these operators are calculated using exact eigenfunctions and then the RPA approximation. The best agreement between the two kinds of calculations was obtained when the correlated RPA ground state, instead of the uncorrelated HF ground state, is employed and when the proton-neutron residual interaction besides the proton-proton and neutron-neutron residual interactions is taken into account in the model Hamiltonian

  10. Predictive Models of Li-ion Battery Lifetime (Presentation)

    Energy Technology Data Exchange (ETDEWEB)

    Smith, K.; Wood, E.; Santhanagopalan, S.; Kim, G.; Shi, Y.; Pesaran, A.

    2014-09-01

    Predictive models of Li-ion battery reliability must consider a multiplicity of electrochemical, thermal and mechanical degradation modes experienced by batteries in application environments. Complicating matters, Li-ion batteries can experience several path dependent degradation trajectories dependent on storage and cycling history of the application environment. Rates of degradation are controlled by factors such as temperature history, electrochemical operating window, and charge/discharge rate. Lacking accurate models and tests, lifetime uncertainty must be absorbed by overdesign and warranty costs. Degradation models are needed that predict lifetime more accurately and with less test data. Models should also provide engineering feedback for next generation battery designs. This presentation reviews both multi-dimensional physical models and simpler, lumped surrogate models of battery electrochemical and mechanical degradation. Models are compared with cell- and pack-level aging data from commercial Li-ion chemistries. The analysis elucidates the relative importance of electrochemical and mechanical stress-induced degradation mechanisms in real-world operating environments. Opportunities for extending the lifetime of commercial battery systems are explored.

  11. Ion beam-plasma interactions. Final report, September 1, 1983-August 31, 1984

    International Nuclear Information System (INIS)

    DeGroot, J.S.

    1985-01-01

    The purpose of this study was to design experiments that model the fast ion plasma interaction region in a heavy ion driven inertial confinement fusion (HIF) pellet. The effort consisted of (1) construction and testing of the experimental device and (2) preliminary experiments. The results of this work are reported

  12. Axelrod Model with Extended Conservativeness

    Science.gov (United States)

    Dybiec, Bartłomiej

    2012-11-01

    Similarity of opinions and memory about recent interactions are two main factors determining likelihood of social contacts. Here, we explore the Axelrod model with an extended conservativeness which incorporates not only similarity between individuals but also a preference to the last source of accepted information. The additional preference given to the last source of information increases the initial decay of the number of ideas in the system, changes the character of the phase transition between homogeneous and heterogeneous final states and could increase the number of stable regions (clusters) in the final state.

  13. Fundamentals of ion-solid interaction. A compact introduction

    International Nuclear Information System (INIS)

    Moeller, Wolfhard

    2017-01-01

    Since Rutherford's famous paper which first described the scattering of α-particles in matter, the field of ion-solid interaction has matured by now during one entire century. First theoretical concepts addressing particle penetration of solids were given by Thomson and Bohr. Quantum theory entered the field in treatments of ion stopping by Born and Bethe. Still on classical grounds, transport theory was first introduced in a paper on multiple scattering by Bothe. The discovery of nuclear fission launched theoretical studies by Bohr on the scattering and stopping of fission products. A further milestone in the understanding of particle penetration phenomena is the 1948 paper by Bohr. On this basis, the theoretical understanding was enhanced in the early 1960's in particular by a series of papers by Lindhard. Simultaneously, an increasing amount of experimental studies on ion stopping and scattering were launched in connection with the development of ion acceleration devices and corresponding equipment for particle detection. During this period, also first computer simulation studies came up which later proved to be an utmost efficient tool for the description of collisional phenomena in ion-solid interaction. The relevance for numerous applications became evident, such as for the compositional and structural analysis of thin films and near-surface layers, for semiconductor technology, and nuclear fission and fusion technology. This caused increasing interest not only in the penetration and the scattering of the impinging ions, but also in the modification of the irradiated material due to ion implantation, radiation damage and surface erosion by sputtering. Consequently, ion-solid interaction established around 1970 internationally as a quickly expanding field at the intersection of solid-state physics and nuclear physics. Numerous reviews and textbooks are available which cover the fundamentals of ion-solid interaction. Torrens reviewed the knowledge about

  14. Fundamentals of ion-solid interaction. A compact introduction

    Energy Technology Data Exchange (ETDEWEB)

    Moeller, Wolfhard [Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany). Inst. of Ion Beam Physics and Materials Research

    2017-09-01

    Since Rutherford's famous paper which first described the scattering of α-particles in matter, the field of ion-solid interaction has matured by now during one entire century. First theoretical concepts addressing particle penetration of solids were given by Thomson and Bohr. Quantum theory entered the field in treatments of ion stopping by Born and Bethe. Still on classical grounds, transport theory was first introduced in a paper on multiple scattering by Bothe. The discovery of nuclear fission launched theoretical studies by Bohr on the scattering and stopping of fission products. A further milestone in the understanding of particle penetration phenomena is the 1948 paper by Bohr. On this basis, the theoretical understanding was enhanced in the early 1960's in particular by a series of papers by Lindhard. Simultaneously, an increasing amount of experimental studies on ion stopping and scattering were launched in connection with the development of ion acceleration devices and corresponding equipment for particle detection. During this period, also first computer simulation studies came up which later proved to be an utmost efficient tool for the description of collisional phenomena in ion-solid interaction. The relevance for numerous applications became evident, such as for the compositional and structural analysis of thin films and near-surface layers, for semiconductor technology, and nuclear fission and fusion technology. This caused increasing interest not only in the penetration and the scattering of the impinging ions, but also in the modification of the irradiated material due to ion implantation, radiation damage and surface erosion by sputtering. Consequently, ion-solid interaction established around 1970 internationally as a quickly expanding field at the intersection of solid-state physics and nuclear physics. Numerous reviews and textbooks are available which cover the fundamentals of ion-solid interaction. Torrens reviewed the knowledge

  15. Pressure ionization of dense plasmas in spherical ion-cell model with spin-orbit interactions

    International Nuclear Information System (INIS)

    Ishikawa, K.; Blenski, T.; Takahashi, H.; Iguchi, T.; Nakazawa, M.

    1996-01-01

    We study the continuity of pressure of dense plasmas in pressure ionization in case where spin-orbit interactions are taken into account in calculations. Pressure is calculated using a stress-tensor pressure formula in the relativistically-corrected self-consistent field spherical ion-cell model (average-atom model). It appears that calculated pressure and electronic density distribution change continuously in pressure ionization if we take narrow shape resonances into account properly. This observation stresses the need of a coherent description of bound and free electrons. We also compare the results by the stress-tensor pressure formula with those by other pressure formulas. It appears that different pressure formulas give rather discrepant results in some cases. copyright 1996 American Institute of Physics

  16. Extended Bose Hubbard model of interacting bosonic atoms in optical lattices: From superfluidity to density waves

    International Nuclear Information System (INIS)

    Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.

    2006-01-01

    For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters

  17. Extended UNIQUAC model for thermodynamic modeling of CO2 absorption in aqueous alkanolamine solutions

    DEFF Research Database (Denmark)

    Faramarzi, Leila; Kontogeorgis, Georgios; Thomsen, Kaj

    2009-01-01

    The extended UNIQUAC model [K. Thomsen, R Rasmussen, Chem. Eng. Sci. 54 (1999) 1787-1802] was applied to the thermodynamic representation of carbon dioxide absorption in aqueous monoethanolamine (MEA), methyldiethanolamine (MDEA) and varied strength mixtures of the two alkanolamines (MEA-MDEA). F......The extended UNIQUAC model [K. Thomsen, R Rasmussen, Chem. Eng. Sci. 54 (1999) 1787-1802] was applied to the thermodynamic representation of carbon dioxide absorption in aqueous monoethanolamine (MEA), methyldiethanolamine (MDEA) and varied strength mixtures of the two alkanolamines (MEA......) are included in the parameter estimation process. The previously unavailable standard state properties of the alkanolamine ions appearing in this work, i.e. MEA protonate, MEA carbamate and MDEA protonate are determined. The concentration of the species in both MEA and MDEA solutions containing CO2...

  18. RKKY interaction between Ce ions in CexLa1-xB6

    International Nuclear Information System (INIS)

    Schlottmann, P.

    2000-01-01

    Ce ions in (Ce x La 1-x )B 6 have a Γ 8 ground multiplet, which is fourfold degenerate and has orbital and spin content. The interaction between Ce ions is of the Ruderman-Kittel-Kasuya-Yosida (RKKY) type, which competes with the Kondo screening. The conduction states of the compound are described by three approximately ellipsoidal pockets centered at the X points of the cubic lattice. The RKKY interaction is calculated considering the interference of the three pockets. The interaction strength strongly depends on the relative position of the ions, as well as on the relative orientation of the line joining two ions to the cubic crystalline field axis. The sixteen states of a pair of Ce ions are split by the RKKY interaction into a singlet, a triplet, and a twelvefold degenerate level. The ground state is always either a singlet or a triplet, depending on the sign of the interaction. Using the exact Bethe ansatz solution of a model for a pair of interacting impurities with Γ 8 ground multiplet, we calculate the occupation of the levels, the magnetic-field susceptibility, the specific-heat γ coefficient, and the Wilson ratio for the ground state as a function of the ratio of the RKKY coupling strength to the Kondo temperature along the main crystallographic directions. As a consequence of the RKKY splitting a pair of impurities always has a quadrupolar moment. The implication of the interactions on the quadrupolar order of CeB 6 is also discussed

  19. Integrated modeling for the cyclic behavior of high power Li-ion batteries under extended operating conditions

    International Nuclear Information System (INIS)

    Miranda, Á.G.; Hong, C.W.

    2013-01-01

    Highlights: • Redefine the traditional concepts of state of charge modeling. • Accurate non-intrusive extraction method of an integrated battery model. • Indexes of performance can be employed to compare different types of batteries. • High power electrical battery model dependent on current and temperature effects. - Abstract: The dynamic thermal and electrical behavior of high power LiFePO 4 cathode-type Li-ion batteries is studied with extended considerations such as demanded current ranging from 12 to 30 A, battery temperatures ranging from 283 to 313 K and a redefinition of the concept of state of charge during cycling conditions. The equivalent electrical model, consisting of a series resistance, a parallel resistance–capacitor, a voltage source and state of charge calculators, can be improved with the addition of current and temperature gains for each element. In addition, a non-intrusively-obtained alternative thermal model extraction is proposed to uncouple from the experimental battery temperature based on electrochemical research found in the literature. This improved model extraction for high power cylindrical batteries can achieve a temperature and voltage relative runtime error in the range of 1% and 5% in average, respectively. The effects of lithium concentration in the anode and cathode are accurately predicted with state of charge accelerators, which vary linearly with temperature. Aiming for a power systems environment, the integrated battery model is built and validated experimentally to demonstrate its accurate prediction. This improved integrated battery model can be employed for battery stack simulations, improved state of charge algorithm testing and optimization of hybrid systems - with a light computational demand. Finally, a performance index radar plot is proposed to conveniently compare electrical and thermal properties of different types of batteries

  20. A model of spin crossover in manganese(III) compounds: effects of intra- and intercenter interactions.

    Science.gov (United States)

    Klokishner, Sophia I; Roman, Marianna A; Reu, Oleg S

    2011-11-21

    A microscopic approach to the problem of cooperative spin crossover in the [MnL2]NO3 crystal, which contains Mn(III) ions as structural units, is elaborated on, and the main mechanisms governing this effect are revealed. The proposed model also takes into account the splitting of the low-spin 3T1 (t(2)(4)) and high-spin 5E (t(2)(3)e) terms by the low-symmetry crystal field. The low-spin → high-spin transition has been considered as a cooperative phenomenon driven by interaction of the electronic shells of the Mn(III) ions with the all-around full-symmetric deformation that is extended over the crystal lattice via the acoustic phonon field. The model well explains the observed thermal dependencies of the magnetic susceptibility and the effective magnetic moment.

  1. Ion-materials interactions and their application

    International Nuclear Information System (INIS)

    Whitlow, H.J.

    1998-01-01

    The interaction of energetic ions and other charged particles with solid matter leads to a wealth of physical processes. This thesis comprises a collection of papers and an introductory commentary, which explore some aspects of how these interactions may be used for: (i) Characterisation of thin surface layers of material, (ii) characterisation of energetic charged particles, and (iii) modification of materials by ion bombardment. In (i) Elastic Recoil Detection using a detector system for measurement of Time of Flight and kinetic energy of recoiling target atoms has been developed as a quantitative method for elemental depth profiling of thin (0.5-1 μm) surface layers. This method has been applied to the study of reactions of metal/III-V structures, which are of importance for the semiconductor industry. (ii) MeV-ion - materials interactions have been used as the basis for developing Si p-i-n detectors for the CHICSi programme which will undertake experimental studies of heavy ion collisions at intermediate energies. This involved development and testing of extremely thin (10-12 μm) Si ΔE detectors for characterising light- and intermediate mass charged particles as well as calibration of Si p-i-n detectors and their susceptibility to radiation damage. (iii) Nuclear Reaction Analysis (NRA) with resonant nuclear reactions has been used to study modification of material with ion beams. In the first study, the accumulation of fluorine in BF 2 + ion implanted WSi 2 solid diffusion sources was investigated. The second study investigated if there was a correlation between photoluminescence and segregation of hydrogen to buried heterojunctions in plasma-etched III-V quantum-well structures. The ion bombardment in this case was during etching in an Ar+CH 4 plasma using an Electron Cyclotron Resonance (ECR) source. (author)

  2. Performance Model for High-Power Lithium Titanate Oxide Batteries based on Extended Characterization Tests

    DEFF Research Database (Denmark)

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

    2015-01-01

    Lithium-ion (Li-ion) batteries are found nowadays not only in portable/consumer electronics but also in more power demanding applications, such as stationary renewable energy storage, automotive and back-up power supply, because of their superior characteristics in comparison to other energy...... storage technologies. Nevertheless, prior to be used in any of the aforementioned application, a Li-ion battery cell must be intensively characterized and its behavior needs to be understood. This can be realized by performing extended laboratory characterization tests and developing Li-ion battery...... performance models. Furthermore, accurate performance models are necessary in order to analyze the behavior of the battery cell under different mission profiles, by simulation; thus, avoiding time and cost demanding real life tests. This paper presents the development and the parametrization of a performance...

  3. Potentiometric and spectroscopic study of the interaction of 3d transition metal ions with inositol hexakisphosphate

    Science.gov (United States)

    Veiga, Nicolás; Macho, Israel; Gómez, Kerman; González, Gabriel; Kremer, Carlos; Torres, Julia

    2015-10-01

    Among myo-inositol phosphates, the most abundant in nature is the myo-inositol hexakisphosphate, InsP6. Although it is known to be vital to cell functioning, the biochemical research into its metabolism needs chemical and structural analysis of all the protonation, complexation and precipitation processes that it undergoes in the biological media. In view of its high negative charge at physiological level, our group has been leading a thorough research into the InsP6 chemical and structural behavior in the presence of the alkali and alkaline earth metal ions essential for life. The aim of this article is to extend these studies, dealing with the chemical and structural features of the InsP6 interaction with biologically relevant 3d transition metal ions (Fe(II), Fe(III), Mn(II), Co(II), Ni(II), Cu(II) and Zn(II)), in a non-interacting medium and under simulated physiological conditions. The metal-complex stability constants were determined by potentiometry, showing under ligand-excess conditions the formation of mononuclear species in different protonation states. Under metal ion excess, polymetallic species were detected for Fe(II), Fe(III), Zn(II) and Cu(II). Additionally, the 31P NMR and UV-vis spectroscopic studies provided interesting structural aspects of the strong metal ion-InsP6 interaction.

  4. Extraction of highly charged ions from the Berlin Electron Beam Ion Trap for interactions with a gas target

    International Nuclear Information System (INIS)

    Allen, F.I.; Biedermann, C.; Radtke, R.; Fussmann, G.

    2006-01-01

    Highly charged ions are extracted from the Berlin Electron Beam Ion Trap for investigations of charge exchange with a gas target. The classical over-the-barrier model for slow highly charged ions describes this process, whereby one or more electrons are captured from the target into Rydberg states of the ion. The excited state relaxes via a radiative cascade of the electron to ground energy. The cascade spectra are characteristic of the capture state. We investigate x-ray photons emitted as a result of interactions between Ar 17+ ions at energies ≤5q keV with Ar atoms. Of particular interest is the velocity dependence of the angular momentum capture state l c

  5. Interaction of intersteller pick-up ions with the solar wind

    International Nuclear Information System (INIS)

    Mobius, E.; Klecker, B.; Hovestadt, D.; Scholer, M.

    1988-01-01

    The interaction of interstellar pick-up ions with the solar wind is studied by comparing a model for the velocity distribution function of pick-up ions with actual measurements of He + ions in the solar wind. The model includes the effects of pitch-angle diffusion due to interplanetary Alfven waves, adiabatic deceleration in the expanding solar wind and the radial variation of the source function. It is demonstrated that the scattering mean free path is in the range ≤0.1 AU and that energy diffusion can be neglected as compared with adiabatic deceleration. The effects of adiabatic focusing, of the radial variation of the neutral density and of an variation of the solar wind velocity with distance from the Sun are investigated. With the correct choice of these parameters the authors can model the measured energy spectra of the pick-up ions does not vary with the solar wind velocity and the direction of the interplanetary magnetic field for a given local neutral gas density and ionization rate. Therefore, the comparison of the model distributions with the measurements leads to a quantitative determination of the local interstellar gas density

  6. Event Generators for Simulating Heavy Ion Interactions of Interest in Evaluating Risks in Human Spaceflight

    Science.gov (United States)

    Wilson, Thomas L.; Pinsky, Lawrence; Andersen, Victor; Empl, Anton; Lee, Kerry; Smirmov, Georgi; Zapp, Neal; Ferrari, Alfredo; Tsoulou, Katerina; Roesler, Stefan; hide

    2005-01-01

    Simulating the Space Radiation environment with Monte Carlo Codes, such as FLUKA, requires the ability to model the interactions of heavy ions as they penetrate spacecraft and crew member's bodies. Monte-Carlo-type transport codes use total interaction cross sections to determine probabilistically when a particular type of interaction has occurred. Then, at that point, a distinct event generator is employed to determine separately the results of that interaction. The space radiation environment contains a full spectrum of radiation types, including relativistic nuclei, which are the most important component for the evaluation of crew doses. Interactions between incident protons with target nuclei in the spacecraft materials and crew member's bodies are well understood. However, the situation is substantially less comfortable for incident heavier nuclei (heavy ions). We have been engaged in developing several related heavy ion interaction models based on a Quantum Molecular Dynamics-type approach for energies up through about 5 GeV per nucleon (GeV/A) as part of a NASA Consortium that includes a parallel program of cross section measurements to guide and verify this code development.

  7. Luminescence model with quantum impact parameter for low energy ions

    CERN Document Server

    Cruz-Galindo, H S; Martínez-Davalos, A; Belmont-Moreno, E; Galindo, S

    2002-01-01

    We have modified an analytical model of induced light production by energetic ions interacting in scintillating materials. The original model is based on the distribution of energy deposited by secondary electrons produced along the ion's track. The range of scattered electrons, and thus the energy distribution, depends on a classical impact parameter between the electron and the ion's track. The only adjustable parameter of the model is the quenching density rho sub q. The modification here presented, consists in proposing a quantum impact parameter that leads to a better fit of the model to the experimental data at low incident ion energies. The light output response of CsI(Tl) detectors to low energy ions (<3 MeV/A) is fitted with the modified model and comparison is made to the original model.

  8. Classical model with pionic degrees of freedom for the description of high energetic heavy ion collisions

    International Nuclear Information System (INIS)

    Kunz, J.

    1982-01-01

    In this thesis the classical model is extended in order to regard the inelastic processes important in the heavy ion collisions of the considered energy range. For this a classical pion field was coupled to the nucleons via the pseudo-scalar #betta# 5 -interactions. Nucleon and pion fields were treated in a completely relativistic way. The equations of motion were analytically studied for the one-nucleon system. From the statical solution the bare mass of the nucleon was determined, and its dependence on both parameters of this modell, the coupling constant and the cut-off momentum of the form factor, was considered. (orig./HSI) [de

  9. Fidelity study of superconductivity in extended Hubbard models

    Science.gov (United States)

    Plonka, N.; Jia, C. J.; Wang, Y.; Moritz, B.; Devereaux, T. P.

    2015-07-01

    The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. We find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they are attractive or repulsive, seemingly due to competing charge fluctuations.

  10. Laser-Plasma Modeling Using PERSEUS Extended-MHD Simulation Code for HED Plasmas

    Science.gov (United States)

    Hamlin, Nathaniel; Seyler, Charles

    2017-10-01

    We discuss the use of the PERSEUS extended-MHD simulation code for high-energy-density (HED) plasmas in modeling the influence of Hall and electron inertial physics on laser-plasma interactions. By formulating the extended-MHD equations as a relaxation system in which the current is semi-implicitly time-advanced using the Generalized Ohm's Law, PERSEUS enables modeling of extended-MHD phenomena (Hall and electron inertial physics) without the need to resolve the smallest electron time scales, which would otherwise be computationally prohibitive in HED plasma simulations. We first consider a laser-produced plasma plume pinched by an applied magnetic field parallel to the laser axis in axisymmetric cylindrical geometry, forming a conical shock structure and a jet above the flow convergence. The Hall term produces low-density outer plasma, a helical field structure, flow rotation, and field-aligned current, rendering the shock structure dispersive. We then model a laser-foil interaction by explicitly driving the oscillating laser fields, and examine the essential physics governing the interaction. This work is supported by the National Nuclear Security Administration stewardship sciences academic program under Department of Energy cooperative agreements DE-FOA-0001153 and DE-NA0001836.

  11. Phase diagram of an extended Agassi model

    Science.gov (United States)

    García-Ramos, J. E.; Dukelsky, J.; Pérez-Fernández, P.; Arias, J. M.

    2018-05-01

    Background: The Agassi model [D. Agassi, Nucl. Phys. A 116, 49 (1968), 10.1016/0375-9474(68)90482-X] is an extension of the Lipkin-Meshkov-Glick (LMG) model [H. J. Lipkin, N. Meshkov, and A. J. Glick, Nucl. Phys. 62, 188 (1965), 10.1016/0029-5582(65)90862-X] that incorporates the pairing interaction. It is a schematic model that describes the interplay between particle-hole and pair correlations. It was proposed in the 1960s by D. Agassi as a model to simulate the properties of the quadrupole plus pairing model. Purpose: The aim of this work is to extend a previous study by Davis and Heiss [J. Phys. G: Nucl. Phys. 12, 805 (1986), 10.1088/0305-4616/12/9/006] generalizing the Agassi model and analyze in detail the phase diagram of the model as well as the different regions with coexistence of several phases. Method: We solve the model Hamiltonian through the Hartree-Fock-Bogoliubov (HFB) approximation, introducing two variational parameters that play the role of order parameters. We also compare the HFB calculations with the exact ones. Results: We obtain the phase diagram of the model and classify the order of the different quantum phase transitions appearing in the diagram. The phase diagram presents broad regions where several phases, up to three, coexist. Moreover, there is also a line and a point where four and five phases are degenerated, respectively. Conclusions: The phase diagram of the extended Agassi model presents a rich variety of phases. Phase coexistence is present in extended areas of the parameter space. The model could be an important tool for benchmarking novel many-body approximations.

  12. Interaction of langmuir and ion acoustic waves

    International Nuclear Information System (INIS)

    Lee, Hee Jae

    1991-01-01

    Interaction of Langmuir and ion acoustic waves in a plasma is described by Landau-Ginzburg type of equation when the group velocity of the Langmuir wave is equal to the wave velocity of ion acoustic wave. (Author)

  13. Multi-phase physicochemical modeling of soil-cementitious material interaction

    International Nuclear Information System (INIS)

    Nakarai, Kenichiro; Ishida, Tetsuya; Maekawa, Koichi

    2005-01-01

    Multi-phase physicochemical modeling based on thermodynamic approach is studied on gel and capillary pores of nano-micrometers and large voids of micro-millimeters among soil foundation. A computational method about transportation of moisture and ions in pore structure for simulating concrete performance was extended for predicting time-dependent material properties of cemented soil. The proposed model was verified with experimental results of cement hydration, change of relative humidity and leaching of calcium ion from cement hydrate to underground water. (author)

  14. Wear life of sputtered MoSx films extended by high energy ion implantation

    International Nuclear Information System (INIS)

    Okazaki, Yasufumi; Fujiura, Hideo; Nishimura, Makoto

    2000-01-01

    The tribological characteristics of sputtered MoSx films have been reportedly improved by inert gas ion implantation. We tried to extend their wear life by introducing indium, carbon and gallium ion implantation. Pin-on-disk testers were used to measure friction coefficient and wear life in a vacuum, dry and humid air. Comparing with the unimplanted films, we found that the indium ion implanted films showed marked improvement in wear life in a vacuum. Carbon ion implanted films showed improvement in wear life in high humid air. Implantation was effective when it was conducted with maximum concentration at the interface between film and substrate rather than at the neighborhood of the interface inside a film. (author)

  15. Ion - biomolecule interactions and radiation damage

    International Nuclear Information System (INIS)

    Schlathoelter, T.

    2004-01-01

    Full text: The biological effects of ionizing radiation in living cells are not a mere result of the direct impact of high energy quanta of radiation. Secondary particles such as low energy electrons, radicals and (multiply charged) ions are formed within the track. The interaction of these secondary particles with biologically relevant molecules is responsible for a large fraction of biological radiation damage to a cell, as well. Singly and multiply charged ions can be of importance as both, primary and secondary particles, and are known to cause severe biological damage. For instance, in heavy ion therapy and proton therapy the pronounced Bragg peak of fast (typically a few 100 MeV/u) ions in biological tissue is utilized. The Bragg peak is located at a depth, where the ions (mostly C q+ or protons) are slowed down to about 100 keV/u and have their maximum linear energy transfer (LET) to the medium. This depth is reasonably well defined and depends on the initial ion kinetic energy. Since the ions are rapidly stopped in this energy range, penetration beyond the Bragg peak is weak and it is thus possible to 'scan' the Bragg peak through a malignant tumour without excessive damage of the surrounding tissue by mere variation of the ion kinetic energy (i.e. the penetration depth). Severe biological damage is almost only possible, when the track of a primary quantum of ionizing radiation crosses the nucleus of a cell. Particularly the induction of double strand breaks of DNA or clustered DNA lesions is potentially lethal or mutagenic. A primary particle interacting with individual molecules within this environment leads to molecular excitation, ionization and fragmentation. In the process, the primary particle looses energy and slow secondary electrons and ions are formed, which might induce further damage. For a deep understanding of biological radiation damage on the level of individual molecules it is thus important to quantify excitation, ionization and

  16. The interaction of a nanoscale coherent helium-ion probe with a crystal

    International Nuclear Information System (INIS)

    D'Alfonso, A.J.; Forbes, B.D.; Allen, L.J.

    2013-01-01

    Thickness fringing was recently observed in helium ion microscopy (HIM) when imaging magnesium oxide cubes using a 40 keV convergent probe in scanning transmission mode. Thickness fringing is also observed in electron microscopy and is due to quantum mechanical, coherent, multiple elastic scattering attenuated by inelastic phonon excitation (thermal scattering). A quantum mechanical model for elastic scattering and phonon excitation correctly models the thickness fringes formed by the helium ions. However, unlike the electron case, the signal in the diffraction plane is due mainly to the channeling of ions which have first undergone inelastic thermal scattering in the first few atomic layers so that the origin of the thickness fringes is not due to coherent interference effects. This quantum mechanical model affords insight into the interaction of a nanoscale, focused coherent ion probe with the specimen and allows us to elucidate precisely what is needed to achieve atomic resolution HIM. - Highlights: • Thickness fringing has recently been observed imaging MgO cubes using helium ion microscopy. • A quantum mechanical model for elastic scattering and phonon excitation models the fringes. • The signal is due mainly to the coherent scattering of ions after inelastic thermal scattering. • We elucidate precisely what is needed to achieve atomic resolution HIM

  17. Application of foam-extend on turbulent fluid-structure interaction

    Science.gov (United States)

    Rege, K.; Hjertager, B. H.

    2017-12-01

    Turbulent flow around flexible structures is likely to induce structural vibrations which may eventually lead to fatigue failure. In order to assess the fatigue life of these structures, it is necessary to take the action of the flow on the structure into account, but also the influence of the vibrating structure on the fluid flow. This is achieved by performing fluid-structure interaction (FSI) simulations. In this work, we have investigated the capability of a FSI toolkit for the finite volume computational fluid dynamics software foam-extend to simulate turbulence-induced vibrations of a flexible structure. A large-eddy simulation (LES) turbulence model has been implemented to a basic FSI problem of a flexible wall which is placed in a confined, turbulent flow. This problem was simulated for 2.32 seconds. This short simulation required over 200 computation hours, using 20 processor cores. Thereby, it has been shown that the simulation of FSI with LES is possible, but also computationally demanding. In order to make turbulent FSI simulations with foam-extend more applicable, more sophisticated turbulence models and/or faster FSI iteration schemes should be applied.

  18. Extended calibration range for prompt photon emission in ion beam irradiation

    CERN Document Server

    Bellini, F.

    2014-01-01

    Monitoring the dose delivered during proton and carbon ion therapy is still a matter of research. Among the possible solutions, several exploit the measurement of the single photon emission from nuclear decays induced by the irradiation. To fully characterize such emission the detectors need development, since the energy spectrum spans the range above the MeV that is not traditionally used in medical applications. On the other hand, a deeper understanding of the reactions involving gamma production is needed in order to improve the physic models of Monte Carlo codes, relevant for an accurate prediction of the prompt-gamma energy spectrum.This paper describes a calibration technique tailored for the range of energy of interest and reanalyzes the data of the interaction of a 80MeV/u fully stripped carbon ion beam with a Poly-methyl methacrylate target. By adopting the FLUKA simulation with the appropriate calibration and resolution a significant improvement in the agreement between data and simulation is report...

  19. Extended calibration range for prompt photon emission in ion beam irradiation

    International Nuclear Information System (INIS)

    Bellini, F.; Boehlen, T.T.; Chin, M.P.W.; Collamati, F.; De Lucia, E.; Faccini, R.; Ferrari, A.; Lanza, L.; Mancini-Terracciano, C.; Marafini, M.; Mattei, I.; Morganti, S.; Ortega, P.G.; Patera, V.; Piersanti, L.; Russomando, A.; Sala, P.R.

    2014-01-01

    Monitoring the dose delivered during proton and carbon ion therapy is still a matter of research. Among the possible solutions, several exploit the measurement of the single photon emission from nuclear decays induced by the irradiation. To fully characterize such emission the detectors need development, since the energy spectrum spans the range above the MeV that is not traditionally used in medical applications. On the other hand, a deeper understanding of the reactions involving gamma production is needed in order to improve the physic models of Monte Carlo codes, relevant for an accurate prediction of the prompt-gamma energy spectrum. This paper describes a calibration technique tailored for the range of energy of interest and reanalyzes the data of the interaction of a 80 MeV/u fully stripped carbon ion beam with a Poly-methyl methacrylate target. By adopting the FLUKA simulation with the appropriate calibration and resolution a significant improvement in the agreement between data and simulation is reported

  20. Extended calibration range for prompt photon emission in ion beam irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Bellini, F. [Dipartimento di Fisica, Sapienza Università di Roma, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Boehlen, T.T.; Chin, M.P.W. [CERN, Geneva (Switzerland); Collamati, F. [Dipartimento di Fisica, Sapienza Università di Roma, Roma (Italy); INFN Sezione di Roma, Roma (Italy); De Lucia, E. [Laboratori Nazionali di Frascati dell' INFN, Frascati (Italy); Faccini, R., E-mail: riccardo.faccini@roma1.infn.it [Dipartimento di Fisica, Sapienza Università di Roma, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Ferrari, A. [CERN, Geneva (Switzerland); Lanza, L. [Dipartimento di Fisica, Sapienza Università di Roma, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Mancini-Terracciano, C. [CERN, Geneva (Switzerland); Dipartimento di Fisica, Università Roma Tre, Roma (Italy); Marafini, M. [Museo Storico della Fisica e Centro Studi e Ricerche “E. Fermi”, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Mattei, I. [Dipartimento di Fisica, Università Roma Tre, Roma (Italy); Laboratori Nazionali di Frascati dell' INFN, Frascati (Italy); Morganti, S. [INFN Sezione di Roma, Roma (Italy); Ortega, P.G. [CERN, Geneva (Switzerland); Patera, V. [Dipartimento di Scienze di Base e Applicate per Ingegneria, Sapienza Università di Roma, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Piersanti, L. [Dipartimento di Scienze di Base e Applicate per Ingegneria, Sapienza Università di Roma, Roma (Italy); Laboratori Nazionali di Frascati dell' INFN, Frascati (Italy); Russomando, A. [Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, Roma (Italy); INFN Sezione di Roma, Roma (Italy); Sala, P.R. [INFN Sezione di Milano, Milano (Italy); and others

    2014-05-01

    Monitoring the dose delivered during proton and carbon ion therapy is still a matter of research. Among the possible solutions, several exploit the measurement of the single photon emission from nuclear decays induced by the irradiation. To fully characterize such emission the detectors need development, since the energy spectrum spans the range above the MeV that is not traditionally used in medical applications. On the other hand, a deeper understanding of the reactions involving gamma production is needed in order to improve the physic models of Monte Carlo codes, relevant for an accurate prediction of the prompt-gamma energy spectrum. This paper describes a calibration technique tailored for the range of energy of interest and reanalyzes the data of the interaction of a 80 MeV/u fully stripped carbon ion beam with a Poly-methyl methacrylate target. By adopting the FLUKA simulation with the appropriate calibration and resolution a significant improvement in the agreement between data and simulation is reported.

  1. Influence of the inter-ion interaction on the phase diagrams of the 1D Falicov-Kimball system

    Science.gov (United States)

    Gajek, Z.; Lemański, R.

    2004-05-01

    A model of itinerant, spinless electrons interacting with ions via the on-site Coulomb potential U, modified by the inter-ionic nearest-neighbour interaction V, is studied on the one-dimensional infinite lattice. Only periodical configurations of the ions with a limited number of lattice sites in a unit cell and their mixtures are taken into account. Phases whose energies reach minimum values for given electron and ion chemical potentials are selected and depicted for a set of model parameters. Then the results are translated into the ion density-electron density canonical phase diagrams and summarized in the electrondensity-U plane. The diagrams clearly show how various kinds of charge ordering evolve with V, starting from V=0 case, that represents the standard Falicov-Kimball model discussed previously.

  2. Influence of the inter-ion interaction on the phase diagrams of the 1D Falicov-Kimball system

    International Nuclear Information System (INIS)

    Gajek, Z.; Lemanski, R.

    2004-01-01

    A model of itinerant, spinless electrons interacting with ions via the on-site Coulomb potential U, modified by the inter-ionic nearest-neighbour interaction V, is studied on the one-dimensional infinite lattice. Only periodical configurations of the ions with a limited number of lattice sites in a unit cell and their mixtures are taken into account. Phases whose energies reach minimum values for given electron and ion chemical potentials are selected and depicted for a set of model parameters. Then the results are translated into the ion density-electron density canonical phase diagrams and summarized in the electron density-U plane. The diagrams clearly show how various kinds of charge ordering evolve with V, starting from V=0 case, that represents the standard Falicov-Kimball model discussed previously

  3. Influence of the inter-ion interaction on the phase diagrams of the 1D Falicov-Kimball system

    Energy Technology Data Exchange (ETDEWEB)

    Gajek, Z. E-mail: gajek@int.pan.wroc.pl; Lemanski, R

    2004-05-01

    A model of itinerant, spinless electrons interacting with ions via the on-site Coulomb potential U, modified by the inter-ionic nearest-neighbour interaction V, is studied on the one-dimensional infinite lattice. Only periodical configurations of the ions with a limited number of lattice sites in a unit cell and their mixtures are taken into account. Phases whose energies reach minimum values for given electron and ion chemical potentials are selected and depicted for a set of model parameters. Then the results are translated into the ion density-electron density canonical phase diagrams and summarized in the electron density-U plane. The diagrams clearly show how various kinds of charge ordering evolve with V, starting from V=0 case, that represents the standard Falicov-Kimball model discussed previously.

  4. Multi-timescale power and energy assessment of lithium-ion battery and supercapacitor hybrid system using extended Kalman filter

    Science.gov (United States)

    Wang, Yujie; Zhang, Xu; Liu, Chang; Pan, Rui; Chen, Zonghai

    2018-06-01

    The power capability and maximum charge and discharge energy are key indicators for energy management systems, which can help the energy storage devices work in a suitable area and prevent them from over-charging and over-discharging. In this work, a model based power and energy assessment approach is proposed for the lithium-ion battery and supercapacitor hybrid system. The model framework of the lithium-ion battery and supercapacitor hybrid system is developed based on the equivalent circuit model, and the model parameters are identified by regression method. Explicit analyses of the power capability and maximum charge and discharge energy prediction with multiple constraints are elaborated. Subsequently, the extended Kalman filter is employed for on-board power capability and maximum charge and discharge energy prediction to overcome estimation error caused by system disturbance and sensor noise. The charge and discharge power capability, and the maximum charge and discharge energy are quantitatively assessed under both the dynamic stress test and the urban dynamometer driving schedule. The maximum charge and discharge energy prediction of the lithium-ion battery and supercapacitor hybrid system with different time scales are explored and discussed.

  5. Numerical modelling of ion transport in flames

    KAUST Repository

    Han, Jie

    2015-10-20

    This paper presents a modelling framework to compute the diffusivity and mobility of ions in flames. The (n, 6, 4) interaction potential is adopted to model collisions between neutral and charged species. All required parameters in the potential are related to the polarizability of the species pair via semi-empirical formulas, which are derived using the most recently published data or best estimates. The resulting framework permits computation of the transport coefficients of any ion found in a hydrocarbon flame. The accuracy of the proposed method is evaluated by comparing its predictions with experimental data on the mobility of selected ions in single-component neutral gases. Based on this analysis, the value of a model constant available in the literature is modified in order to improve the model\\'s predictions. The newly determined ion transport coefficients are used as part of a previously developed numerical approach to compute the distribution of charged species in a freely propagating premixed lean CH4/O2 flame. Since a significant scatter of polarizability data exists in the literature, the effects of changes in polarizability on ion transport properties and the spatial distribution of ions in flames are explored. Our analysis shows that changes in polarizability propagate with decreasing effect from binary transport coefficients to species number densities. We conclude that the chosen polarizability value has a limited effect on the ion distribution in freely propagating flames. We expect that the modelling framework proposed here will benefit future efforts in modelling the effect of external voltages on flames. Supplemental data for this article can be accessed at http://dx.doi.org/10.1080/13647830.2015.1090018. © 2015 Taylor & Francis.

  6. Biophysical aspects of heavy ion interactions in matter

    International Nuclear Information System (INIS)

    Schimmerling, W.; Wong, M.; Ludewigt, B.; Phillips, M.; Alpen, E.L.; Powers-Risius, P.; DeGuzman, R.J.; Townsend, L.W.; Wilson, J.W.

    1989-01-01

    The biological effects of high energy, high charge nuclei (HZE particles) occupy a central role in the management of space radiation hazards due to galactic cosmic rays. For the energy range of interest, the mean free path for nuclear interactions of these heavy ions is comparable to the thickness of the material traversed, and a significant fraction of stopping particles will undergo a nuclear reaction with the nuclei of the stopping material. Transport methods for HZE particles are dependent on models of the interaction of man-made systems with the space environment to an even greater extent than methods used for other types of radiation. Hence, there is a major need to validate these transport codes by comparison with experimental data. The basic physical properties of HZE particles will be reviewed and illustrated with the results of nuclear fragmentation experiments performed with 670A MeV neon ions incident on a water absorber and with measurements of multiple Coulomb scattering of uranium beams in copper. Finally, the extent to which physical measurements yield radiobiological predictions is illustrated for the example of neon

  7. Marginal and Interaction Effects in Ordered Response Models

    OpenAIRE

    Debdulal Mallick

    2009-01-01

    In discrete choice models the marginal effect of a variable of interest that is interacted with another variable differs from the marginal effect of a variable that is not interacted with any variable. The magnitude of the interaction effect is also not equal to the marginal effect of the interaction term. I present consistent estimators of both marginal and interaction effects in ordered response models. This procedure is general and can easily be extended to other discrete choice models. I ...

  8. Non-Fermi liquid behaviour in an extended Anderson model

    International Nuclear Information System (INIS)

    Liu Yuliang; Su Zhaobin; Yu Lu.

    1996-08-01

    An extended Anderson model, including screening channels (non-hybridizing, but interacting with the local orbit), is studied within the Anderson-Yuval approach, originally devised for the single-chanell Kondo problem. By comparing the perturbation expansions of this model and a generalized resonant level model, the spin-spin correlation functions are calculated which show non-Fermi liquid exponent depending on the strength of the scattering potential. The relevance of this result to experiments in some heavy fermion systems is briefly discussed. (author). 31 refs

  9. Modeling the interaction of high power ion or electron beams with solid target materials

    International Nuclear Information System (INIS)

    Hassanein, A.M.

    1983-11-01

    Intense energy deposition on first wall materials and other components as a result of plasma disruptions in magnetic fusion devices are expected to cause melting and vaporization of these materials. The exact amount of vaporization losses and melt layer thickness are very important to fusion reactor design and lifetime. Experiments using ion or electron beams to simulate the disruption effects have different environments than the actual disruption conditions in fusion reactors. A model has been developed to accurately simulate the beam-target interactions so that the results from such experiments can be meaningful and useful to reactor design. This model includes a two dimensional solution of the heat conduction equation with moving boundaries. It is found that the vaporization and melting of the sample strongly depends on the characteristics of the beam spatial distribution, beam diameter, and on the power-time variation of the beam

  10. Fast ions and hot electrons in the laser--plasma interaction

    International Nuclear Information System (INIS)

    Gitomer, S.J.; Jones, R.D.; Begay, F.; Ehler, A.W.; Kephart, J.F.; Kristal, R.

    1986-01-01

    Data on the emission of energetic ions produced in laser--matter interactions have been analyzed for a wide variety of laser wavelengths, energies, and pulse lengths. Strong correlation has been found between the bulk energy per AMU for fast ions measured by charge cups and the x-ray-determined hot electron temperature. Five theoretical models have been used to explain this correlation. The models include (1) a steady-state spherically symmetric fluid model with classical electron heat conduction, (2) a steady-state spherically symmetric fluid model with flux limited electron heat conduction, (3) a simple analytic model of an isothermal rarefaction followed by a free expansion, (4) the lasneX hydrodynamics code [Comments Plasma Phys. Controlled Fusion 2, 85 (1975)], calculations employing a spherical expansion and simple initial conditions, and (5) the lasneX code with its full array of absorption, transport, and emission physics. The results obtained with these models are in good agreement with the experiments and indicate that the detailed shape of the correlation curve between mean fast ion energy and hot electron temperature is due to target surface impurities at the higher temperatures (higher laser intensities) and to the expansion of bulk target material at the lower temperatures (lower laser intensities)

  11. Estimating Lithium-Ion Battery State of Charge and Parameters Using a Continuous-Discrete Extended Kalman Filter

    Directory of Open Access Journals (Sweden)

    Yasser Diab

    2017-07-01

    Full Text Available A real-time determination of battery parameters is challenging because batteries are non-linear, time-varying systems. The transient behaviour of lithium-ion batteries is modelled by a Thevenin-equivalent circuit with two time constants characterising activation and concentration polarization. An experimental approach is proposed for directly determining battery parameters as a function of physical quantities. The model’s parameters are a function of the state of charge and of the discharge rate. These can be expressed by regression equations in the model to derive a continuous-discrete extended Kalman estimator of the state of charge and of other parameters. This technique is based on numerical integration of the ordinary differential equations to predict the state of the stochastic dynamic system and the corresponding error covariance matrix. Then a standard correction step of the extended Kalman filter (EKF is applied to increase the accuracy of estimated parameters. Simulations resulting from this proposed estimator model were compared with experimental results under a variety of operating scenarios—analysis of the results demonstrate the accuracy of the estimator for correctly identifying battery parameters.

  12. A state-space-based prognostics model for lithium-ion battery degradation

    International Nuclear Information System (INIS)

    Xu, Xin; Chen, Nan

    2017-01-01

    This paper proposes to analyze the degradation of lithium-ion batteries with the sequentially observed discharging profiles. A general state-space model is developed in which the observation model is used to approximate the discharging profile of each cycle, the corresponding parameter vector is treated as the hidden state, and the state-transition model is used to track the evolution of the parameter vector as the battery ages. The EM and EKF algorithms are adopted to estimate and update the model parameters and states jointly. Based on this model, we construct prediction on the end of discharge times for unobserved cycles and the remaining useful cycles before the battery failure. The effectiveness of the proposed model is demonstrated using a real lithium-ion battery degradation data set. - Highlights: • Unifying model for Li-Ion battery SOC and SOH estimation. • Extended Kalman filter based efficient inference algorithm. • Using voltage curves in discharging to have wide validity.

  13. 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)

  14. Enhanced closed loop State of Charge estimator for lithium-ion batteries based on Extended Kalman Filter

    International Nuclear Information System (INIS)

    Pérez, Gustavo; Garmendia, Maitane; Reynaud, Jean François; Crego, Jon; Viscarret, Unai

    2015-01-01

    Highlights: • Based on a general model valid in full range of SOC considering varied dynamics. • Integration of an accurate OCV model in EKF taking into account hysteresis effect. • Experimental validation with different current profiles: pulses, EV and lift. • Validated with specifically designed profile demanding accurate OCV modeling. - Abstract: The accurate State of Charge (SOC) estimation in a Li-ion battery requires a suitable model of the cell behavior. In this work an enhanced closed loop estimator based on Extended Kalman Filter (EKF) is proposed, considering a precise model of the cell dynamics valid for different current profiles and SOCs, and a complete model of the Open Circuit Voltage (OCV) which takes into account the hysteresis influence. The employed model and proposed estimator are validated with experimental results obtained from the response of a 40 Ah NMC Li-ion cell to several current profiles. These tests include current pulses, FUDS driving cycles, residential lift profiles, and specially designed profiles which demand an accurate modeling of the transitions between OCV boundaries. In each case, it is demonstrated that the enhanced model can reduce the estimation error nearly by half compared to an estimator ignoring the hysteresis effect. Furthermore, the good performance of the cell dynamics model allows an accurate and stable estimation over different conditions

  15. Ion Motion in a Plasma Interacting with Strong Magnetic Fields

    International Nuclear Information System (INIS)

    Weingarten, A.; Grabowski, C.; Chakrabarti, N.; Maron, Y.; Fruchtmant, A.

    1999-01-01

    The interaction of a plasma with strong magnetic fields takes place in many laboratory experiments and astrophysical plasmas. Applying a strong magnetic field to the plasma may result in plasma displacement, magnetization, or the formation of instabilities. Important phenomena in plasma, such as the energy transport and the momentum balance, take a different form in each case. We study this interaction in a plasma that carries a short-duration (80-ns) current pulse, generating a magnetic field of up to 17 kG. The evolution of the magnetic field, plasma density, ion velocities, and electric fields are determined before and during the current pulse. The dependence of the plasma limiting current on the plasma density and composition are studied and compared to theoretical models based on the different phenomena. When the plasma collisionality is low, three typical velocities should be taken into consideration: the proton and heavier-ion Alfven velocities (v A p and v A h , respectively) and the EMHD magnetic-field penetration velocity into the plasma (v EMHD ). If both Alfven velocities are larger than v EMHD the plasma is pushed ahead of the magnetic piston and the magnetic field energy is dissipated into ion kinetic energy. If v EMHD is the largest of three velocities, the plasma become magnetized and the ions acquire a small axial momentum only. Different ion species may drift in different directions along the current lines. In this case, the magnetic field energy is probably dissipated into electron thermal energy. When vs > V EMHD > vi, as in the case of one of our experiments, ion mass separation occurs. The protons are pushed ahead of the piston while the heavier-ions become magnetized. Since the plasma electrons are unmagnetized they cannot cross the piston, and the heavy ions are probably charge-neutralized by electrons originating from the cathode that are 'born' magnetized

  16. Solvation of positive ions in water: the dominant role of water-water interaction

    International Nuclear Information System (INIS)

    Krekeler, Christian; Site, Luigi Delle

    2007-01-01

    Local polarization effects, induced by monovalent and divalent positive ions in water, influence (and in turn are influenced by) the large-scale structural properties of the solvent. Experiments can only distinguish this process of interplay in a generic qualitative way. Instead, first-principles calculations can address the question at both the electronic and atomistic scale, accounting for electronic polarization as well as geometrical conformations. For this reason we study the extension of the scales' interconnection by means of first-principle Car-Parrinello molecular dynamics applied to systems of different size. In this way we identify the general aspects dominating the physics of the first solvation shell and their connection to the effects related to the formation of the outer shells and eventually the bulk. We show that while the influence of the ions is extended to the first shell only, the water-water interaction is instead playing a dominant role even within the first shell independently of the size or the charge of the ion. (fast track communication)

  17. Electrochemical state and internal variables estimation using a reduced-order physics-based model of a lithium-ion cell and an extended Kalman filter

    Energy Technology Data Exchange (ETDEWEB)

    Stetzel, KD; Aldrich, LL; Trimboli, MS; Plett, GL

    2015-03-15

    This paper addresses the problem of estimating the present value of electrochemical internal variables in a lithium-ion cell in real time, using readily available measurements of cell voltage, current, and temperature. The variables that can be estimated include any desired set of reaction flux and solid and electrolyte potentials and concentrations at any set of one-dimensional spatial locations, in addition to more standard quantities such as state of charge. The method uses an extended Kalman filter along with a one-dimensional physics-based reduced-order model of cell dynamics. Simulations show excellent and robust predictions having dependable error bounds for most internal variables. (C) 2014 Elsevier B.V. All rights reserved.

  18. Effects of air-sea interaction on extended-range prediction of geopotential height at 500 hPa over the northern extratropical region

    Science.gov (United States)

    Wang, Xujia; Zheng, Zhihai; Feng, Guolin

    2018-04-01

    The contribution of air-sea interaction on the extended-range prediction of geopotential height at 500 hPa in the northern extratropical region has been analyzed with a coupled model form Beijing Climate Center and its atmospheric components. Under the assumption of the perfect model, the extended-range prediction skill was evaluated by anomaly correlation coefficient (ACC), root mean square error (RMSE), and signal-to-noise ratio (SNR). The coupled model has a better prediction skill than its atmospheric model, especially, the air-sea interaction in July made a greater contribution for the improvement of prediction skill than other months. The prediction skill of the extratropical region in the coupled model reaches 16-18 days in all months, while the atmospheric model reaches 10-11 days in January, April, and July and only 7-8 days in October, indicating that the air-sea interaction can extend the prediction skill of the atmospheric model by about 1 week. The errors of both the coupled model and the atmospheric model reach saturation in about 20 days, suggesting that the predictable range is less than 3 weeks.

  19. APIPIS: the Atomic Physics Ion-Photon Interaction System

    International Nuclear Information System (INIS)

    Johnson, B.M.; Jones, K.W.; Meron, M.; Kostroun, V.O.

    1985-01-01

    A proposed new facility for the study of highly charged heavy ions is described. The basic elements of APIPIS, the Atomic Physics Ion-Photon Interaction System, are: (1) a source of multiply-charged ions; (2) a linear accelerator; (3) a synchrotron storage ring; and (4) a source of high brightness x rays. The placement of a heavy ion storage ring at the x-ray ring of the National Synchrotron Light Source will provide unique opportunities for the study of photo-excitation of heavy ions

  20. Pickup ion processes associated with spacecraft thrusters: Implications for solar probe plus

    Energy Technology Data Exchange (ETDEWEB)

    Clemens, Adam, E-mail: a.j.clemens@qmul.ac.uk; Burgess, David [School of Physics and Astronomy, Queen Mary University of London, London (United Kingdom)

    2016-03-15

    Chemical thrusters are widely used in spacecraft for attitude control and orbital manoeuvres. They create an exhaust plume of neutral gas which produces ions via photoionization and charge exchange. Measurements of local plasma properties will be affected by perturbations caused by the coupling between the newborn ions and the plasma. A model of neutral expansion has been used in conjunction with a fully three-dimensional hybrid code to study the evolution and ionization over time of the neutral cloud produced by the firing of a mono-propellant hydrazine thruster as well as the interactions of the resulting ion cloud with the ambient solar wind. Results are presented which show that the plasma in the region near to the spacecraft will be perturbed for an extended period of time with the formation of an interaction region around the spacecraft, a moderate amplitude density bow wave bounding the interaction region and evidence of an instability at the forefront of the interaction region which causes clumps of ions to be ejected from the main ion cloud quasi-periodically.

  1. Mechanistic insights into the interaction between energetic oxygen ions and nanosized ZnFe2O4: XAS-XMCD investigations.

    Science.gov (United States)

    Singh, Jitendra Pal; Kaur, Baljeet; Sharma, Aditya; Kim, So Hee; Gautam, Sanjeev; Srivastava, Ramesh Chandra; Goyal, Navdeep; Lim, Weol Cheol; Lin, H-J; Chen, J M; Asokan, K; Kanjilal, D; Won, Sung Ok; Lee, Ik-Jae; Chae, Keun Hwa

    2018-04-20

    as a result of this interaction, as determined from extended X-ray absorption fine structure measurements. These measurements further support the observation of cation migration from AO4 tetrahedra to AO6 octahedra and vice versa. The Fe L-edge magnetic circular dichroism spectra indicate that Fe3+ ions occupying sites in AO4 tetrahedra and BO6 octahedra exhibited antiferromagnetic-like ordering prior to this interaction. The NPs that interacted with energetic O ions displayed a different kind of magnetic ordering.

  2. Interactions of relativistic heavy ions in thick heavy element targets and some unresolved problems

    International Nuclear Information System (INIS)

    Brandt, R.; Ditlov, V.A.; Pozharova, E.A.; Smirnitskij, V.A.

    2005-01-01

    Interactions of relativistic heavy ions with total energies above 30 GeV in thick Cu and Pb targets (≥2 cm) have been studied with various techniques. Radiochemical irradiation experiments using thick Cu targets, both in a compact form or as diluted '2π-Cu targets' have been carried out with several relativistic heavy ions, such as 44 GeV 12 C (JINR, Dubna) and 72 GeV 40 Ar (LBL, Berkeley, USA). Neutron measuring experiments using thick targets irradiated with various relativistic heavy ions up to 44 GeV 12 C have been performed at JINR. In addition, the number of 'black prongs' in nuclear interactions (due to protons with energies less than 30 MeV and emitted from the target-like interaction partner at rest) produced with 72 GeV 22 Ne ions in nuclear emulsion plates has been measured in the first nuclear interaction of the primary 22 Ne ion and in the following second nuclear interaction of the secondary heavy (Z>1) ion. Some essential results have been obtained. 1) Spallation products produced by relativistic secondary fragments in interactions ([44 GeV 12 C or 72 GeV 40 Ar]+Cu) within thick copper yield less products close to the target and much more products far away from the target as compared to primary beam interactions. This applies also to secondary particles emitted into large angles (Θ>10deg). 2) The neutron production of 44 GeV 12 C within thick Cu and Pb targets is beyond the estimated yield as based on experiments with 12 GeV 12 C. These rather independent experimental results cannot be understood with well-accepted nuclear reaction models. They appear to present unresolved problems

  3. Analog quantum simulation of generalized Dicke models in trapped ions

    Science.gov (United States)

    Aedo, Ibai; Lamata, Lucas

    2018-04-01

    We propose the analog quantum simulation of generalized Dicke models in trapped ions. By combining bicromatic laser interactions on multiple ions we can generate all regimes of light-matter coupling in these models, where here the light mode is mimicked by a motional mode. We present numerical simulations of the three-qubit Dicke model both in the weak field (WF) regime, where the Jaynes-Cummings behavior arises, and the ultrastrong coupling (USC) regime, where a rotating-wave approximation cannot be considered. We also simulate the two-qubit biased Dicke model in the WF and USC regimes and the two-qubit anisotropic Dicke model in the USC regime and the deep-strong coupling regime. The agreement between the mathematical models and the ion system convinces us that these quantum simulations can be implemented in the laboratory with current or near-future technology. This formalism establishes an avenue for the quantum simulation of many-spin Dicke models in trapped ions.

  4. Model of charge-state distributions for electron cyclotron resonance ion source plasmas

    Directory of Open Access Journals (Sweden)

    D. H. Edgell

    1999-12-01

    Full Text Available A computer model for the ion charge-state distribution (CSD in an electron cyclotron resonance ion source (ECRIS plasma is presented that incorporates non-Maxwellian distribution functions, multiple atomic species, and ion confinement due to the ambipolar potential well that arises from confinement of the electron cyclotron resonance (ECR heated electrons. Atomic processes incorporated into the model include multiple ionization and multiple charge exchange with rate coefficients calculated for non-Maxwellian electron distributions. The electron distribution function is calculated using a Fokker-Planck code with an ECR heating term. This eliminates the electron temperature as an arbitrary user input. The model produces results that are a good match to CSD data from the ANL-ECRII ECRIS. Extending the model to 1D axial will also allow the model to determine the plasma and electrostatic potential profiles, further eliminating arbitrary user input to the model.

  5. Interaction of relativistic H- ions with thin foils

    International Nuclear Information System (INIS)

    Mohagheghi, A.H.

    1990-09-01

    The response of relativistic H - ions to thin carbon foils was investigated for beam energies ranging from 226 MeV to 800 MeV. For the foil thicknesses we have studied, ranging from 15 to 300 μg/cm 2 , an appreciable fraction of the H - beam survives intact, some H - ions are stripped down to protons, and the remainder is distributed over the states of H 0 . This experiment is different from the low energy studies in that the projectile velocity is comparable to the speed of light, leading to an interaction time of typically less than a femtosecond. The present results challenge the theoretical understanding of the interaction mechanisms. An electron spectrometer was used to selectively field-ionize the Rydberg states, 9 < n < 17, at beam energies of 581 MeV and 800 MeV. The yield of low-lying states were measured by Doppler tuning a Nd:YAG laser to excite transitions to a Rydberg state which was then field-ionized and detected. A simple model is developed to fit the yield of each state as a function of foil thickness. The simple model is successful in predicting the general features of the yield data. However, the data are suggestive of a more complex structure in the yield curves. The yield of a given state depends strongly on the foil thickness, demonstrating that the excited states are formed during the passage of the ions through a foil. The optimum thickness to produce a given state increases with the principal quantum number of the state suggesting an excitation process which is at least pratially stepwise. The results of a Monte Carlo simulation are compared with the experimental data to estimate the distribution of the excited states coming out of a foil. The distributions of the excited states and their dependence on foil thickness are discussed

  6. Estimation method of state-of-charge for lithium-ion battery used in hybrid electric vehicles based on variable structure extended kalman filter

    Science.gov (United States)

    Sun, Yong; Ma, Zilin; Tang, Gongyou; Chen, Zheng; Zhang, Nong

    2016-07-01

    Since the main power source of hybrid electric vehicle(HEV) is supplied by the power battery, the predicted performance of power battery, especially the state-of-charge(SOC) estimation has attracted great attention in the area of HEV. However, the value of SOC estimation could not be greatly precise so that the running performance of HEV is greatly affected. A variable structure extended kalman filter(VSEKF)-based estimation method, which could be used to analyze the SOC of lithium-ion battery in the fixed driving condition, is presented. First, the general lower-order battery equivalent circuit model(GLM), which includes column accumulation model, open circuit voltage model and the SOC output model, is established, and the off-line and online model parameters are calculated with hybrid pulse power characteristics(HPPC) test data. Next, a VSEKF estimation method of SOC, which integrates the ampere-hour(Ah) integration method and the extended Kalman filter(EKF) method, is executed with different adaptive weighting coefficients, which are determined according to the different values of open-circuit voltage obtained in the corresponding charging or discharging processes. According to the experimental analysis, the faster convergence speed and more accurate simulating results could be obtained using the VSEKF method in the running performance of HEV. The error rate of SOC estimation with the VSEKF method is focused in the range of 5% to 10% comparing with the range of 20% to 30% using the EKF method and the Ah integration method. In Summary, the accuracy of the SOC estimation in the lithium-ion battery cell and the pack of lithium-ion battery system, which is obtained utilizing the VSEKF method has been significantly improved comparing with the Ah integration method and the EKF method. The VSEKF method utilizing in the SOC estimation in the lithium-ion pack of HEV can be widely used in practical driving conditions.

  7. Experiments on the interaction of heavy ions with dense plasma at GSI-Darmstadt

    International Nuclear Information System (INIS)

    Stoeckl, C.; Boine-Frankenheim, O.; Geissel, M.; Roth, M.; Wetzler, H.; Seelig, W.; Iwase, O.; Spiller, P.; Bock, R.; Suess, W.; Hoffmann, D.H.H.

    1998-01-01

    One of the main objectives of the experimental plasma physics activities at the Gesellschaft fuer Schwerionenforschung (GSI) are the interaction processes of heavy ions with dense ionized matter. Gas-discharge plasma targets were used for energy loss and charge state measurements in a regime of electron density and temperature up to 10 19 cm -3 and 20 eV, respectively. An improved model of the charge exchange processes in fully ionized hydrogen plasma, taking into account multiple excited electronic configurations which subsequently ionize, has removed the discrepancies of previous theoretical descriptions. The energy loss of the ion beam in partially ionized plasmas such as argon was found to agree very well with our simple theoretical model based on the modified Bethe-Bloch theory. A new setup with a 100 J/5 GW Nd-glass laser now provides access to density ranges up to 10 21 cm -3 and temperatures of up to 100 eV. First results of interaction experiments with laser-produced plasma are presented. To fully exploit the experimental possibilities of the new laser-plasma setup both improved charge state detection systems and better plasma diagnostics are indispensable. Present developments and future possibilities in these fields are presented. This paper summarizes the following contributions: Interaction of heavy-ion beams with laser plasma by C. Stoeckl et al. Energy loss of heavy ions in a laser-produced plasma by M. Roth et al. Charge state measurements of heavy ions passing a laser produced plasma with high time resolution by W. Suess et al. Plasma diagnostics for laser-produced plasma by O. Iwase et al. Future possibilities of plasma diagnostics at GSI by M. Geissel et al. (orig.)

  8. Screened ion-ion interaction in mercury-chain compounds: Single chain

    International Nuclear Information System (INIS)

    Mohan, M.M.; Griffin, A.

    1985-01-01

    At room temperature, the mercury chains in Hg/sub 3-delta/AsF 6 exhibit phonons characteristic of a one-dimensional lattice. We calculate the screening of the Hg ion-ion interaction in a single chain by electrons moving in a cylindrical potential of finite radius, within the random-phase approximation. The resulting Bohm-Staver-type expression for the phonon velocity is (Z 2 mN/sub I//MN/sub e/)/sup 1/2/v/sub F/, where Z is the Hg ionic charge and N/sub I/ (N/sub e/) is the number of ions (electrons) per unit length. Use of the Tomonaga-Luttinger solution for the electronic response function (keeping only the small-momentum scattering processes) just renormalizes the Fermi velocity in this expression

  9. A Lagrangian model for laser-induced fluorescence and its application to measurements of plasma ion temperature and electrostatic waves

    Science.gov (United States)

    Chu, F.; Skiff, F.

    2018-01-01

    Extensive information can be obtained on wave-particle interactions and wave fields by a direct measurement of perturbed ion distribution functions using laser-induced fluorescence (LIF). For practical purposes, LIF is frequently performed on metastable states that are produced from neutral gas particles and ions in other electronic states. If the laser intensity is increased to obtain a better LIF signal, then optical pumping can produce systematic effects depending on the collision rates which control metastable population and lifetime. We numerically simulate the ion velocity distribution measurement and wave-detection process using a Lagrangian model for the LIF signal for the case where metastables are produced directly from neutrals. This case requires more strict precautions and is important for discharges with energetic primary electrons and a high density of neutrals. Some of the results also apply to metastables produced from pre-existing ions. The simulations show that optical pumping broadening affects the ion velocity distribution function f0(v) and its first-order perturbation f1(v,t) when the laser intensity is increased above a certain level. The results also suggest that ion temperature measurements are only accurate when the metastable ions can live longer than the ion-ion collision mean free time. For the purposes of wave detection, the wave period has to be significantly shorter than the lifetime of metastable ions for a direct interpretation. It is more generally true that metastable ions may be viewed as test-particles. As long as an appropriate model is available, LIF can be extended to a range of environments.

  10. An Analytical Model for Adsorption and Diffusion of Atoms/Ions on Graphene Surface

    Directory of Open Access Journals (Sweden)

    Yan-Zi Yu

    2015-01-01

    Full Text Available Theoretical investigations are made on adsorption and diffusion of atoms/ions on graphene surface based on an analytical continuous model. An atom/ion interacts with every carbon atom of graphene through a pairwise potential which can be approximated by the Lennard-Jones (L-J potential. Using the Fourier expansion of the interaction potential, the total interaction energy between the adsorption atom/ion and a monolayer graphene is derived. The energy-distance relationships in the normal and lateral directions for varied atoms/ions, including gold atom (Au, platinum atom (Pt, manganese ion (Mn2+, sodium ion (Na1+, and lithium-ion (Li1+, on monolayer graphene surface are analyzed. The equilibrium position and binding energy of the atoms/ions at three particular adsorption sites (hollow, bridge, and top are calculated, and the adsorption stability is discussed. The results show that H-site is the most stable adsorption site, which is in agreement with the results of other literatures. What is more, the periodic interaction energy and interaction forces of lithium-ion diffusing along specific paths on graphene surface are also obtained and analyzed. The minimum energy barrier for diffusion is calculated. The possible applications of present study include drug delivery system (DDS, atomic scale friction, rechargeable lithium-ion graphene battery, and energy storage in carbon materials.

  11. Influence of the interaction of ions-dust grains on ion acoustic wave and dust acoustic wave

    International Nuclear Information System (INIS)

    Hua Jianjun; Liu Jinyuan; Ma Tengcai

    2004-01-01

    Based on a set of hydrodynamic equations and a linear time-dependent perturbation theory, the influence of the interaction of ions-dust grains on ion acoustic wave IAW and dust acoustic wave DAW in dusty plasma is analyzed. The results show that the interaction makes IAW more stable and DAW less stable

  12. Extended Neural Metastability in an Embodied Model of Sensorimotor Coupling

    Directory of Open Access Journals (Sweden)

    Miguel Aguilera

    2016-09-01

    Full Text Available The hypothesis that brain organization is based on mechanisms of metastable synchronization in neural assemblies has been popularized during the last decades of neuroscientific research. Nevertheless, the role of body and environment for understanding the functioning of metastable assemblies is frequently dismissed. The main goal of this paper is to investigate the contribution of sensorimotor coupling to neural and behavioural metastability using a minimal computational model of plastic neural ensembles embedded in a robotic agent in a behavioural preference task. Our hypothesis is that, under some conditions, the metastability of the system is not restricted to the brain but extends to the system composed by the interaction of brain, body and environment. We test this idea, comparing an agent in continuous interaction with its environment in a task demanding behavioural flexibility with an equivalent model from the point of view of 'internalist neuroscience'. A statistical characterization of our model and tools from information theory allows us to show how (1 the bidirectional coupling between agent and environment brings the system closer to a regime of criticality and triggers the emergence of additional metastable states which are not found in the brain in isolation but extended to the whole system of sensorimotor interaction, (2 the synaptic plasticity of the agent is fundamental to sustain open structures in the neural controller of the agent flexibly engaging and disengaging different behavioural patterns that sustain sensorimotor metastable states, and (3 these extended metastable states emerge when the agent generates an asymmetrical circular loop of causal interaction with its environment, in which the agent responds to variability of the environment at fast timescales while acting over the environment at slow timescales, suggesting the constitution of the agent as an autonomous entity actively modulating its sensorimotor coupling

  13. Extended Neural Metastability in an Embodied Model of Sensorimotor Coupling.

    Science.gov (United States)

    Aguilera, Miguel; Bedia, Manuel G; Barandiaran, Xabier E

    2016-01-01

    The hypothesis that brain organization is based on mechanisms of metastable synchronization in neural assemblies has been popularized during the last decades of neuroscientific research. Nevertheless, the role of body and environment for understanding the functioning of metastable assemblies is frequently dismissed. The main goal of this paper is to investigate the contribution of sensorimotor coupling to neural and behavioral metastability using a minimal computational model of plastic neural ensembles embedded in a robotic agent in a behavioral preference task. Our hypothesis is that, under some conditions, the metastability of the system is not restricted to the brain but extends to the system composed by the interaction of brain, body and environment. We test this idea, comparing an agent in continuous interaction with its environment in a task demanding behavioral flexibility with an equivalent model from the point of view of "internalist neuroscience." A statistical characterization of our model and tools from information theory allow us to show how (1) the bidirectional coupling between agent and environment brings the system closer to a regime of criticality and triggers the emergence of additional metastable states which are not found in the brain in isolation but extended to the whole system of sensorimotor interaction, (2) the synaptic plasticity of the agent is fundamental to sustain open structures in the neural controller of the agent flexibly engaging and disengaging different behavioral patterns that sustain sensorimotor metastable states, and (3) these extended metastable states emerge when the agent generates an asymmetrical circular loop of causal interaction with its environment, in which the agent responds to variability of the environment at fast timescales while acting over the environment at slow timescales, suggesting the constitution of the agent as an autonomous entity actively modulating its sensorimotor coupling with the world. We

  14. Magnetization plateaux in an extended Shastry-Sutherland model

    International Nuclear Information System (INIS)

    Schmidt, Kai Phillip; Dorier, Julien; Mila, Frederic

    2009-01-01

    We study an extended two-dimensional Shastry-Sutherland model in a magnetic field where besides the usual Heisenberg exchanges of the Shastry-Sutherland model two additional SU(2) invariant couplings are included. Perturbative continous unitary transformations are used to determine the leading order effects of the additional couplings on the pure hopping and on the long-range interactions between the triplons which are the most relevant terms for small magnetization. We then compare the energy of various magnetization plateaux in the classical limit and we discuss the implications for the two-dimensional quantum magnet SrCu 2 (BO 3 ) 2 .

  15. Soft Wall Ion Channel in Continuum Representation with Application to Modeling Ion Currents in α-Hemolysin

    Science.gov (United States)

    Simakov, Nikolay A.

    2010-01-01

    A soft repulsion (SR) model of short range interactions between mobile ions and protein atoms is introduced in the framework of continuum representation of the protein and solvent. The Poisson-Nernst-Plank (PNP) theory of ion transport through biological channels is modified to incorporate this soft wall protein model. Two sets of SR parameters are introduced: the first is parameterized for all essential amino acid residues using all atom molecular dynamic simulations; the second is a truncated Lennard – Jones potential. We have further designed an energy based algorithm for the determination of the ion accessible volume, which is appropriate for a particular system discretization. The effects of these models of short-range interaction were tested by computing current-voltage characteristics of the α-hemolysin channel. The introduced SR potentials significantly improve prediction of channel selectivity. In addition, we studied the effect of choice of some space-dependent diffusion coefficient distributions on the predicted current-voltage properties. We conclude that the diffusion coefficient distributions largely affect total currents and have little effect on rectifications, selectivity or reversal potential. The PNP-SR algorithm is implemented in a new efficient parallel Poisson, Poisson-Boltzman and PNP equation solver, also incorporated in a graphical molecular modeling package HARLEM. PMID:21028776

  16. Electron emission during multicharged ion-metal surface interactions

    International Nuclear Information System (INIS)

    Zeijlmans van Emmichoven, P.A.; Havener, C.C.; Hughes, I.G.; Overbury, S.H.; Robinson, M.T.; Zehner, D.M.; Meyer, F.W.

    1992-01-01

    The electron emission during multicharged ion-metal surface interactions will be discussed. The interactions lead to the emission of a significant number of electrons. Most of these electrons have energies below 30 eV. For incident ions with innershell vacancies the emission of Auger electrons that fill these vacancies has been found to occur mainly below the surface. We will present recently measured electron energy distributions which will be used to discuss the mechanisms that lead to the emission of Auger and of low-energy electrons

  17. Plasma-surface interaction in negative hydrogen ion sources

    Science.gov (United States)

    Wada, Motoi

    2018-05-01

    A negative hydrogen ion source delivers more beam current when Cs is introduced to the discharge, but a continuous operation of the source reduces the beam current until more Cs is added to the source. This behavior can be explained by adsorption and ion induced desorption of Cs atoms on the plasma grid surface of the ion source. The interaction between the ion source plasma and the plasma grid surface of a negative hydrogen ion source is discussed in correlation to the Cs consumption of the ion source. The results show that operation with deuterium instead of hydrogen should require more Cs consumption and the presence of medium mass impurities as well as ions of the source wall materials in the arc discharge enlarges the Cs removal rate during an ion source discharge.

  18. Extended causal modeling to assess Partial Directed Coherence in multiple time series with significant instantaneous interactions.

    Science.gov (United States)

    Faes, Luca; Nollo, Giandomenico

    2010-11-01

    The Partial Directed Coherence (PDC) and its generalized formulation (gPDC) are popular tools for investigating, in the frequency domain, the concept of Granger causality among multivariate (MV) time series. PDC and gPDC are formalized in terms of the coefficients of an MV autoregressive (MVAR) model which describes only the lagged effects among the time series and forsakes instantaneous effects. However, instantaneous effects are known to affect linear parametric modeling, and are likely to occur in experimental time series. In this study, we investigate the impact on the assessment of frequency domain causality of excluding instantaneous effects from the model underlying PDC evaluation. Moreover, we propose the utilization of an extended MVAR model including both instantaneous and lagged effects. This model is used to assess PDC either in accordance with the definition of Granger causality when considering only lagged effects (iPDC), or with an extended form of causality, when we consider both instantaneous and lagged effects (ePDC). The approach is first evaluated on three theoretical examples of MVAR processes, which show that the presence of instantaneous correlations may produce misleading profiles of PDC and gPDC, while ePDC and iPDC derived from the extended model provide here a correct interpretation of extended and lagged causality. It is then applied to representative examples of cardiorespiratory and EEG MV time series. They suggest that ePDC and iPDC are better interpretable than PDC and gPDC in terms of the known cardiovascular and neural physiologies.

  19. Twisted-Light-Ion Interaction: The Role of Longitudinal Fields

    Science.gov (United States)

    Quinteiro, G. F.; Schmidt-Kaler, Ferdinand; Schmiegelow, Christian T.

    2017-12-01

    The propagation of light beams is well described using the paraxial approximation, where field components along the propagation direction are usually neglected. For strongly inhomogeneous or shaped light fields, however, this approximation may fail, leading to intriguing variations of the light-matter interaction. This is the case of twisted light having opposite orbital and spin angular momenta. We compare experimental data for the excitation of a quadrupole transition in a single trapped 40Ca+ ion from Schmiegelow et al. [Nat. Commun. 7, 12998 (2016), 10.1038/ncomms12998] with a complete model where longitudinal components of the electric field are taken into account. Our model matches the experimental data and excludes by 11 standard deviations the approximation of a complete transverse field. This demonstrates the relevance of all field components for the interaction of twisted light with matter.

  20. Clues From Pluto's Ions

    Science.gov (United States)

    Kohler, Susanna

    2016-05-01

    Nearly a year ago, in July 2015, the New Horizons spacecraft passed by the Pluto system. The wealth of data amassed from that flyby is still being analyzed including data from the Solar Wind Around Pluto (SWAP) instrument. Recent examination of this data has revealedinteresting new information about Plutos atmosphere and how the solar wind interacts with it.A Heavy Ion TailThe solar wind is a constant stream of charged particles released by the Sun at speeds of around 400 km/s (thats 1 million mph!). This wind travels out to the far reaches of the solar system, interacting with the bodies it encounters along the way.By modeling the SWAP detections, the authors determine the directions of the IMF that could produce the heavy ions detected. Red pixels represent IMF directions permitted. No possible IMF could reproduce the detections if the ions are nitrogen (bottom panels), and only retrograde IMF directions can produce the detections if the ions are methane. [Adapted from Zirnstein et al. 2016]New Horizons data has revealed that Plutos atmosphere leaks neutral nitrogen, methane, and carbon monoxide molecules that sometimes escape its weak gravitational pull. These molecules become ionized and are subsequently picked up by the passing solar wind, forming a tail of heavy ions behind Pluto. The details of the geometry and composition of this tail, however, had not yet been determined.Escaping MethaneIn a recent study led by Eric Zirnstein (Southwest Research Institute), the latest analysis of data from the SWAP instrument on board New Horizons is reported. The team used SWAPs ion detections from just after New Horizons closest approach to Pluto to better understand how the heavy ions around Pluto behave, and how the solar wind interacts with Plutos atmosphere.In the process of analyzing the SWAP data, Zirnstein and collaborators first establish what the majority of the heavy ions picked up by the solar wind are. Models of the SWAP detections indicate they are unlikely

  1. Electro-osmosis over inhomogeneously charged surfaces in presence of non-electrostatic ion-ion interactions

    Science.gov (United States)

    Ghosh, Uddipta; Chakraborty, Suman

    2016-06-01

    In this study, we attempt to bring out a generalized formulation for electro-osmotic flows over inhomogeneously charged surfaces in presence of non-electrostatic ion-ion interactions. To this end, we start with modified electro-chemical potential of the individual species and subsequently use it to derive modified Nernst-Planck equation accounting for the ionic fluxes generated because of the presence of non-electrostatic potential. We establish what we refer to as the Poisson-Helmholtz-Nernst-Planck equations, coupled with the Navier-Stokes equations, to describe the complete transport process. Our analysis shows that the presence of non-electrostatic interactions between the ions results in an excess body force on the fluid, and modifies the osmotic pressure as well, which has hitherto remained unexplored. We further apply our analysis to a simple geometry, in an effort to work out the Smoluchowski slip velocity for thin electrical double layer limits. To this end, we employ singular perturbation and develop a general framework for the asymptotic analysis. Our calculations reveal that the final expression for slip velocity remains the same as that without accounting for non-electrostatic interactions. However, the presence of non-electrostatic interactions along with ion specificity can significantly change the quantitative behavior of Smoluchowski slip velocity. We subsequently demonstrate that the presence of non-electrostatic interactions may significantly alter the effective interfacial potential, also termed as the "Zeta potential." Our analysis can potentially act as a guide towards the prediction and possibly quantitative determination of the implications associated with the existence of non-electrostatic potential, in an electrokinetic transport process.

  2. Modeling of hydrogen interactions with beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Longhurst, G.R. [Lockheed Martin Idaho Technologies Co., Idaho Falls, ID (United States)

    1998-01-01

    In this paper, improved mathematical models are developed for hydrogen interactions with beryllium. This includes the saturation effect observed for high-flux implantation of ions from plasmas and retention of tritium produced from neutronic transmutations in beryllium. Use of the models developed is justified by showing how they can replicated experimental data using the TMAP4 tritium transport code. (author)

  3. Momentum Distribution Functions in a One-Dimensional Extended Periodic Anderson Model

    Directory of Open Access Journals (Sweden)

    I. Hagymási

    2015-01-01

    Full Text Available We study the momentum distribution of the electrons in an extended periodic Anderson model, where the interaction, Ucf, between itinerant and localized electrons is taken into account. In the symmetric half-filled model, due to the increase of the interorbital interaction, the f electrons become more and more delocalized, while the itinerancy of conduction electrons decreases. Above a certain value of Ucf the f electrons become again localized together with the conduction electrons. In the less than half-filled case, we observe that Ucf causes strong correlations between the f electrons in the mixed valence regime.

  4. Study of various models of nuclear interaction potentials: nucleon-nucleus and nucleus-nucleus systems

    International Nuclear Information System (INIS)

    Ngo, H.

    1984-01-01

    Several models, performed within a mean field theory, are developed for the calculation of nucleon-nucleus interaction potentials. The first part of the thesis deals with the nucleon-nucleus average interaction. It is mainly devoted to the calculation of dynamical corrections to the Hartree-Fock approximation. Two approaches are used: a microscopic model performed in the framework of the nuclear structure approach and a semi-phenomenological one, based on the application of the dispersion relations to the empirical imaginary potential. Both models take into account finite size effects like collectivity or threshold effects which are important at low energy. The Green's function properties are used for both models. The second part of this work is devoted to the interaction potential between two heavy ions. This calculation, which is performed in the framework of the sudden approximation, uses the energy density formalism (Thomas-Fermi approximation). It has been extended to finite temperature. At T=0 the experimental fusion barriers of heavy systems are reproduced within 4%. Their temperature dependence is studied. The proximity scaling is checked and a universal function is obtained at T=0 and at finite temperature. It is found that the proximity theorem is well satisfied on the average. The dispersion around the mean behaviour increases with increasing temperature. At last, P+A* and α+A* interaction potentials are calculated within a double folding model using a schematic effective interaction [fr

  5. The fusion of heavy ions in an interaction potential model

    International Nuclear Information System (INIS)

    Zipper, W.

    1980-01-01

    The paper contains the problems connected with fusion processes in heavy ions collision. Results of experimental fusion data for reactions: 9 Be + 12 C, 6 Li + 28 Si, 9 Be + 28 Si, 12 C + 28 Si, 12 C + 16 O and 16 O + 16 O are presented. Comparison of measured fusion cross sections with predictions of the fusion potential model have been made. The validity of this model for both light systems, like 9 Be + 12 C and heavy systems, like 35 Cl + 62 Ni, have been discussed. In conclusion, it should be stated that fusion cross sections could be correctly predicted by the potential model with a potential describing the elastic scattering data. (author)

  6. How decays and final-state interactions affect velocity correlations in heavy-ion collisions

    International Nuclear Information System (INIS)

    Wieand, K.L.; Pratt, S.E.; Balantekin, A.B.

    1992-01-01

    We study rapidity correlations by calculating two-particle correlation functions and fractorial moments for a simple thermal model of ultrarelativistic-heavy-ion collisions. In this model correlations arise from decays of unstable hadrons and the final-state interactions of the measured particles. These correlations are shown to be similar but smaller than correlations due to phase separation. (orig.)

  7. Center for Extended Magnetohydrodynamic Modeling Cooperative Agreement

    International Nuclear Information System (INIS)

    Sovinec, Carl R.

    2008-01-01

    as a success story of SciDAC-fostered collaboration. Furthermore, the SuperLU software does not assume any mathematical symmetry, and its generality provides an important capability for extending the physical model beyond magnetohydrodynamics (MHD). With respect to algorithmic and model development, our most significant accomplishment is the development of a new method for solving plasma models that treat electrons as an independent plasma component. These 'two-fluid' models encompass MHD and add temporal and spatial scales that are beyond the response of the ion species. Implementation and testing of a previously published algorithm did not prove successful for NIMROD, and the new algorithm has since been devised, analyzed, and implemented. Two-fluid modeling, an important objective of the original NIMROD project, is now routine in 2D applications. Algorithmic components for 3D modeling are in place and tested; though, further computational work is still needed for efficiency. Other algorithmic work extends the ion-fluid stress tensor to include models for parallel and gyroviscous stresses. In addition, our hot-particle simulation capability received important refinements that permitted completion of a benchmark with the M3D code. A highlight of our applications work is the edge-localized mode (ELM) modeling, which was part of the first-ever computational Performance Target for the DOE Office of Fusion Energy Science. Our efforts allowed MHD simulations to progress late into the nonlinear stage, where energy is conducted to the wall location. They also produced a two-fluid ELM simulation starting from experimental information and demonstrating critical drift effects that are characteristic of two-fluid physics. Another important application is the internal kink mode in a tokamak. Here, the primary purpose of the study has been to benchmark the two main code development lines of CEMM, NIMROD and M3D, on a relevant nonlinear problem. Results from the two codes show

  8. Extended theory of main ion and impurity rotation and bootstrap current in a shear layer

    International Nuclear Information System (INIS)

    Kim, Y.B.; Hinton, F.L.; St. John, H.; Taylor, T.S.; Wroblewski, D.

    1993-11-01

    In this paper, standard neoclassical theory has been extended into the shear layer. Main ion and impurity ion rotation velocity and bootstrap current within shear layer in H-mode are discussed. Inside the H-mode shear layer, standard neoclassical theory is not valid since the ion poloidal gyroradius becomes comparable to pressure gradient and electric field gradient scale length. To allow for arbitrary ratio of ρθi/L n and ρθi/L Er a new kinetic theory of main ion species within electric field shear layer has been developed with the assumption that ρθi/R o is still small. As a consequence, both impurity flows and bootstrap current have to be modified. We present modified expressions of impurity flows and bootstrap current are presented neglecting ion temperature gradient. Comparisons with DIII-D measurements are also discussed

  9. The interactions of high-energy, highly charged Xe ions with buckyballs

    International Nuclear Information System (INIS)

    Ali, R.; Berry, H.G.; Cheng, S.

    1994-01-01

    Ionization and fragmentation have been measured for C 60 molecules bombarded by highly charged (up to 35+) xenon ions with energies ranging up to 625 MeV. The observed mass distribution of positively charged fragments is explained in terms of a theoretical model indicating that the total interaction cross section contains roughly equal contributions from (a) excitation of the giant plasmon resonance, and (b) large-energy-transfer processes that lead to multiple fragmentation of the molecule. Preliminary results of measurements on VUV photons emitted in these interactions are also presented

  10. Ion thruster performance model

    International Nuclear Information System (INIS)

    Brophy, J.R.

    1984-01-01

    A model of ion thruster performance is developed for high flux density cusped magnetic field thruster designs. This model is formulated in terms of the average energy required to produce an ion in the discharge chamber plasma and the fraction of these ions that are extracted to form the beam. The direct loss of high energy (primary) electrons from the plasma to the anode is shown to have a major effect on thruster performance. The model provides simple algebraic equations enabling one to calculate the beam ion energy cost, the average discharge chamber plasma ion energy cost, the primary electron density, the primary-to-Maxwellian electron density ratio and the Maxwellian electron temperature. Experiments indicate that the model correctly predicts the variation in plasma ion energy cost for changes in propellant gas (Ar, Kr, and Xe), grid transparency to neutral atoms, beam extraction area, discharge voltage, and discharge chamber wall temperature

  11. Ion-atom interactions probed by photofragment spectroscopy

    International Nuclear Information System (INIS)

    Helm, H.

    1984-01-01

    Photofragment spectroscopy studies energetic and dynamical properties of molecular states interacting with dissociation continuum. So far, data for eighteen diatomic molecular ions have been gathered by this technique. This paper is a review of these investigations, introduced by a discussion of the experimental methods used. The wealth of information accessible by ion photofragment spectroscopy challenges the experimentalist in the application of innovative techniques and the theoretician for less approximate accounts of the Hamiltonian. (Auth.)

  12. Cubic interaction in extended theories of massless higher-spin fields

    Energy Technology Data Exchange (ETDEWEB)

    Fradkin, E S; Vasiliev, M A

    1987-08-17

    A cubic interaction of all massless higher-spin fields with s greater than or equal to 1 is constructed, based on the extended higher-spin superalgebras suggested previously by one of us (M.V.). This interaction incorporates gravitational and Yang-Mills interactions of massless higher-spin fields, which turn out to be consistent in the cubic order. An essential novel feature of the gravitational higher-spin interaction is its non-analyticity in the cosmological constant. An explicit form is found for deformed higher-spin gauge transformations leaving the action invariant.

  13. 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.

  14. Proton-ion collisions: behind the scenes of an exotic interaction

    CERN Multimedia

    Antonella Del Rosso

    2012-01-01

    Protons to the right, ions to the left: the basic principle of proton-ion collisions at the LHC might seem straightforward. However, this is an almost unprecedented mode of collider operation, certainly unique at the energy provided by the LHC. In addition to being a remarkable technical achievement, this interaction between a proton and an ion can potentially contribute a lot to the understanding of the properties of matter in its primordial state.   Prior to last week, the LHC had only collided protons with protons and lead ions with lead ions. These were indeed the two operational schemes the LHC was designed for. However, since science can often evolve in directions that were not necessarily expected at the beginning of a project, over the years the scientific community has become more and more interested in the hybrid type of interaction – that between protons and ions. Last week’s collisions were only a test for the teams involved in the operation of the LHC, in prepara...

  15. An orientation sensitive approach in biomolecule interaction quantitative structure-activity relationship modeling and its application in ion-exchange chromatography.

    Science.gov (United States)

    Kittelmann, Jörg; Lang, Katharina M H; Ottens, Marcel; Hubbuch, Jürgen

    2017-01-27

    Quantitative structure-activity relationship (QSAR) modeling for prediction of biomolecule parameters has become an established technique in chromatographic purification process design. Unfortunately available descriptor sets fail to describe the orientation of biomolecules and the effects of ionic strength in the mobile phase on the interaction with the stationary phase. The literature describes several special descriptors used for chromatographic retention modeling, all of these do not describe the screening of electrostatic potential by the mobile phase in use. In this work we introduce two new approaches of descriptor calculations, namely surface patches and plane projection, which capture an oriented binding to charged surfaces and steric hindrance of the interaction with chromatographic ligands with regard to electrostatic potential screening by mobile phase ions. We present the use of the developed descriptor sets for predictive modeling of Langmuir isotherms for proteins at different pH values between pH 5 and 10 and varying ionic strength in the range of 10-100mM. The resulting model has a high correlation of calculated descriptors and experimental results, with a coefficient of determination of 0.82 and a predictive coefficient of determination of 0.92 for unknown molecular structures and conditions. The agreement of calculated molecular interaction orientations with both, experimental results as well as molecular dynamic simulations from literature is shown. The developed descriptors provide the means for improved QSAR models of chromatographic processes, as they reflect the complex interactions of biomolecules with chromatographic phases. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Measurement of distance parameter using semiclassical model in various heavy ion interactions

    Energy Technology Data Exchange (ETDEWEB)

    Nasir, Tabassum [Department of Physics, Gomal University D.I. Khan (Pakistan); Khan, E U [Department of Physics, CIIT, Islamabad (Pakistan); Baluch, J J [Department of Environmental Sciences, CIIT, Abbottabad (Pakistan); Qureshi, I E [Pakistan Atomic Energy Commission, P.O. Box 1114, Islamabad (Pakistan); Sajid, M; Shahzad, M I; Khan, H A [Physics Research Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)

    2008-08-15

    The technique of solid state nuclear track detection was employed to collect data of elastic scattering as well as inelastic reaction channel. The elastic data of the reactions {sup 238}U+{sup 209}Bi, {sup 238}U+{sup 197}Au, {sup 208}Pb+{sup 197}Au and {sup 197}Au+{sup 197}Au were used to calculate the experimental elastic scattering cross-sections for various angular bins. The ratio of these cross-sections to Rutherford/Mott cross-sections were plotted with respect to distance d({theta}). Distance parameter d{sub 0} in all four reactions was obtained from the discontinuity of the slope following the method suggested in the semiclassical model. Partial reaction cross-sections were also obtained from the inelastic binary as well as multiprong events in the heavy ion interactions of {sup 208}Pb+{sup 197}Au and {sup 197}Au+{sup 197}Au both at 11.67 MeV/u beam energy. The higher values of partial cross-sections of two prong inelastic events as compared with {sigma}{sub 3} and {sigma}{sub 4} have been attributed to the emission of intermediate mass fragments in both the reactions.

  17. Computer simulation of the interaction between an extended dislocation and radiation defects in the fcc lattice

    International Nuclear Information System (INIS)

    Kuramoto, E.; Nakamura, Y.; Tsutsumi, T.

    1993-01-01

    The interaction between an extended dislocation and a radiation-induced defect, especially, a self-interstitial atom (SIA), has been investigated in the model fcc lattice by computer simulation technique. An SIA was absorbed into the core of one of the two partial dislocations of the extended screw dislocation as a crowdion which extends along the dislocation line. Under the applied shear stress this crowdion acted as a pinning point, resulting in irradiation hardening. On the other hand, an SIA was absorbed at the jog site of the extended edge dislocation (at one of the two jog sites on two partial dislocations) and after some relaxation the total jog was shifted to one atomic distance through the spreading out of the strain due to an SIA from one partial side to the other side. (orig.)

  18. Solvent effects on ion-receptor interactions in the presence of an external electric field.

    Science.gov (United States)

    Novák, Martin; Foroutan-Nejad, Cina; Marek, Radek

    2016-11-09

    In this work we investigated the influence of an external electric field on the arrangement of the solvent shells around ions interacting with a carbon-based receptor. Our survey reveals that the mechanism of interaction between a monoatomic ion and a π-type ion receptor varies by the variation in the solvent polarity, the nature of the ion, and the strength of the external field. The characteristics of the ion-surface interaction in nonpolar solvents are similar to those observed in a vacuum. However, in water, we identified two mechanisms. Soft and polarizable ions preferentially interact with the π-receptor. In contrast, two bonded states were found for hard ions. A fully solvated ion, weakly interacting with the receptor at weak field, and a strong π-complex at the strong-field regime were identified. An abrupt variation in the potential energy surface (PES) associated with the rearrangement of the solvation shell on the surface of the receptor induced by an external field was observed both in implicit and explicit solvent environments. The electric field at which the solvation shell breaks is proportional to the hardness of the ion as has been suggested recently based on experimental observations.

  19. Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry’s Law Constants for Ions and Gas Phase pKa Values for Acidic Compounds

    Science.gov (United States)

    The SPARC (SPARC Performs Automated Reasoning in Chemistry) physicochemical mechanistic models for neutral compounds have been extended to estimate Henry’s Law Constant (HLC) for charged species by incorporating ionic electrostatic interaction models. Combinations of absolute aq...

  20. Error analysis and prevention of cosmic ion-induced soft errors in static CMOS RAMS

    International Nuclear Information System (INIS)

    Diehl, S.E.; Ochoa, A. Jr.; Dressendorfer, P.V.; Koga, R.; Kolasinski, W.A.

    1982-06-01

    Cosmic ray interactions with memory cells are known to cause temporary, random, bit errors in some designs. The sensitivity of polysilicon gate CMOS static RAM designs to logic upset by impinging ions has been studied using computer simulations and experimental heavy ion bombardment. Results of the simulations are confirmed by experimental upset cross-section data. Analytical models have been extended to determine and evaluate design modifications which reduce memory cell sensitivity to cosmic ions. A simple design modification, the addition of decoupling resistance in the feedback path, is shown to produce static RAMs immune to cosmic ray-induced bit errors

  1. Model Predictive Control for Linear Complementarity and Extended Linear Complementarity Systems

    Directory of Open Access Journals (Sweden)

    Bambang Riyanto

    2005-11-01

    Full Text Available In this paper, we propose model predictive control method for linear complementarity and extended linear complementarity systems by formulating optimization along prediction horizon as mixed integer quadratic program. Such systems contain interaction between continuous dynamics and discrete event systems, and therefore, can be categorized as hybrid systems. As linear complementarity and extended linear complementarity systems finds applications in different research areas, such as impact mechanical systems, traffic control and process control, this work will contribute to the development of control design method for those areas as well, as shown by three given examples.

  2. Magnetic behavior of Van Vleck ions and an electron gas interacting by exchange

    International Nuclear Information System (INIS)

    Palermo, L.; Silva, X.A. da.

    1980-01-01

    The magnetic behavior of a model in which Van Vleck ions, under the action of a crystal field, interacting by exchange with an electron gas is investigated. The condition of onset of ferromagnetism and the behavior of the critical temperature, band and ionic magnetizations (and susceptibilities) versus temperature, as a function of the band width, exchange interaction and the crystal field splitting energy parameters are obtained within an approximation equivalent to a molecular field formulation. (Author) [pt

  3. Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yanyan; Su, Mao; Yu, Xiaofei; Zhou, Yufan; Wang, Jungang; Cao, Ruiguo; Xu, Wu; Wang, Chongmin; Baer, Donald R.; Borodin, Oleg; Xu, Kang; Wang, Yanting; Wang, Xue-Lin; Xu, Zhijie; Wang, Fuyi; Zhu, Zihua

    2018-02-06

    Ion-solvent interactions in non-aqueous electrolytes are of fundamental interest and practical importance, yet debates regarding ion preferential solvation and coordination numbers persist. In this work, in situ liquid SIMS was used to examine ion-solvent interactions in three representative electrolytes, i.e., lithium hexafluorophosphate (LiPF6) at 1.0 M in ethylene carbonate (EC)-dimethyl carbonate (DMC), and lithium bis(fluorosulfonyl)imide (LiFSI) at both low (1.0 M) and high (4.0 M) concentrations in 1,2-dimethoxyethane (DME). In the positive ion mode, solid molecular evidence strongly supports the preferential solvation of Li+ by EC. Besides, from the negative spectra, we also found that PF6- forms association with EC, which has been neglected by previous studies due to the relatively weak interaction. While in both LiFSI in DME electrolytes, no evidence shows that FSI- is associated with DME. Furthermore, strong salt ion cluster signals were observed in the 1.0 M LiPF6 in EC-DMC electrolyte, suggesting that a significant amount of Li+ ions stay in vicinity of anions. In sharp comparison, weak ion cluster signals were detected in dilute LiFSI in DME electrolyte, suggesting most ions are well separated, in agreement with our molecular dynamics (MD) simulation results. These findings indicate that with virtues of little bias on detecting positive and negative ions and the capability of directly analyzing concentrated electrolytes, in situ liquid SIMS is a powerful tool that can provide key evidence for improved understanding on the ion-solvent interactions in non-aqueous electrolytes. Therefore, we anticipate wide applications of in situ liquid SIMS on investigations of various ion-solvent interactions in the near future.

  4. Effect and interactions of commercial additives and chloride ion in copper electrowinning

    Science.gov (United States)

    Cui, Wenyuan

    This thesis is to understand and compare the effects and interactions of modified polysaccharide (HydroStar), polyacrylamide (Cyquest N-900) and chloride ion on copper electrowinning. A study of the nucleation and growth was conducted in a synthetic electrolyte (40 g/L Cu, 160 g/L H2SO 4, 20 mg/L Cl-) with the addition of HydroStar or Cyquest N-900 using potential step measurements. The current responses generated were compared to theoretical models of nucleation and growth mechanisms. The nucleation and growth mechanism changed as function of potential and the presence of organic additives. The nucleation and growth mechanisms were confirmed using scanning electron microscopy (SEM). At low overpotentials, electrodeposition from the electrolyte without additives proceeded by progressive nucleation with three-dimensional (3-D) growth. The addition of HydroStar produced smaller nuclei and changed the mechanism to progressive nucleation and 2-D growth. Cyquest N-900 used there appeared to be progressive nucleation with 2-D growth and polarize the cathodes. In addition, instantaneous nucleation under diffusion control occurred at high overpotentials. Chloride ion and its interaction with HydroStar and Cyquest N-900 were further characterized by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The trends observed from Nyquist plots and equivalent circuit models were consistent with the CV results. Chloride, on its own, depolarized copper electrodeposition, while chloride ion associated with Cyquest N-900 inhibited the reaction. It is proposed that Cl- acted as a bridging ligand between copper and Cyquest N-900. The addition of HydroStar depolarized copper deposition, but it did not interact with.

  5. Lithium Ion Batteries—Development of Advanced Electrical Equivalent Circuit Models for Nickel Manganese Cobalt Lithium-Ion

    Directory of Open Access Journals (Sweden)

    Alexandros Nikolian

    2016-05-01

    Full Text Available In this paper, advanced equivalent circuit models (ECMs were developed to model large format and high energy nickel manganese cobalt (NMC lithium-ion 20 Ah battery cells. Different temperatures conditions, cell characterization test (Normal and Advanced Tests, ECM topologies (1st and 2nd Order Thévenin model, state of charge (SoC estimation techniques (Coulomb counting and extended Kalman filtering and validation profiles (dynamic discharge pulse test (DDPT and world harmonized light vehicle profiles have been incorporated in the analysis. A concise state-of-the-art of different lithium-ion battery models existing in the academia and industry is presented providing information about model classification and information about electrical models. Moreover, an overview of the different steps and information needed to be able to create an ECM model is provided. A comparison between begin of life (BoL and aged (95%, 90% state of health ECM parameters (internal resistance (Ro, polarization resistance (Rp, activation resistance (Rp2 and time constants (τ is presented. By comparing the BoL to the aged parameters an overview of the behavior of the parameters is introduced and provides the appropriate platform for future research in electrical modeling of battery cells covering the ageing aspect. Based on the BoL parameters 1st and 2nd order models were developed for a range of temperatures (15 °C, 25 °C, 35 °C, 45 °C. The highest impact to the accuracy of the model (validation results is the temperature condition that the model was developed. The 1st and 2nd order Thévenin models and the change from normal to advanced characterization datasets, while they affect the accuracy of the model they mostly help in dealing with high and low SoC linearity problems. The 2nd order Thévenin model with advanced characterization parameters and extended Kalman filtering SoC estimation technique is the most efficient and dynamically correct ECM model developed.

  6. Slow, target associated particles produced in ultrarelativistic heavy-ion interactions

    Energy Technology Data Exchange (ETDEWEB)

    Adamovich, M I; Aggarwal, M M; Alexandrov, Y A; Andreeva, N P; Anson, Z V; Arora, R; Avetyan, F A; Badyal, S K; Basova, E; Bhalla, K B; Bhasin, A; Bhatia, V S; Bogdanov, V G; Bubnov, V I; Burnett, T H; Cai, X; Chasnikov, I Y; Chernova, L P; Chernyavsky, M M; Dressel, B; Eligbaeva, G Z; Eremenko, L E; Friedlander, E M; Gaitinov, A S; Ganssauge, E R; Garpman, S; Gerassimov, S G; Grote, J; Gulamov, K G; Gupta, S K; Gupta, V; Heckman, H H; Huang, H; Jakobsson, B; Judek, B; Kachroo, S; Kadyrov, F G; Kalyachkina, G S; Kanygina, E K; Karabova, M; Kaul, G L; Kaur, M; Kharlamov, S P; Koss, Y; Krasnov,; Kumar,; Lal, P; Larionova,; Lepetan,; Lindstrom,; Liu,; Lokanathan, S; Lord, J; Lukicheva, N S; Luo, S B; Mangotra, L K; Marutyan,; Maslennikova, N V; Mittra, I S; Mookerjee, S; Mueller, C; Nasrulaeva, H; Nasyrov, S H; Navotny, V S; Orlova, G I; Otterlund, I; Palsania, H S; Peresadko, N G; Petrov, N V; Plyushchev, V A; Qian, W Y; Raniwala,; EMU01 Collaboration

    1991-06-20

    The slow, target associated particles produced in ultrarelativistic heavy-ion interactions are a quantitative probe of the cascading processes in the spectator parts of the target nucleus. These processes are directly influenced by the proper timescale for the formation of hadronic matter. In this letter we show experimental data on singly and multiply charged particles, with velocities smaller than 0.7c, produced in ultrarelativistic heavy-ion interactions in nuclear emulsion. (orig.).

  7. Dose-rate and temperature dependent statistical damage accumulation model for ion implantation into silicon

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez-Mangas, J.M. [Dpto. de Electricidad y Electronica, Universidad de Valladolid, ETSI Telecomunicaciones, Campus Miguel Delibes, Valladolid E-47011 (Spain)]. E-mail: jesus.hernandez.mangas@tel.uva.es; Arias, J. [Dpto. de Electricidad y Electronica, Universidad de Valladolid, ETSI Telecomunicaciones, Campus Miguel Delibes, Valladolid E-47011 (Spain); Marques, L.A. [Dpto. de Electricidad y Electronica, Universidad de Valladolid, ETSI Telecomunicaciones, Campus Miguel Delibes, Valladolid E-47011 (Spain); Ruiz-Bueno, A. [Dpto. de Electricidad y Electronica, Universidad de Valladolid, ETSI Telecomunicaciones, Campus Miguel Delibes, Valladolid E-47011 (Spain); Bailon, L. [Dpto. de Electricidad y Electronica, Universidad de Valladolid, ETSI Telecomunicaciones, Campus Miguel Delibes, Valladolid E-47011 (Spain)

    2005-01-01

    Currently there are extensive atomistic studies that model some characteristics of the damage buildup due to ion irradiation (e.g. L. Pelaz et al., Appl. Phys. Lett. 82 (2003) 2038-2040). Our interest is to develop a novel statistical damage buildup model for our BCA ion implant simulator (IIS) code in order to extend its ranges of applicability. The model takes into account the abrupt regime of the crystal-amorphous transition. It works with different temperatures and dose-rates and also models the transition temperature. We have tested it with some projectiles (Ge, P) implanted into silicon. In this work we describe the new statistical damage accumulation model based on the modified Kinchin-Pease model. The results obtained have been compared with existing experimental results.

  8. Dose-rate and temperature dependent statistical damage accumulation model for ion implantation into silicon

    International Nuclear Information System (INIS)

    Hernandez-Mangas, J.M.; Arias, J.; Marques, L.A.; Ruiz-Bueno, A.; Bailon, L.

    2005-01-01

    Currently there are extensive atomistic studies that model some characteristics of the damage buildup due to ion irradiation (e.g. L. Pelaz et al., Appl. Phys. Lett. 82 (2003) 2038-2040). Our interest is to develop a novel statistical damage buildup model for our BCA ion implant simulator (IIS) code in order to extend its ranges of applicability. The model takes into account the abrupt regime of the crystal-amorphous transition. It works with different temperatures and dose-rates and also models the transition temperature. We have tested it with some projectiles (Ge, P) implanted into silicon. In this work we describe the new statistical damage accumulation model based on the modified Kinchin-Pease model. The results obtained have been compared with existing experimental results

  9. Study of the effect of heavy ion energy on the sensitivity of electronic devices

    International Nuclear Information System (INIS)

    Raine, M.

    2011-01-01

    This thesis studies the sensitivity of advanced electronic devices in radiative environments. The work deals with the detailed modeling of the deposited energy induced by heavy-ion in matter, and the influence of taking it into account in the tools simulating the response of irradiated devices. To do so, a simulation chain was developed, combining different calculation codes at various scales. In a first step, the particle-matter interaction code Geant4 is used to model the heavy ion track. These tracks are then implemented in a TCAD simulator, in order to study the response of elementary transistors to these detailed energy deposits. This step is completed with experimental measurements. Finally, the study is extended to the circuit level, by interfacing the heavy ion tracks with a SEE prediction tool. These different steps evidence the need for taking into account the radial extension of the ion track to all simulation levels, to adequately model the response of advanced devices under heavy ion irradiations. (author) [fr

  10. Generalized Selectivity Description for Polymeric Ion-Selective Electrodes Based on the Phase Boundary Potential Model.

    Science.gov (United States)

    Bakker, Eric

    2010-02-15

    A generalized description of the response behavior of potentiometric polymer membrane ion-selective electrodes is presented on the basis of ion-exchange equilibrium considerations at the sample-membrane interface. This paper includes and extends on previously reported theoretical advances in a more compact yet more comprehensive form. Specifically, the phase boundary potential model is used to derive the origin of the Nernstian response behavior in a single expression, which is valid for a membrane containing any charge type and complex stoichiometry of ionophore and ion-exchanger. This forms the basis for a generalized expression of the selectivity coefficient, which may be used for the selectivity optimization of ion-selective membranes containing electrically charged and neutral ionophores of any desired stoichiometry. It is shown to reduce to expressions published previously for specialized cases, and may be effectively applied to problems relevant in modern potentiometry. The treatment is extended to mixed ion solutions, offering a comprehensive yet formally compact derivation of the response behavior of ion-selective electrodes to a mixture of ions of any desired charge. It is compared to predictions by the less accurate Nicolsky-Eisenman equation. The influence of ion fluxes or any form of electrochemical excitation is not considered here, but may be readily incorporated if an ion-exchange equilibrium at the interface may be assumed in these cases.

  11. Oblique Interaction of Dust-ion Acoustic Solitons with Superthermal Electrons in a Magnetized Plasma

    Science.gov (United States)

    Parveen, Shahida; Mahmood, Shahzad; Adnan, Muhammad; Qamar, Anisa

    2018-01-01

    The oblique interaction between two dust-ion acoustic (DIA) solitons travelling in the opposite direction, in a collisionless magnetized plasma composed of dynamic ions, static dust (positive/negative) charged particles and interialess kappa distributed electrons is investigated. By employing extended Poincaré-Lighthill-Kuo (PLK) method, Korteweg-de Vries (KdV) equations are derived for the right and left moving low amplitude DIA solitons. Their trajectories and corresponding phase shifts before and after their interaction are also obtained. It is found that in negatively charged dusty plasma above the critical dust charged to ion density ratio the positive polarity pulse is formed, while below the critical dust charged density ratio the negative polarity pulse of DIA soliton exist. However it is found that only positive polarity pulse of DIA solitons exist for the positively charged dust particles case in a magnetized nonthermal plasma. The nonlinearity coefficient in the KdV equation vanishes for the negatively charged dusty plasma case for a particular set of parameters. Therefore, at critical plasma density composition for negatively charged dust particles case, the modified Korteweg-de Vries (mKdV) equations having cubic nonlinearity coefficient of the DIA solitons, and their corresponding phase shifts are derived for the left and right moving solitons. The effects of the system parameters including the obliqueness of solitons propagation with respect to magnetic field direction, superthermality of electrons and concentration of positively/negatively static dust charged particles on the phase shifts of the colliding solitons are also discussed and presented numerically. The results are applicable to space magnetized dusty plasma regimes.

  12. Towards a Game-Chatbot: Extending the Interaction in Serious Games

    NARCIS (Netherlands)

    Van Rosmalen, Peter; Eikelboom, Johan; Bloemers, Erik; Van Winzum, Kees; Spronck, Pieter

    2012-01-01

    Van Rosmalen, P., Eikelboom, J., Bloemers, E., Van Winzum, K., & Spronck, P. (2012, 4-5 October). Towards a Game-Chatbot: Extending the Interaction in Serious Games. Presentation at the 6th European Conference on Games Based Learning, Cork, Ireland.

  13. COMPLEX OF NUMERICAL MODELS FOR COMPUTATION OF AIR ION CONCENTRATION IN PREMISES

    Directory of Open Access Journals (Sweden)

    M. M. Biliaiev

    2016-04-01

    Full Text Available Purpose. The article highlights the question about creation the complex numerical models in order to calculate the ions concentration fields in premises of various purpose and in work areas. Developed complex should take into account the main physical factors influencing the formation of the concentration field of ions, that is, aerodynamics of air jets in the room, presence of furniture, equipment, placement of ventilation holes, ventilation mode, location of ionization sources, transfer of ions under the electric field effect, other factors, determining the intensity and shape of the field of concentration of ions. In addition, complex of numerical models has to ensure conducting of the express calculation of the ions concentration in the premises, allowing quick sorting of possible variants and enabling «enlarged» evaluation of air ions concentration in the premises. Methodology. The complex numerical models to calculate air ion regime in the premises is developed. CFD numerical model is based on the use of aerodynamics, electrostatics and mass transfer equations, and takes into account the effect of air flows caused by the ventilation operation, diffusion, electric field effects, as well as the interaction of different polarities ions with each other and with the dust particles. The proposed balance model for computation of air ion regime indoors allows operative calculating the ions concentration field considering pulsed operation of the ionizer. Findings. The calculated data are received, on the basis of which one can estimate the ions concentration anywhere in the premises with artificial air ionization. An example of calculating the negative ions concentration on the basis of the CFD numerical model in the premises with reengineering transformations is given. On the basis of the developed balance model the air ions concentration in the room volume was calculated. Originality. Results of the air ion regime computation in premise, which

  14. Ion-neutral potential models in atmospheric pressure ion mobility time-of-flight mass spectrometry IM(tof)MS.

    Science.gov (United States)

    Steiner, Wes E; English, William A; Hill, Herbert H

    2006-02-09

    The ion mobilities and their respective masses of several classes of amines (primary, secondary, and tertiary) were measured by electrospray ionization atmospheric pressure ion mobility time-of-flight mass spectrometry IM(tof)MS. The experimental data obtained were comparatively analyzed by the one-temperature kinetic theory of Chapman-Enskog. Several theoretical models were used to estimate the collision cross-sections; they include the rigid-sphere, polarization-limit, 12-6-4, and 12-4 potential models. These models were investigated to represent the interaction potentials contained within the collision integral that occurs between the polyatomic ions and the neutral drift gas molecules. The effectiveness of these collision cross-section models on predicting the mobility of these amine ions was explored. Moreover, the effects of drift gas selectivity on the reduced-mass term and in the collision cross-section term was examined. Use of a series of drift gases, namely, helium, neon, argon, nitrogen, and carbon dioxide, made it possible to distinguish between mass effects and polarizability effects. It was found that the modified 12-4 potential that compensates for the center of charge not being at the same location as the centers of mass showed improved agreement over the other collision cross-section models with respect to experimental data.

  15. Multi-shell model of ion-induced nucleic acid condensation

    Energy Technology Data Exchange (ETDEWEB)

    Tolokh, Igor S. [Department of Computer Science, Virginia Tech, Blacksburg, Virginia 24061 (United States); Drozdetski, Aleksander V. [Department of Physics, Virginia Tech, Blacksburg, Virginia 24061 (United States); Pollack, Lois [School of Applied and Engineering Physics, Cornell University, Ithaca, New York 14853-3501 (United States); Baker, Nathan A. [Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912 (United States); Onufriev, Alexey V. [Department of Computer Science, Virginia Tech, Blacksburg, Virginia 24061 (United States); Department of Physics, Virginia Tech, Blacksburg, Virginia 24061 (United States)

    2016-04-21

    We present a semi-quantitative model of condensation of short nucleic acid (NA) duplexes induced by trivalent cobalt(III) hexammine (CoHex) ions. The model is based on partitioning of bound counterion distribution around single NA duplex into “external” and “internal” ion binding shells distinguished by the proximity to duplex helical axis. In the aggregated phase the shells overlap, which leads to significantly increased attraction of CoHex ions in these overlaps with the neighboring duplexes. The duplex aggregation free energy is decomposed into attractive and repulsive components in such a way that they can be represented by simple analytical expressions with parameters derived from molecular dynamic simulations and numerical solutions of Poisson equation. The attractive term depends on the fractions of bound ions in the overlapping shells and affinity of CoHex to the “external” shell of nearly neutralized duplex. The repulsive components of the free energy are duplex configurational entropy loss upon the aggregation and the electrostatic repulsion of the duplexes that remains after neutralization by bound CoHex ions. The estimates of the aggregation free energy are consistent with the experimental range of NA duplex condensation propensities, including the unusually poor condensation of RNA structures and subtle sequence effects upon DNA condensation. The model predicts that, in contrast to DNA, RNA duplexes may condense into tighter packed aggregates with a higher degree of duplex neutralization. An appreciable CoHex mediated RNA-RNA attraction requires closer inter-duplex separation to engage CoHex ions (bound mostly in the “internal” shell of RNA) into short-range attractive interactions. The model also predicts that longer NA fragments will condense more readily than shorter ones. The ability of this model to explain experimentally observed trends in NA condensation lends support to proposed NA condensation picture based on the multivalent “ion

  16. Thermal stability and modeling of lithium ion batteries

    Science.gov (United States)

    Botte, Gerardine Gabriela

    2000-10-01

    First-principles mathematical models were developed to examine the effect of the lithium-lithium ion interactions inside the anode particles on the performance of a lithium foil cell. Two different models were developed: the chemical potential model (CPM) that includes the lithium-lithium ion interactions inside the anode particles and the diffusion model (DIM) that does not include the interactions. Significant differences in the thermal and electrochemical performance of the cell were observed between the two approaches. The temperature of the cell predicted by the DFM is higher than the one predicted by the CPM at a given capacity. The discharge time of the cell predicted by the DFM is shorter than the one predicted by the CPM. The results indicate that the cell needs to be modeled using the CPM approach especially at high discharge rates. An evaluation of the numerical techniques, control volume formulation (CVF) and finite difference method (FDM), used for the models was performed. It is shown that the truncation error is the same for both methods when the boundary conditions are of the Dirichlet type, the system of equations are linear and represented in Cartesian coordinates. A new technique to analyze the accuracy of the methods is presented. The only disadvantage of the FDM is that it failed to conserve mass for a small number of nodes when both boundary conditions include a derivative term whereas the CVF did conserve mass for these cases. However, for a large number of nodes the FDM provides mass conservation. It is important to note that the CVF has only (DeltaX) order of accuracy for a Neumann type boundary condition whereas the FDM has (DeltaX) 2 order. The second topic of this dissertation presents a study of the thermal stability of LiPF6 EC:EMC electrolyte for lithium ion batteries. A differential scanning calorimeter (DSC) was used to perform the study of the electrolyte. For first time, the effect of different variables on its thermal stability

  17. Electrom emission from slow highly charged ions interacting with a metal surface

    International Nuclear Information System (INIS)

    Aumayr, F.; Kurz, H.; Toeglhofer, K.; Winter, H.

    1992-01-01

    Recent progress in investigating electron emission from slow highly charged ions approaching a metal surface is discussed. In particular, new informations on generation and decay of transient multiply excited ''hollow atoms'' developing during these processes have been gained from measurement of the statistics of emitted electrons (ES). ES and precise total electron yields derived from the former have been measured for normal incidence of slow (impact velocity 1/15.10 4 ms -1 ) multicharged ions N q+ (q≤6), Ne q+ (q≤10), Ar q+ (q≤16), Kr q+ (q≤10), Xe q+ (q≤10) and I q+ (q≤25) on clean polycrystalline gold. A classical over-barrier approach as recently introduced by Burgdoerfer et al. 1991 has been extended and successfully applied to model the measured impact-velocity dependences of total electron yields. In this way contributions from different electron emission mechanisms could be identified. (orig.)

  18. Removal of Cr(III ions from salt solution by nanofiltration: experimental and modelling analysis

    Directory of Open Access Journals (Sweden)

    Kowalik-Klimczak Anna

    2016-09-01

    Full Text Available The aim of this study was experimental and modelling analysis of the nanofiltration process used for the removal of chromium(III ions from salt solution characterized by low pH. The experimental results were interpreted with Donnan and Steric Partitioning Pore (DSP model based on the extended Nernst-Planck equation. In this model, one of the main parameters, describing retention of ions by the membrane, is pore dielectric constant. In this work, it was identified for various process pressures and feed compositions. The obtained results showed the satisfactory agreement between the experimental and modelling data. It means that the DSP model may be helpful for the monitoring of nanofiltration process applied for treatment of chromium tannery wastewater.

  19. Accelerator-Based Studies of Heavy Ion Interactions Relevant to Space Biomedicine

    Science.gov (United States)

    Miller, J.; Heilbronn, L.; Zeitlin, C.

    1999-01-01

    Evaluation of the effects of space radiation on the crews of long duration space missions must take into account the interactions of high energy atomic nuclei in spacecraft and planetary habitat shielding and in the bodies of the astronauts. These heavy ions (i.e. heavier than hydrogen), while relatively small in number compared to the total galactic cosmic ray (GCR) charged particle flux, can produce disproportionately large effects by virtue of their high local energy deposition: a single traversal by a heavy charged particle can kill or, what may be worse, severely damage a cell. Research into the pertinent physics and biology of heavy ion interactions has consequently been assigned a high priority in a recent report by a task group of the National Research Council. Fragmentation of the incident heavy ions in shielding or in the human body will modify an initially well known radiation field and thereby complicate both spacecraft shielding design and the evaluation of potential radiation hazards. Since it is impractical to empirically test the radiation transport properties of each possible shielding material and configuration, a great deal of effort is going into the development of models of charged particle fragmentation and transport. Accurate nuclear fragmentation cross sections (probabilities), either in the form of measurements with thin targets or theoretical calculations, are needed for input to the transport models, and fluence measurements (numbers of fragments produced by interactions in thick targets) are needed both to validate the models and to test specific shielding materials and designs. Fluence data are also needed to characterize the incident radiation field in accelerator radiobiology experiments. For a number of years, nuclear fragmentation measurements at GCR-like energies have been carried out at heavy ion accelerators including the LBL Bevalac, Saturne (France), the Synchrophasotron and Nuklotron (Dubna, Russia), SIS-18 (GSI, Germany), the

  20. Joint inhibition of TOR and JNK pathways interacts to extend the lifespan of Brachionus manjavacas (Rotifera).

    Science.gov (United States)

    Snell, Terry W; Johnston, Rachel K; Rabeneck, Brett; Zipperer, Cody; Teat, Stephanie

    2014-04-01

    The TOR kinase pathway is central in modulating aging in a variety of animal models. The target of rapamycin (TOR) integrates a complex network of signals from growth conditions, nutrient availability, energy status, and physiological stresses and matches an organism's growth rate to the resource environment. Important remaining problems are the identification of the pathways that interact with TOR and their characterization as additive or synergistic. One of the most versatile stress sensors in metazoans is the Jun-N-terminal kinase (JNK) signaling pathway. JNK is an evolutionarily conserved stress-activated protein kinase that is induced by a range of stressors, including UV irradiation, reactive oxygen species, DNA damage, heat, and bacterial antigens. JNK is thought to interact with the TOR pathway, but its effects on TOR are poorly understood. We used the rotifer Brachionus manjavacas as a model animal to probe the regulation of TOR and JNK pathways and explore their interaction. The effect of various chemical inhibitors was examined in life table and stressor challenge experiments. A survey of 12 inhibitors revealed two, rapamycin and JNK inhibitor, that significantly extended lifespan of B. manjavacas. At 1 μM concentration, exposure to rapamycin or JNK inhibitor extended mean rotifer lifespan by 35% and maximum lifespan by 37%. Exposure to both rapamycin and JNK inhibitor simultaneously extended mean rotifer lifespan by 65% more than either alone. Exposure to a combination of rapamycin and JNK inhibitors conveyed greater protection to starvation, UV and osmotic stress than either inhibitor alone. RNAi knockdown of TOR and JNK gene expression was investigated for its ability to extend rotifer lifespan. RNAi knockdown of the TOR gene resulted in 29% extension of the mean lifespan compared to control and knockdown of the JNK gene resulted in 51% mean lifespan extension. In addition to the lifespan, we quantified mitochondria activity using the fluorescent

  1. Near target residues from the peripheral interaction of relativistic heavy ions with bismuth

    International Nuclear Information System (INIS)

    Aleklett, K.; Morrissey, D.J.; Loveland, W.; Moody, K.; Seaborg, G.T.

    1979-01-01

    Isotopic distributions for the near target residues Au and Tl were measured radioanalytically for the reaction of 8.0-GeV 20 Ne ions with 209 Bi. The isotopic production cross section for Au and Tl isotopes were calculated by using a macroscopic abrasion-ablation model and a microscopic intranuclear cascade-evaporation model. The importance of the neutron skin in determining the yield of these products from the peripheral interactions was also explored in the framework of the macroscopic model. 3 figures

  2. Structure and dynamics of microbe-exuded polymers and their interactions with calcite surfaces.

    Energy Technology Data Exchange (ETDEWEB)

    Cygan, Randall Timothy; Mitchell, Ralph (Harvard University, Cambridge, MA); Perry, Thomas D. (Harvard University, Cambridge, MA)

    2005-12-01

    Cation binding by polysaccharides is observed in many environments and is important for predictive environmental modeling, and numerous industrial and food technology applications. The complexities of these organo-cation interactions are well suited to predictive molecular modeling studies for investigating the roles of conformation and configuration of polysaccharides on cation binding. In this study, alginic acid was chosen as a model polymer and representative disaccharide and polysaccharide subunits were modeled. The ability of disaccharide subunits to bind calcium and to associate with the surface of calcite was investigated. The findings were extended to modeling polymer interactions with calcium ions.

  3. Estimation of State of Charge of Lithium-Ion Batteries Used in HEV Using Robust Extended Kalman Filtering

    Directory of Open Access Journals (Sweden)

    Suleiman M. Sharkh

    2012-04-01

    Full Text Available A robust extended Kalman filter (EKF is proposed as a method for estimation of the state of charge (SOC of lithium-ion batteries used in hybrid electric vehicles (HEVs. An equivalent circuit model of the battery, including its electromotive force (EMF hysteresis characteristics and polarization characteristics is used. The effect of the robust EKF gain coefficient on SOC estimation is analyzed, and an optimized gain coefficient is determined to restrain battery terminal voltage from fluctuating. Experimental and simulation results are presented. SOC estimates using the standard EKF are compared with the proposed robust EKF algorithm to demonstrate the accuracy and precision of the latter for SOC estimation.

  4. Reactivities of some thiol collectors and their interactions with Ag (+1) ion by molecular modeling

    International Nuclear Information System (INIS)

    Yekeler, Hulya; Yekeler, Meftuni

    2004-01-01

    The most commonly used collectors for sulfide minerals in the mining industry are the thiol collectors for the recovery of these minerals from their associated gangues by froth flotation. For this reason, a great deal of attention has been paid to understand the attachment mechanism of thiol collectors to metal sulfide surfaces. The density functional theory (DFT) calculations at the B3LYP/3-21G* and B3LYP/6-31++G** levels were employed to propose the flotation responses of these thiol collectors, namely, diethyl dithiocarbamate, ethyl dithiocarbamate, ethyl dithiocarbonate, ethyl trithiocarbonate and ethyl dithiophosphate ions, and to study the interaction energies of these collectors with Ag (+1) ion in connection to acanthite (Ag 2 S) mineral. The calculated interaction energies, ΔE, were interpreted in terms of the highest occupied molecular orbital (HOMO) energies of the isolated collector ions. The results show that the HOMOs are strongly localized to the sulfur atoms and the HOMO energies can be used as a reactivity descriptor for the flotation ability of the thiol collectors. Using the HOMO and ΔE energies, the reactivity order of the collectors is found to be (C 2 H 5 ) 2 NCS 2 - > C 2 H 5 NHCS 2 - > C 2 H 5 OCS 2 - > C 2 H 5 SCS 2 - > (C 2 H 5 O)(OH)PS 2 - . The theoretically obtained results are in good agreement with the experimental data reported

  5. Study of highly charged ion production by electron cyclotron resonance ion source. Interactions of Argon 17+ ions with metallic surface at grazing incidence

    International Nuclear Information System (INIS)

    Ban, G.

    1992-04-01

    In this thesis divided in 2 parts, the author first presents the operating of MiniMafios 16/18 GHz ECR ion sources and methods of extracted multicharged ion identification and then, studies the highly charged ion interactions with a metallic surface and the formation of 'hollow atoms'. 556 figs., 17 tabs

  6. Direct processes in ion-atom collisions at intermediate and high energies

    International Nuclear Information System (INIS)

    Rodriguez Chariarse, V.D.

    1990-01-01

    This thesis deals with direct processes induced by Zp charge ion impact on one or two electron atoms and ions at intermediate energies. At a first step, a one-dimensional collision model is used in order to prove the different theoretical methods available to study collisions at such energy range, such as: perturbative and related variational principles, and distorted wave methods. The best description of both, symmetric and asymmetric collision type, is achieved by the distorted wave methods, particularly the ones using the exact impulsive wave function. As a next step, the appropriate formulations of the wave functions employed in the one-dimensional model to describe the real 3-dimensional Coulomb interaction case are examined by using the Eikonal and impulse hypothesis. In this way, the VPS and Eikonal wave functions are reviewed, and furtherly, the Eikonal form of the extended impulse wave function is derived. The Eikonal impulse approximation (EIA) is introduced. This is a distorted wave method using the Eikonal and extended impulse wave functions. The choice of the EIA prior version, i.e., the one using extended impulse wave function in the final channel for excitation is widely discussed and justified. (Author) [es

  7. Extended neutral atmosphere effect on solar wind interaction with nonmagnetic bodies of the solar system

    International Nuclear Information System (INIS)

    Breus, T.K.; Krymskij, A.M.; Mitnitskij, V.Ya.

    1987-01-01

    Numeric modelling of the Venus flow-around by the solar wind with regard to stream loading by heavy ions, produced under photoionization of the Venus neutral oxygen corona, is conducted. It is shown, that this effect can account for a whole number of peculiarities related to the solar wind interaction with the planet which have not been clearly explained yet, namely, shock wave position, solar wind stream and magnetic field characteristics behind the front

  8. Molecular modeling of inorganic compounds

    National Research Council Canada - National Science Library

    Comba, Peter; Hambley, Trevor W; Martin, Bodo

    2009-01-01

    ... mechanics to inorganic and coordination compounds. Initially, simple metal complexes were modeled, but recently the field has been extended to include organometallic compounds, catalysis and the interaction of metal ions with biological macromolecules. The application of molecular mechanics to coordination compounds is complicated by the numbe...

  9. Hybrid Lithium-ion Capacitor / Lithium-ion Battery System for Extended Performance

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed task will involve the design of a hybrid power system with lithium-ion (li-ion) capacitors (LICs), li-ion batteries and solar cells. The challenge in...

  10. An extended technicolor model

    International Nuclear Information System (INIS)

    Appelquist, T.; Terning, J.

    1994-01-01

    An extended technicolor model is constructed. Quark and lepton masses, spontaneous CP violation, and precision electroweak measurements are discussed. Dynamical symmetry breaking is analyzed using the concept of the big MAC (most attractive channel)

  11. Effects on Ion Cyclotron Emission of the Orbit Topology Changes from the Wave-Particle Interactions

    International Nuclear Information System (INIS)

    Hellsten, T.; Holmstroem, K.; Johnson, T.; Bergkvist, T.; Laxaback, M.

    2006-01-01

    It is known that non-relaxed distribution functions can give rise to excitation of magnetosonic waves by ion cyclotron interactions when the distribution function increases with respect to the perpendicular velocity. We have found that in a toroidal plasma also collisional relaxed distribution functions of central peaked high-energy ions can destabilise magnetosonic eigenmodes by ion cyclotron interactions, due to the change in localisation of the orbits establishing inverted distribution functions with respect to energy along the characteristics describing the cyclotron interactions. This can take place by interactions with barely co-passing and marginally trapped high-energy ions at the plasma boundary. The interactions are enhanced by tangential interactions, which can also prevent the interactions to reach the stable part of the characteristics where they interact with more deeply trapped orbits. (author)

  12. Quantum Simulation of a Lattice Schwinger Model in a Chain of Trapped Ions

    Directory of Open Access Journals (Sweden)

    P. Hauke

    2013-11-01

    Full Text Available We discuss how a lattice Schwinger model can be realized in a linear ion trap, allowing a detailed study of the physics of Abelian lattice gauge theories related to one-dimensional quantum electrodynamics. Relying on the rich quantum-simulation toolbox available in state-of-the-art trapped-ion experiments, we show how one can engineer an effectively gauge-invariant dynamics by imposing energetic constraints, provided by strong Ising-like interactions. Applying exact diagonalization to ground-state and time-dependent properties, we study the underlying microscopic model and discuss undesired interaction terms and other imperfections. As our analysis shows, the proposed scheme allows for the observation in realistic setups of spontaneous parity- and charge-symmetry breaking, as well as false-vacuum decay. Besides an implementation aimed at larger ion chains, we also discuss a minimal setting, consisting of only four ions in a simpler experimental setup, which enables us to probe basic physical phenomena related to the full many-body problem. The proposal opens a new route for analog quantum simulation of high-energy and condensed-matter models where gauge symmetries play a prominent role.

  13. 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)

  14. The Extended Role of the Communication Partner in AAC interaction

    DEFF Research Database (Denmark)

    Pilesjö, Maja Sigurd

    in the field.FindingsThe findings demonstrate that the speaking co-participant is sensitive to the actions of the person with impairments’ display of attention and actions within the local ‘contextual configuration’ (Goodwin, 2000). Due to differing resources, the relevant options for the next move......The Extended Role of the Communication Partner in AAC interactionIntroductionThe speaking communication partner in AAC interaction has a unique role (Blackstone et al., 2007). Interactional research in the field of AAC has, for instance, found that the interaction is characterized by a great deal......-analyses on naturally occurring social interaction, this session will demonstrate tasks that the speaking communication partner can undertake in AAC- interaction.Method and dataThe method of Conversation analysis (CA) is used in the current study (Higginbotham & Engelke, 2013). The general aim of CA is at getting...

  15. Electron, ion and atomic beams interaction with solid high-molecular dielectrics

    Energy Technology Data Exchange (ETDEWEB)

    Milyavskij, V V; Skvortsov, V A [Russian Academy of Sciences, Moscow (Russian Federation). High Energy Density Research Center

    1997-12-31

    A mathematical model was constructed and numerical investigation performed of the interaction between intense electron, ion and atomic beams and solid high-molecular dielectrics under various boundary conditions. The model is based on equations of the mechanics of continuum, electrodynamics and kinetics, describing the accumulation and relaxation of space charge and shock-wave processes, as well as the evolution of electric field in the sample. A semi-empirical procedure is proposed for the calculation of energy deposition by electron beam in a target in the presence of a non-uniform electric field. (author). 4 figs., 2 refs.

  16. The low-energy constants of the extended linear sigma model

    Energy Technology Data Exchange (ETDEWEB)

    Divotgey, Florian; Giacosa, Francesco; Kovacs, Peter; Rischke, Dirk H. [Institut fuer Theoretische Physik, Goethe-Universitaet Frankfurt am Main (Germany)

    2016-07-01

    The low-energy dynamics of Quantum Chromodynamics (QCD) is fully determined by the interactions of the (pseudo-) Nambu-Goldstone bosons of spontaneous chiral symmetry breaking, i.e., for two quark flavors, the pions. Pion dynamics is described by the low-energy effective theory of QCD, chiral perturbation theory (ChPT), which is based on the nonlinear realization of chiral symmetry. An alternative description is provided by the Linear Sigma Model, where chiral symmetry is linearly realized. An extended version of this model, the so-called extended Linear Sigma Model (eLSM) was recently developed which incorporates all J{sup P}=0{sup ±}, 1{sup ±} anti qq mesons up to 2 GeV in mass. A fit of the coupling constants of this model to experimentally measured masses and decay widths has a surprisingly good quality. In this talk, it is demonstrated that the low-energy limit of the eLSM, obtained by integrating out all fields which are heavier than the pions, assumes the same form as ChPT. Moreover, the low-energy constants (LECs) of the eLSM agree with those of ChPT.

  17. Novel wave/ion beam interaction approach to isotope separation

    International Nuclear Information System (INIS)

    Post, R.F.; Lowder, R.S.; Schwager, L.A.; Barr, W.L.; Warner, B.E.

    1993-02-01

    Numerical simulations and experimental studies have been made related to the possibility of employing an externally imposed electrostatic potential wave to separate isotopes. This wave/ion interaction is a sensitive function of the wave/ion difference velocity and for the appropriate wave amplitude and wave speed, a lighter faster isotope will be reflected by the wave to a higher energy while leaving heavier, slower isotopes virtually undisturbed in energy -- allowing subsequent ion separation by simple energy discrimination. In these experiments, a set of some 200 individual, electrodes, which surrounded a microamp beam of neon ions, was used to generate the wave. Measurements of the wave amplitudes needed for ion reflection and measurements of the final energies of those reflected ions are consistent with values expected from simple kinetic arguments and with the more detailed results of numeric simulations

  18. Lithium-ion backup batteries for coping extended loss of AC power (ELAP)

    International Nuclear Information System (INIS)

    Chang, Choong-koo

    2017-01-01

    Per NRC Regulations Title 10, Code of Federal Regulations (CFR) 50.63 'Loss of all alternating current power' all Korean nuclear power plants have a coping capability for SBO conditions for a limited time ranging from approximately eight (8) to sixteen (16) hours. The 125V DC systems are designed for eight (8) hours range except Class 1E channel A and B 125V DC system of which duty cycle is 2 hours in APR1400. The strategies proposed by this paper for coping extended loss of AC power (ELAP) involve a three-phase approach. In the first extend class 1E batteries' backup time until 24 hours. Then augment class 1E batteries with Lithium-ion batteries by 72 hours from the event initiation. In addition, obtain additional capability and redundancy from off-site equipment until power systems are restored or commissioned. (author)

  19. Balancing the Interactions of Ions, Water, and DNA in the Drude Polarizable Force Field

    OpenAIRE

    Savelyev, Alexey; MacKerell, Alexander D.

    2014-01-01

    Recently we presented a first-generation all-atom Drude polarizable force field for DNA based on the classical Drude oscillator model, focusing on optimization of key dihedral angles followed by extensive validation of the force field parameters. Presently, we describe the procedure for balancing the electrostatic interactions between ions, water, and DNA as required for development of the Drude force field for DNA. The proper balance of these interactions is shown to impact DNA stability and...

  20. 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.

  1. 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.

  2. A Statistical Model for Soliton Particle Interaction in Plasmas

    DEFF Research Database (Denmark)

    Dysthe, K. B.; Pécseli, Hans; Truelsen, J.

    1986-01-01

    A statistical model for soliton-particle interaction is presented. A master equation is derived for the time evolution of the particle velocity distribution as induced by resonant interaction with Korteweg-de Vries solitons. The detailed energy balance during the interaction subsequently determines...... the evolution of the soliton amplitude distribution. The analysis applies equally well for weakly nonlinear plasma waves in a strongly magnetized waveguide, or for ion acoustic waves propagating in one-dimensional systems....

  3. An Examination of Extended a-Rescaling Model

    Institute of Scientific and Technical Information of China (English)

    YAN Zhan-Yuan; DUAN Chun-Gui; HE Zhen-Min

    2001-01-01

    The extended x-rescaling model can explain the quark's nuclear effect very well. Weather it can also explain the gluon's nuclear effect should be investigated further. Associated J/ψ and γ production with large PT is a very clean channel to probe the gluon distribution in proton or nucleus. In this paper, using the extended x-rescaling model, the PT distribution of the nuclear effect factors of p + Fe → J/Ψ + γ+ X process is calculated and discussed. Comparing our theoretical results with the future experimental data, the extended x-rescaling model can be examined.``

  4. Ion thermal and dispersion effects in Farley-Buneman instabilities

    International Nuclear Information System (INIS)

    Litt, S. K.; Smolyakov, A. I.; Hassan, E.; Horton, W.

    2015-01-01

    Farley-Buneman modes are an example of the collisional instability, which is thought to be the dominant mechanism for the irregularities in low ionosphere region. Despite high collisionality due to electron-neutral and ion-neutral collisions, the kinetic effects associated with finite temperature are important for determination of the mode frequencies and growth rate. This is especially important for ion component that is largely unmagnetized due to low ion cyclotron frequency. The ion thermal effects are strongly pronounced for shorter wavelengths and are crucial for the growth rate cut-off at high wavenumbers. We develop an extended fluid model for ion dynamics to incorporate the effects of ion thermal motion. The model is based on the extended MHD model that includes the evolution equations for higher order moments such as ion viscosity and ion heat flux. We also develop the generalized Chapman-Enskog closure model that provides exact linear closures based on the linearized kinetic equation. The results of these models are compared and tested against the linear kinetic model. The dispersion of Farley-Buneman modes and growth rate behavior are investigated in the short wavelength region

  5. Reactivities of some thiol collectors and their interactions with Ag (+1) ion by molecular modeling

    Energy Technology Data Exchange (ETDEWEB)

    Yekeler, Hulya; Yekeler, Meftuni

    2004-09-15

    The most commonly used collectors for sulfide minerals in the mining industry are the thiol collectors for the recovery of these minerals from their associated gangues by froth flotation. For this reason, a great deal of attention has been paid to understand the attachment mechanism of thiol collectors to metal sulfide surfaces. The density functional theory (DFT) calculations at the B3LYP/3-21G* and B3LYP/6-31++G** levels were employed to propose the flotation responses of these thiol collectors, namely, diethyl dithiocarbamate, ethyl dithiocarbamate, ethyl dithiocarbonate, ethyl trithiocarbonate and ethyl dithiophosphate ions, and to study the interaction energies of these collectors with Ag (+1) ion in connection to acanthite (Ag{sub 2}S) mineral. The calculated interaction energies, {delta}E, were interpreted in terms of the highest occupied molecular orbital (HOMO) energies of the isolated collector ions. The results show that the HOMOs are strongly localized to the sulfur atoms and the HOMO energies can be used as a reactivity descriptor for the flotation ability of the thiol collectors. Using the HOMO and {delta}E energies, the reactivity order of the collectors is found to be (C{sub 2}H{sub 5}){sub 2}NCS{sub 2}{sup -} > C{sub 2}H{sub 5}NHCS{sub 2}{sup -} > C{sub 2}H{sub 5}OCS{sub 2}{sup -} > C{sub 2}H{sub 5}SCS{sub 2}{sup -} > (C{sub 2}H{sub 5}O)(OH)PS{sub 2}{sup -}. The theoretically obtained results are in good agreement with the experimental data reported.

  6. Ultraintense laser interaction with nanoscale targets: a simple model for layer expansion and ion acceleration

    International Nuclear Information System (INIS)

    Albright, B J; Yin, L; Hegelich, B M; Bowers, K J; Huang, C; Fernandez, J C; Flippo, K A; Gaillard, S A; Kwan, T J T; Henig, A; Tajima, T; Habs, D; Yan, X Q

    2010-01-01

    A simple model has been derived for expansion of a thin (up to 100s of nm thickness) target initially of solid density irradiated by an ultraintense laser. In this regime, ion acceleration mechanisms, such as the Break-Out Afterburner (BOA) [1], emerge with the potential for dramatically improved energy, efficiency, and energy spread. Ion beams have been proposed [2] as drivers for fast ignition inertial confinement fusion [3]. Analysis of kinetic simulations of the BOA shows the period of enhanced acceleration occurs between times t 1 , when the target becomes relativistically transparent to the laser, and t 2 , when the target becomes classically underdense and the enhanced acceleration terminates. A simple model for target expansion has been derived that contains early, one-dimensional (1D) expansion of the target and three-dimensional (3D) expansion at late times. The model assumes expansion is slab-like at the instantaneous ion sound speed and requires as input target composition, laser intensity, laser spot area, and the efficiency of laser absorption into electron thermal energy.

  7. Modelling the solar wind interaction with Mercury by a quasi-neutral hybrid model

    Directory of Open Access Journals (Sweden)

    E. Kallio

    2003-11-01

    Full Text Available Quasi-neutral hybrid model is a self-consistent modelling approach that includes positively charged particles and an electron fluid. The approach has received an increasing interest in space plasma physics research because it makes it possible to study several plasma physical processes that are difficult or impossible to model by self-consistent fluid models, such as the effects associated with the ions’ finite gyroradius, the velocity difference between different ion species, or the non-Maxwellian velocity distribution function. By now quasi-neutral hybrid models have been used to study the solar wind interaction with the non-magnetised Solar System bodies of Mars, Venus, Titan and comets. Localized, two-dimensional hybrid model runs have also been made to study terrestrial dayside magnetosheath. However, the Hermean plasma environment has not yet been analysed by a global quasi-neutral hybrid model. In this paper we present a new quasi-neutral hybrid model developed to study various processes associated with the Mercury-solar wind interaction. Emphasis is placed on addressing advantages and disadvantages of the approach to study different plasma physical processes near the planet. The basic assumptions of the approach and the algorithms used in the new model are thoroughly presented. Finally, some of the first three-dimensional hybrid model runs made for Mercury are presented. The resulting macroscopic plasma parameters and the morphology of the magnetic field demonstrate the applicability of the new approach to study the Mercury-solar wind interaction globally. In addition, the real advantage of the kinetic hybrid model approach is to study the property of individual ions, and the study clearly demonstrates the large potential of the approach to address these more detailed issues by a quasi-neutral hybrid model in the future.Key words. Magnetospheric physics (planetary magnetospheres; solar wind-magnetosphere interactions – Space plasma

  8. Towards a Game-Chatbot: Extending the Interaction in Serious Games

    NARCIS (Netherlands)

    Van Rosmalen, Peter; Eikelboom, Johan; Bloemers, Erik; Van Winzum, Kees; Spronck, Pieter

    2012-01-01

    Van Rosmalen, P., Eikelboom, J., Bloemers, E., Van Winzum, K., & Spronck, P. (2012). Towards a Game-Chatbot: Extending the Interaction in Serious Games. In P. Felicia (Ed.), Proceedings of the 6th European Conference on Games Based Learning (pp. 525-532). October, 4-5, 2012, Cork, Ireland. Academic

  9. Thermodynamic approach of the poly-azine - f element ions interaction in aqueous conditions

    International Nuclear Information System (INIS)

    Miguirditchian, M.; Guillaumont, D.; Moisy, P.; Guillaneux, D.; Madic, C.

    2004-01-01

    2-Amino-4,6-di-(pyridine-2-yl)-1,3,5-triazine (Adptz) was considered as a model compound for selective aromatic nitrogen extractants (poly-azines) of minor actinides. Thermodynamic data ( ΔG 0 , ΔH 0 , ΔS 0 ) were systematically acquired for the complexation of lanthanide(III) ions as well as yttrium(III) and americium(III) in hydro-alcoholic medium. Two complementary experimental approaches were followed. Stability constants for the formation of the 1:1 complexes were evaluated from UV-visible spectrophotometry titration experiments, whereas enthalpies and entropies of reaction were obtained consistently from either temperature dependence experiments or micro-calorimetry. The interaction of Adptz with lanthanide(III) and yttrium(III) ions was found to be essentially ionic and dependent upon the hydration and size of the ion. As for americium(III) ion, stability constant and enthalpy of complexation was significantly larger. This was attributed to a partial electronic transfer from the ligand to empty orbitals of the cation. DFT calculations support this interpretation. (authors)

  10. Hard processes and fragmentation in a unified model for interactions at ultra-relativistic energies; Les processus durs et la fragmentation dans un modele unifie pour les interactions aux energies ultra-relativistes

    Energy Technology Data Exchange (ETDEWEB)

    Drescher, H.J

    1999-06-11

    In this work we have developed hard processes and string fragmentation in the framework of interactions at relativistic energies. The hypothesis of the universality of high energy interactions means that many elements of heavy ion collisions can be studied and simulated in simpler nuclear reactions. In particular this hypothesis implies that the fragmentation observed in the reaction e{sup +}e{sup -} follows the same rules as in the collision of 2 lead ions. This work deals with 2 nuclear processes: the e{sup +}e{sup -} annihilation reaction and the deep inelastic diffusion. For the first process the string model has been developed to simulate fragmentation by adding an artificial breaking of string due to relativistic effects. A monte-Carlo method has been used to determine the points in a Minkowski space where this breaking occurs. For the second reaction, the theory of semi-hard pomerons is introduced in order to define elementary hadron-hadron interactions. The model of fragmentation proposed in this work can be applied to more complicated reactions such as proton-proton or ion-ion collisions.

  11. Spacecraft-plasma-debris interaction in an ion beam shepherd mission

    Science.gov (United States)

    Cichocki, Filippo; Merino, Mario; Ahedo, Eduardo

    2018-05-01

    This paper presents a study of the interaction between a spacecraft, a plasma thruster plume and a free floating object, in the context of an active space debris removal mission based on the ion beam shepherd concept. The analysis is performed with the EP2PLUS hybrid code and includes the evaluation of the transferred force and torque to the target debris, its surface sputtering due to the impinging hypersonic ions, and the equivalent electric circuit of the spacecraft-plasma-debris interaction. The electric potential difference that builds up between the spacecraft and the debris, the ion backscattering and the backsputtering contamination of the shepherd satellite are evaluated for a nominal scenario. A sensitivity analysis is carried out to evaluate quantitatively the effects of electron thermodynamics, ambient plasma, heavy species collisions, and debris position.

  12. Amorphous track models: a numerical comparison study

    DEFF Research Database (Denmark)

    Greilich, Steffen; Grzanka, Leszek; Hahn, Ute

    in carbon ion treatment at the particle facility HIT in Heidelberg. Apparent differences between the LEM and the Katz model are the way how interactions of individual particle tracks and how extended targets are handled. Complex scenarios, however, can mask the actual effect of these differences. Here, we......Amorphous track models such as Katz' Ion-Gamma-Kill (IGK) approach [1, 2] or the Local Effect Model (LEM) [3, 4] had reasonable success in predicting the response of solid state dosimeters and radiobiological systems. LEM is currently applied in radiotherapy for biological dose optimization...

  13. An Alternative Approach to the Extended Drude Model

    Science.gov (United States)

    Gantzler, N. J.; Dordevic, S. V.

    2018-05-01

    The original Drude model, proposed over a hundred years ago, is still used today for the analysis of optical properties of solids. Within this model, both the plasma frequency and quasiparticle scattering rate are constant, which makes the model rather inflexible. In order to circumvent this problem, the so-called extended Drude model was proposed, which allowed for the frequency dependence of both the quasiparticle scattering rate and the effective mass. In this work we will explore an alternative approach to the extended Drude model. Here, one also assumes that the quasiparticle scattering rate is frequency dependent; however, instead of the effective mass, the plasma frequency becomes frequency-dependent. This alternative model is applied to the high Tc superconductor Bi2Sr2CaCu2O8+δ (Bi2212) with Tc = 92 K, and the results are compared and contrasted with the ones obtained from the conventional extended Drude model. The results point to several advantages of this alternative approach to the extended Drude model.

  14. Spectrofluorometric and Molecular Modeling Studies on Binding of Nitrite Ion with Bovine Hemoglobin: Effect of Nitrite Ion on Amino Acid Residues

    Science.gov (United States)

    Madrakian, T.; Bagheri, H.; Afkhami, A.

    2015-05-01

    The interaction between nitrite ion and bovine hemoglobin was investigated by a spectrofluorometric technique. The experimental results indicated that the interaction causes a static quenching of the fluorescence of bovine hemoglobin, that the binding reaction is spontaneous, and that H-bonding interactions play a major role in binding of this ion to bovine hemoglobin. The formation constant for this interaction was calculated. Based on Förster's theory of nonradiative energy transfer, the binding distance between this ion and bovine hemoglobin was determined. Furthermore, the interaction of nitrite ion with tyrosine and tryptophan was investigated with synchronous fluorescence. There was no significant shift of the maximum emission wavelength with interactions of the mentioned ion with bovine hemoglobin, which implies that interaction of nitrite ion with bovine hemoglobin does not affect the microenvironment around the tryptophan and tyrosine residues. Furthermore, the effect of nitrite ion on amino acid residues of bovine hemoglobin was studied by a molecular docking technique.

  15. A Novel Biped Pattern Generator Based on Extended ZMP and Extended Cart-Table Model

    Directory of Open Access Journals (Sweden)

    Guangbin Sun

    2015-07-01

    Full Text Available This paper focuses on planning patterns for biped walking on complex terrains. Two problems are solved: ZMP (zero moment point cannot be used on uneven terrain, and the conventional cart-table model does not allow vertical CM (centre of mass motion. For the ZMP definition problem, we propose the extended ZMP (EZMP concept as an extension of ZMP to uneven terrains. It can be used to judge dynamic balance on universal terrains. We achieve a deeper insight into the connection and difference between ZMP and EZMP by adding different constraints. For the model problem, we extend the cart-table model by using a dynamic constraint instead of constant height constraint, which results in a mathematically symmetric set of three equations. In this way, the vertical motion is enabled and the resultant equations are still linear. Based on the extended ZMP concept and extended cart-table model, a biped pattern generator using triple preview controllers is constructed and implemented simultaneously to three dimensions. Using the proposed pattern generator, the Atlas robot is simulated. The simulation results show the robot can walk stably on rather complex terrains by accurately tracking extended ZMP.

  16. Extended soft wall model with background related to features of QCD thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Zoellner, R.; Kaempfer, B. [Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany); TU Dresden, Institut fuer Theoretische Physik, Dresden (Germany)

    2017-06-15

    The soft wall model is extended to accommodate at the same time i) approximately linear ρ meson Regge trajectories at zero temperature T, ii) various options for the thermodynamics with reference to QCD (cross-over or second-order transition or first-order transition at T{sub c}), and iii) the appearance of vector meson states at T model dependence very near to T{sub c}, they stay below T{sub c} to good accuracy independent of the temperature, that is nearly as at T = 0, thus being very consistent with the thermo-statistical models widely employed in analyses of the hadron yields in relativistic heavy-ion collisions in a region where baryon density effects can be neglected and the vacuum hadron masses are used. (orig.)

  17. LBQ2D, Extending the Line Broadened Quasilinear Model to TAE-EP Interaction

    Science.gov (United States)

    Ghantous, Katy; Gorelenkov, Nikolai; Berk, Herbert

    2012-10-01

    The line broadened quasilinear model was proposed and tested on the one dimensional electrostatic case of the bump on tailfootnotetextH.L Berk, B. Breizman and J. Fitzpatrick, Nucl. Fusion, 35:1661, 1995 to study the wave particle interaction. In conventional quasilinear theory, the sea of overlapping modes evolve with time as the particle distribution function self consistently undergo diffusion in phase space. The line broadened quasilinear model is an extension to the conventional theory in a way that allows treatment of isolated modes as well as overlapping modes by broadening the resonant line in phase space. This makes it possible to treat the evolution of modes self consistently from onset to saturation in either case. We describe here the model denoted by LBQ2D which is an extension of the proposed one dimensional line broadened quasilinear model to the case of TAEs interacting with energetic particles in two dimensional phase space, energy as well as canonical angular momentum. We study the saturation of isolated modes in various regimes and present the analytical derivation and numerical results. Finally, we present, using ITER parameters, the case where multiple modes overlap and describe the techniques used for the numerical treatment.

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

    International Nuclear Information System (INIS)

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

    1995-01-01

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

  19. An ion displacement membrame model.

    Science.gov (United States)

    Hladky, S B; Harris, J D

    1967-09-01

    The usual assumption in treating the diffusion of ions in an electric field has been that the movement of each ion is independent of the movement of the others. The resulting equation for diffusion by a succession of spontaneous jumps has been well stated by Parlin and Eyring. This paper will consider one simple case in which a different assumption is reasonable. Diffusion of monovalent positive ions is considered as a series of jumps from one fixed negative site to another. The sites are assumed to be full (electrical neutrality). Interaction occurs by the displacement of one ion by another. An ion leaves a site if and only if another ion, not necessarily of the same species, attempts to occupy the same site. Flux ratios and net fluxes are given as functions of the electrical potential, concentration ratios, and number of sites encountered in crossing the membrane. Quantitative comparisons with observations of Hodgkin and Keynes are presented.

  20. Multi-species Ionic Diffusion in Concrete with Account to Interaction Between Ions in the Pore Solution and the Cement Hydrates

    DEFF Research Database (Denmark)

    Johannesson, Björn

    2007-01-01

    results concerning the multi-species action during chloride penetration. In the model the chemical interaction between ions in solids and in pore solution is assumed governed by simple ion exchange processes only. The drawback using this approach is that the chemical part is lacking important physical...... relevance in terms of standard solubility thermodynamics. On the other hand the presented model is capable of accurately simulate the well documented peak behavior of the chloride profiles and the measured high content of calcium ions in pore solution under conditions when also chlorides is present...

  1. Ion-surface interaction: simulation of plasma-wall interaction (ITER)

    International Nuclear Information System (INIS)

    Salou, Pierre

    2013-01-01

    The wall materials of magnetic confinement in fusion machines are exposed to an aggressive environment; the reactor blanket is bombarded with a high flux of particles extracted from the plasma, leading to the sputtering of surface material. This sputtering causes wall erosion as well as plasma contamination problems. In order to control fusion reactions in complex reactors, it is thus imperative to well understand the plasma-wall interactions. This work proposes the study of the sputtering of fusion relevant materials. We propose to simulate the charged particles influx by few keV single-charged ion beams. This study is based on the catcher method; to avoid any problem of pollution (especially in the case of carbon) we designed a new setup allowing an in situ Auger electron spectroscopy analysis. The results provide the evolution of the angular distribution of the sputtering yield as a function of the ion mass (from helium to xenon) and its energy (from 3 keV to 9 keV). (author) [fr

  2. Towards a Game-Chatbot: Extending the Interaction in Serious Games

    OpenAIRE

    Van Rosmalen, Peter; Eikelboom, Johan; Bloemers, Erik; Van Winzum, Kees; Spronck, Pieter

    2012-01-01

    Van Rosmalen, P., Eikelboom, J., Bloemers, E., Van Winzum, K., & Spronck, P. (2012). Towards a Game-Chatbot: Extending the Interaction in Serious Games. In P. Felicia (Ed.), Proceedings of the 6th European Conference on Games Based Learning (pp. 525-532). October, 4-5, 2012, Cork, Ireland. Academic Publishing International Limited, Reading, UK.

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

    International Nuclear Information System (INIS)

    Wang, Z.L.

    1982-01-01

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

  4. Ultraintense laser interaction with nanoscale target: a simple model for layer expansion and ion acceleration

    International Nuclear Information System (INIS)

    Albright, Brian J.; Yin, Lin; Hegelich, Bjoorn M.; Bowers, Kevin J.; Huang, Chengkun; Fernandez, Juan C.; Flippo, Kirk A.; Gaillard, Sandrine; Kwan, Thomas J.T.; Henig, Andreas; Habs, Dieter

    2009-01-01

    A simple model has been derived for the expansion of a thin (up to 100s of nm thickness), solid-density target driven by an u.ltraintense laser. In this regime, new ion acceleration mechanisms, such as the Break-Out Afterburner (BOA) (1), emerge with the potential to dramatically improve energy, efficiency, and energy spread of laser-driven ion beams. Such beams have been proposed (2) as drivers for fast ignition inertial confinement fusion (3). Analysis of kinetic simulations of the BOA shows two dislinct times that bound the period of enhanced acceleration: t 1 , when the target becomes relativistically transparent to the laser, and t 2 , when the target becomes classically underdense and the enhanced acceleration terminates. A silllple dynamical model for target expansion has been derived that contains both the early, one-dimensional (lD) expansion of the target as well as three-dimensional (3D) expansion of the plasma at late times, The model assumes that expansion is slab-like at the instantaneous ion sound speed and requires as input target composition, laser intensity, laser spot area, and the efficiency of laser absorption into electron thermal energy.

  5. Divalent Ion Parameterization Strongly Affects Conformation and Interactions of an Anionic Biomimetic Polymer

    Energy Technology Data Exchange (ETDEWEB)

    Daily, Michael D.; Baer, Marcel D.; Mundy, Christopher J.

    2016-03-10

    The description of peptides and the use of molecular dynamics simulations to refine structures and investigate the dynamics on an atomistic scale are well developed. Through a consensus in this community over multiple decades, parameters were developed for molecular interactions that only require the sequence of amino-acids and an initial guess for the three-dimensional structure. The recent discovery of peptoids will require a retooling of the currently available interaction potentials in order to have the same level of confidence in the predicted structures and pathways as there is presently in the peptide counterparts. Here we present modeling of peptoids using a combination of ab initio molecular dynamics (AIMD) and atomistic resolution classical forcefield (FF) to span the relevant time and length scales. To properly account for the dominant forces that stabilize ordered structures of peptoids, namely steric-, electrostatic, and hydrophobic interactions mediated through sidechain-sidechain interactions in the FF model, those have to be first mapped out using high fidelity atomistic representations. A key feature here is not only to use gas phase quantum chemistry tools, but also account for solvation effects in the condensed phase through AIMD. One major challenge is to elucidate ion binding to charged or polar regions of the peptoid and its concomitant role in the creation of local order. Here, similar to proteins, a specific ion effect is observed suggesting that both the net charge and the precise chemical nature of the ion will need to be described. MDD was supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative at Pacific Northwest National Laboratory. Research was funded by the Laboratory Directed Research and Development program at Pacific Northwest National Laboratory. MDB acknowledges support from US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Material & Engineering. CJM acknowledges

  6. Interaction of supra-thermal ions with turbulence in a magnetized toroidal plasma

    International Nuclear Information System (INIS)

    Plyushchev, G.

    2009-01-01

    This thesis addresses the interaction of a supra-thermal ion beam with turbulence in the simple magnetized toroidal plasma of TORPEX. The first part of the Thesis deals with the ohmic assisted discharges on TORPEX. The aim of these discharges is the investigation of the open to closed magnetic field line transition. The relevant magnetic diagnostics were developed. Ohmic assisted discharges with a maximum plasma current up to 1 kA are routinely obtained. The equilibrium conditions on the vacuum magnetic field configuration were investigated. In the second part of the Thesis, the design of the fast ion source and detector are discussed. The accelerating electric field needed for the fast ion source was optimized. The fast ion source was constructed and commissioned. To detect the fast ions a specially designed gridded energy analyzer was used. The electron energy distribution function was obtained to demonstrate the efficiency of the detector. The experiments with the fast ion beam were conducted in different plasma regions of TORPEX. In the third part of the Thesis, numerical simulations are used to interpret the measured fast ion beam behavior. It is shown that a simple single particle equation of motion explains the beam behavior in the experiments in the absence of plasma. To explain the fast ion beam experiments with the plasma a turbulent electric field must be used. The model that takes into account this turbulent electrical field qualitatively explains the shape of the fast ion current density profile in the different plasma regions of TORPEX. The vertically elongated fast ion current density profiles are explained by a spread in the fast ion velocity distribution. The theoretically predicted radial fast ion beam spreading due to the turbulent electric field was observed in the experiment. (author)

  7. Extended two-temperature model for ultrafast thermal response of band gap materials upon impulsive optical excitation

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Taeho [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Samsung Advanced Institute of Technology, Suwon 443-803 (Korea, Republic of); Teitelbaum, Samuel W.; Wolfson, Johanna; Nelson, Keith A., E-mail: kanelson@mit.edu [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Kandyla, Maria [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens 116-35 (Greece)

    2015-11-21

    Thermal modeling and numerical simulations have been performed to describe the ultrafast thermal response of band gap materials upon optical excitation. A model was established by extending the conventional two-temperature model that is adequate for metals, but not for semiconductors. It considers the time- and space-dependent density of electrons photoexcited to the conduction band and accordingly allows a more accurate description of the transient thermal equilibration between the hot electrons and lattice. Ultrafast thermal behaviors of bismuth, as a model system, were demonstrated using the extended two-temperature model with a view to elucidating the thermal effects of excitation laser pulse fluence, electron diffusivity, electron-hole recombination kinetics, and electron-phonon interactions, focusing on high-density excitation.

  8. Finite element modeling of nonlinear piezoelectric energy harvesters with magnetic interaction

    International Nuclear Information System (INIS)

    Upadrashta, Deepesh; Yang, Yaowen

    2015-01-01

    Piezoelectric energy harvesting from ambient vibrations is a potential technology for powering wireless sensors and low power electronic devices. The conventional linear harvesters suffer from narrow operational bandwidth. Many attempts have been made especially using the magnetic interaction to broaden the bandwidth of harvesters. The finite element (FE) modeling has been used only for analyzing the linear harvesters in the literature. The main difficulties in extending the FE modeling to analyze the nonlinear harvesters involving magnetic interaction are developing the mesh needed for magnetic interaction in dynamic problems and the high demand on computational resource needed for solving the coupled electrical–mechanical–magnetic problem. In this paper, an innovative method is proposed to model the magnetic interaction without inclusion of the magnetic module. The magnetic force is modeled using the nonlinear spring element available in ANSYS finite element analysis (FEA) package, thus simplifying the simulation of nonlinear piezoelectric energy harvesters as an electromechanically coupled problem. Firstly, an FE model of a monostable nonlinear harvester with cantilever configuration is developed and the results are validated with predictions from the theoretical model. Later, the proposed technique of FE modeling is extended to a complex 2-degree of freedom nonlinear energy harvester for which an accurate analytical model is difficult to derive. The performance predictions from FEA are compared with the experimental results. It is concluded that the proposed modeling technique is able to accurately analyze the behavior of nonlinear harvesters with magnetic interaction. (paper)

  9. The interactions of high-energy, highly-charged ions with fullerenes

    International Nuclear Information System (INIS)

    Ali, R.; Berry, H.G.; Cheng, S.

    1996-01-01

    In 1985, Robert Curl and Richard Smalley discovered a new form of carbon, the fullerene, C 60 , which consists of 60 carbon atoms in a closed cage resembling a soccer ball. In 1990, Kritschmer et al. were able to make macroscopic quantities of fullerenes. This has generated intense activity to study the properties of fullerenes. One area of research involves collisions between fullerenes and atoms, ions or electrons. In this paper we describe experiments involving interactions between fullerenes and highly charged ions in which the center-of-mass energies exceed those used in other work by several orders of magnitude. The high values of projectile velocity and charge state result in excitation and decay processes differing significantly from those seen in studies 3 at lower energies. Our results are discussed in terms of theoretical models analogous to those used in nuclear physics and this provides an interesting demonstration of the unity of physics

  10. Poisson-Fermi modeling of ion activities in aqueous single and mixed electrolyte solutions at variable temperature

    Science.gov (United States)

    Liu, Jinn-Liang; Eisenberg, Bob

    2018-02-01

    The combinatorial explosion of empirical parameters in tens of thousands presents a tremendous challenge for extended Debye-Hückel models to calculate activity coefficients of aqueous mixtures of the most important salts in chemistry. The explosion of parameters originates from the phenomenological extension of the Debye-Hückel theory that does not take steric and correlation effects of ions and water into account. By contrast, the Poisson-Fermi theory developed in recent years treats ions and water molecules as nonuniform hard spheres of any size with interstitial voids and includes ion-water and ion-ion correlations. We present a Poisson-Fermi model and numerical methods for calculating the individual or mean activity coefficient of electrolyte solutions with any arbitrary number of ionic species in a large range of salt concentrations and temperatures. For each activity-concentration curve, we show that the Poisson-Fermi model requires only three unchanging parameters at most to well fit the corresponding experimental data. The three parameters are associated with the Born radius of the solvation energy of an ion in electrolyte solution that changes with salt concentrations in a highly nonlinear manner.

  11. SU-E-T-323: The FLUKA Monte Carlo Code in Ion Beam Therapy

    Energy Technology Data Exchange (ETDEWEB)

    Rinaldi, I [Heidelberg University Hospital (Germany); Ludwig-Maximilian University Munich (Germany)

    2014-06-01

    Purpose: Monte Carlo (MC) codes are increasingly used in the ion beam therapy community due to their detailed description of radiation transport and interaction with matter. The suitability of a MC code demands accurate and reliable physical models for the transport and the interaction of all components of the mixed radiation field. This contribution will address an overview of the recent developments in the FLUKA code oriented to its application in ion beam therapy. Methods: FLUKA is a general purpose MC code which allows the calculations of particle transport and interactions with matter, covering an extended range of applications. The user can manage the code through a graphic interface (FLAIR) developed using the Python programming language. Results: This contribution will present recent refinements in the description of the ionization processes and comparisons between FLUKA results and experimental data of ion beam therapy facilities. Moreover, several validations of the largely improved FLUKA nuclear models for imaging application to treatment monitoring will be shown. The complex calculation of prompt gamma ray emission compares favorably with experimental data and can be considered adequate for the intended applications. New features in the modeling of proton induced nuclear interactions also provide reliable cross section predictions for the production of radionuclides. Of great interest for the community are the developments introduced in FLAIR. The most recent efforts concern the capability of importing computed-tomography images in order to build automatically patient geometries and the implementation of different types of existing positron-emission-tomography scanner devices for imaging applications. Conclusion: The FLUA code has been already chosen as reference MC code in many ion beam therapy centers, and is being continuously improved in order to match the needs of ion beam therapy applications. Parts of this work have been supported by the European

  12. Application of the multicriterion optimization techniques and hierarchy of computational models to the research of ion acceleration due to laser-plasma interaction

    Science.gov (United States)

    Inovenkov, I. N.; Echkina, E. Yu.; Nefedov, V. V.; Ponomarenko, L. S.

    2017-12-01

    In this paper we discuss how a particles-in-cell computation code can be combined with methods of multicriterion optimization (in particular the Pareto optimal solutions of the multicriterion optimization problem) and a hierarchy of computational models approach to create an efficient tool for solving a wide array of problems related to the laser-plasma interaction. In case of the computational experiment the multicriterion optimization can be applied as follows: the researcher defines the objectives of the experiment - some computable scalar values (i.e. high kinetic energy of the ions leaving the domain, least possible number of electrons leaving domain in the given direction, etc). After that the parameters of the experiment which can be varied to achieve these objectives and the constrains on these parameters are chosen (e.g. amplitude and wave-length of the laser radiation, dimensions of the plasma slab(s)). The Pareto optimality of the vector of the parameters can be seen as this: x 0 is Pareto optimal if there exists no vector which would improve some criterion without causing a simultaneous degradation in at least one other criterion. These efficient set of parameter and constrains can be selected based on the preliminary calculations in the simplified models (one or two-dimensional) either analytical or numerical. The multistage computation of the Pareto set radically reduces the number of variants which are to be evaluated to achieve the given accuracy. During the final stage we further improve the results by recomputing some of the optimal variants on the finer grids, with more particles and/or in the frame of a more detailed model. As an example we have considered the ion acceleration caused by interaction of very intense and ultra-short laser pulses with plasmas and have calculated the optimal set of experiment parameters for optimizing number and average energy of high energy ions leaving the domain in the given direction and minimizing the expulsion

  13. Elementary processes in plasma-surface interactions with emphasis on ions

    International Nuclear Information System (INIS)

    Zalm, P.C.

    1985-01-01

    Elementary processes occurring at solid surfaces immersed in low pressure plasmas are reviewed. In particular mechanisms leading to anisotropic or directional etching are discussed. The crucial role of ion bombardment is emphasized. First a brief summary of the interaction of (excited) neutrals, ions and electrons with targets is given. Next various aspects of sputter-etching with noble gas and reactive ions are surveyed. Finally it will be argued that synergistic effects, invoked by ion bombardment of a surface under simultaneous exposure to a reactive gas flux, are foremost important in explaining anisotropic plasma etching. It is shown that the role of the ions is not merely to stimulate the chemical reaction path but rather that the active gas flow chemically enhances the sputtering. (author)

  14. Element-specific density profiles in interacting biomembrane models

    International Nuclear Information System (INIS)

    Schneck, Emanuel; Rodriguez-Loureiro, Ignacio; Bertinetti, Luca; Gochev, Georgi; Marin, Egor; Novikov, Dmitri; Konovalov, Oleg

    2017-01-01

    Surface interactions involving biomembranes, such as cell–cell interactions or membrane contacts inside cells play important roles in numerous biological processes. Structural insight into the interacting surfaces is a prerequisite to understand the interaction characteristics as well as the underlying physical mechanisms. Here, we work with simplified planar experimental models of membrane surfaces, composed of lipids and lipopolymers. Their interaction is quantified in terms of pressure–distance curves using ellipsometry at controlled dehydrating (interaction) pressures. For selected pressures, their internal structure is investigated by standing-wave x-ray fluorescence (SWXF). This technique yields specific density profiles of the chemical elements P and S belonging to lipid headgroups and polymer chains, as well as counter-ion profiles for charged surfaces. (paper)

  15. A 2-100 keV, UHV ion impact spectrometer for ion-solid interaction studies

    International Nuclear Information System (INIS)

    Berg, J.A. Van den; Armour, D.G.; Verheij, L.K.

    1978-01-01

    A 2 to 100 keV ion accelerator has been constructed as part of an ion impact spectrometer in which a number of analytical techniques have been combined to allow a comprehensive study of the interaction of low- and medium-energy ions with solids to be carried out under carefully controlled conditions. The overall requirements of the ion beam system in terms of ion species, beam purity, uniformity, energy spread and intensity were dictated by the interest in carrying out low-energy ion scattering, Rutherford back-scattering and thermal desorption experiments. The accelerator design utilises the principle of low-energy extraction and mass analysis, and post-acceleration up to the required high energy. The ions are produced in a duoplasmatron ion source and a parallel beam is obtained after mass selection, utilising a quadrupole triplet lens in conjunction with a 60 0 stigmatic focusing magnetic analyser. Proton and rare gas ion beams of 1 to 100 nA are routinely obtained on target. The 54 cm diameter, UHV target chamber is pumped by a 270 1 s -1 turbo-molecular pump in conjunction with an in-line titanium sublimator, and typical base pressures of 1 to 4 x 10 -11 Torr are achieved. The target is supported in a precision, three-axis goniometer and the detection system, at present comprising a 90 mm mean diameter hemispherical energy analyser and channel electron multiplier, is mounted on a two-axis manipulator. Preliminary measurements using the system have employed the low-energy ion scattering technique to study the oxidation of a Ni(110) surface. (author)

  16. Competition among Li+, Na+, K+ and Rb+ Monovalent Ions for DNA in Molecular Dynamics Simulations using the Additive CHARMM36 and Drude Polarizable Force Fields

    Science.gov (United States)

    Savelyev, Alexey; MacKerell, Alexander D.

    2015-01-01

    In the present study we report on interactions of and competition between monovalent ions for two DNA sequences in MD simulations. Efforts included the development and validation of parameters for interactions among the first-group monovalent cations, Li+, Na+, K+ and Rb+, and DNA in the Drude polarizable and additive CHARMM36 force fields (FF). The optimization process targeted gas-phase QM interaction energies of various model compounds with ions and osmotic pressures of bulk electrolyte solutions of chemically relevant ions. The optimized ionic parameters are validated against counterion condensation theory and buffer exchange-atomic emission spectroscopy measurements providing quantitative data on the competitive association of different monovalent ions with DNA. Comparison between experimental and MD simulation results demonstrates that, compared to the additive CHARMM36 model, the Drude FF provides an improved description of the general features of the ionic atmosphere around DNA and leads to closer agreement with experiment on the ionic competition within the ion atmosphere. Results indicate the importance of extended simulation systems on the order of 25 Å beyond the DNA surface to obtain proper convergence of ion distributions. PMID:25751286

  17. Relativistic ion acceleration by ultraintense laser interactions

    International Nuclear Information System (INIS)

    Nakajima, K.; Koga, J.K.; Nakagawa, K.

    2001-01-01

    There has been a great interest in relativistic particle generation by ultraintense laser interactions with matter. We propose the use of relativistically self-focused laser pulses for the acceleration of ions. Two dimensional PIC simulations are performed, which show the formation of a large positive electrostatic field near the front of a relativistically self-focused laser pulse. Several factors contribute to the acceleration including self-focusing distance, pulse depletion, and plasma density. Ultraintense laser-plasma interactions are capable of generating enormous electrostatic fields of ∼3 TV/m for acceleration of protons with relativistic energies exceeding 1 GeV

  18. Atomic and plasma-material interaction data for fusion. V. 2

    International Nuclear Information System (INIS)

    1992-01-01

    This issues of the Atomic and Plasma-Material Interaction Data for Fusion contains 9 papers on atomic and molecular processes in the edge region of magnetically confined fusion plasmas, including spectroscopic data for fusion edge plasmas; electron collision processes with plasma edge neutrals; electron-ion collisions in the plasma edge; cross-section data for collisions of electrons with hydrocarbon molecules; dissociative and energy transfer reactions involving vibrationally excited hydrogen or deuterium molecules; an assessment of ion-atom collision data for magnetic fusion plasma edge modeling; an extended scaling of cross sections for the ionization of atomic and molecular hydrogen as well as helium by multiply-charged ions; ion-molecule collision processes relevant to fusion edge plasmas; and radiative losses and electron cooling rates for carbon and oxygen plasma impurities. Refs, figs and tabs

  19. Investigation of the mechanism of interaction of Lithium 6 ions on Beryllium 9

    International Nuclear Information System (INIS)

    Coste, Mireille

    1962-01-01

    The objective of this research on the interaction of Lithium 6 and Beryllium 9 ions is to obtain new indications on the mode of interaction of these heavy ions, and on the configuration of target nuclei and projectile nuclei. In a first part, the author presents and describes the experimental conditions which comprise a Van de Graaff accelerator, a source, a stripper, and a target. He reports the study of α particles emitted by the reaction between the Lithium and Beryllium ions: description of the experimental installation (irradiation chamber and method), presentation and interpretation of experimental results. In the next part, he reports the study of Lithium 7 and Beryllium 10 nuclides emitted by disintegration of Beryllium 11: description of experimental conditions, variations of cross sections, variation of the cross section rate, and interpretation. The author then addresses the study of the intervention of the mode of interaction by 15 N compound nucleus in the reactions between lithium and beryllium ions: study of intensities of the different spectrum lines, measurement of the Doppler effect produced of the 479 keV line, interpretation of results. In conclusion, the author analyses the mechanism of interaction between lithium and beryllium ions, and discusses different theories: the Newns and Glendenning theories, and the Leigh theory

  20. Images of Complex Interactions of an Intense Ion Beam with Plasma Electrons

    International Nuclear Information System (INIS)

    Kaganovich, Igor D.; Startsev, Edward; Davidson, Ronald C.

    2004-01-01

    Ion beam propagation in a background plasma is an important scientific issue for many practical applications. The process of ion beam charge and current neutralization is complex because plasma electrons move in strong electric and magnetic fields of the beam. Computer simulation images of plasma interaction with an intense ion beam pulse are presented

  1. A three-scale model for ionic solute transport in swelling clays incorporating ion-ion correlation effects

    Science.gov (United States)

    Le, Tien Dung; Moyne, Christian; Murad, Marcio A.

    2015-01-01

    A new three-scale model is proposed to describe the movement of ionic species of different valences in swelling clays characterized by three separate length scales (nano, micro, and macro) and two levels of porosity (nano- and micropores). At the finest (nano) scale the medium is treated as charged clay particles saturated by aqueous electrolyte solution containing monovalent and divalent ions forming the electrical double layer. A new constitutive law is constructed for the disjoining pressure based on the numerical resolution of non-local problem at the nanoscale which, in contrast to the Poisson-Boltzmann theory for point charge ions, is capable of capturing the short-range interactions between the ions due to their finite size. At the intermediate scale (microscale), the two-phase homogenized particle/electrolyte solution system is represented by swollen clay clusters (or aggregates) with the nanoscale disjoining pressure incorporated in a modified form of Terzaghi's effective principle. At the macroscale, the electro-chemical-mechanical couplings within clay clusters is homogenized with the ion transport in the bulk fluid lying in the micro pores. The resultant macroscopic picture is governed by a three-scale model wherein ion transport takes place in the bulk solution strongly coupled with the mechanics of the clay clusters which play the role of sources/sinks of mass to the bulk fluid associated with ion adsorption/desorption in the electrical double layer at the nanoscale. Within the context of the quasi-steady version of the multiscale model, wherein the electrolyte solution in the nanopores is assumed at instantaneous thermodynamic equilibrium with the bulk fluid in the micropores, we build-up numerically the ion-adsorption isotherms along with the constitutive law of the retardation coefficients of monovalent and divalent ions. In addition, the constitutive law for the macroscopic swelling pressure is reconstructed numerically showing patterns of

  2. Modelling the solar wind interaction with Mercury by a quasi-neutral hybrid model

    Directory of Open Access Journals (Sweden)

    E. Kallio

    Full Text Available Quasi-neutral hybrid model is a self-consistent modelling approach that includes positively charged particles and an electron fluid. The approach has received an increasing interest in space plasma physics research because it makes it possible to study several plasma physical processes that are difficult or impossible to model by self-consistent fluid models, such as the effects associated with the ions’ finite gyroradius, the velocity difference between different ion species, or the non-Maxwellian velocity distribution function. By now quasi-neutral hybrid models have been used to study the solar wind interaction with the non-magnetised Solar System bodies of Mars, Venus, Titan and comets. Localized, two-dimensional hybrid model runs have also been made to study terrestrial dayside magnetosheath. However, the Hermean plasma environment has not yet been analysed by a global quasi-neutral hybrid model.

    In this paper we present a new quasi-neutral hybrid model developed to study various processes associated with the Mercury-solar wind interaction. Emphasis is placed on addressing advantages and disadvantages of the approach to study different plasma physical processes near the planet. The basic assumptions of the approach and the algorithms used in the new model are thoroughly presented. Finally, some of the first three-dimensional hybrid model runs made for Mercury are presented.

    The resulting macroscopic plasma parameters and the morphology of the magnetic field demonstrate the applicability of the new approach to study the Mercury-solar wind interaction globally. In addition, the real advantage of the kinetic hybrid model approach is to study the property of individual ions, and the study clearly demonstrates the large potential of the approach to address these more detailed issues by a quasi-neutral hybrid model in the future.

    Key words. Magnetospheric physics

  3. Ion Acceleration by Laser Plasma Interaction from Cryogenic Microjets

    Energy Technology Data Exchange (ETDEWEB)

    Propp, Adrienne [Harvard Univ., Cambridge, MA (United States)

    2015-08-16

    Processes that occur in extreme conditions, such as in the center of stars and large planets, can be simulated in the laboratory using facilities such as SLAC National Accelerator Laboratory and the Jupiter Laser Facility (JLF) at Lawrence Livermore National Laboratory (LLNL). These facilities allow scientists to investigate the properties of matter by observing their interactions with high-power lasers. Ion acceleration from laser plasma interaction is gaining greater attention today due to its widespread potential applications, including proton beam cancer therapy and fast ignition for energy production. Typically, ion acceleration is achieved by focusing a high power laser on thin foil targets through a mechanism called Target Normal Sheath Acceleration. However, this mechanism is not ideal for creating the high-energy proton beams needed for future applications. Based on research and recent experiments, we hypothesized that a pure liquid cryogenic jet would be an ideal target for exploring new regimes of ion acceleration. Furthermore, it would provide a continuous, pure target, unlike metal foils which are consumed in the interaction and easily contaminated. In an effort to test this hypothesis, we used the 527 nm split beam, frequency-doubled TITAN laser at JLF. Data from the cryogenic jets was limited due to the flow of current up the jet into the nozzle during the interaction, heating the jet and damaging the orifice. However, we achieved a pure proton beam with evidence of a monoenergetic feature. Furthermore, data from gold and carbon wires showed surprising and interesting results. Preliminary analysis of data from two ion emission diagnostics, Thomson parabola spectrometers (TPs) and radio chromic films (RCFs), suggests that shockwave acceleration occurred rather than target normal sheath acceleration, the standard mechanism of ion acceleration. Upon completion of the experiment at TITAN, I researched the possibility of transforming our liquid cryogenic

  4. Ion Acceleration by Laser Plasma Interaction from Cryogenic Microjets

    International Nuclear Information System (INIS)

    Propp, Adrienne

    2015-01-01

    Processes that occur in extreme conditions, such as in the center of stars and large planets, can be simulated in the laboratory using facilities such as SLAC National Accelerator Laboratory and the Jupiter Laser Facility (JLF) at Lawrence Livermore National Laboratory (LLNL). These facilities allow scientists to investigate the properties of matter by observing their interactions with high-power lasers. Ion acceleration from laser plasma interaction is gaining greater attention today due to its widespread potential applications, including proton beam cancer therapy and fast ignition for energy production. Typically, ion acceleration is achieved by focusing a high power laser on thin foil targets through a mechanism called Target Normal Sheath Acceleration. However, this mechanism is not ideal for creating the high-energy proton beams needed for future applications. Based on research and recent experiments, we hypothesized that a pure liquid cryogenic jet would be an ideal target for exploring new regimes of ion acceleration. Furthermore, it would provide a continuous, pure target, unlike metal foils which are consumed in the interaction and easily contaminated. In an effort to test this hypothesis, we used the 527 nm split beam, frequency-doubled TITAN laser at JLF. Data from the cryogenic jets was limited due to the flow of current up the jet into the nozzle during the interaction, heating the jet and damaging the orifice. However, we achieved a pure proton beam with evidence of a monoenergetic feature. Furthermore, data from gold and carbon wires showed surprising and interesting results. Preliminary analysis of data from two ion emission diagnostics, Thomson parabola spectrometers (TPs) and radio chromic films (RCFs), suggests that shockwave acceleration occurred rather than target normal sheath acceleration, the standard mechanism of ion acceleration. Upon completion of the experiment at TITAN, I researched the possibility of transforming our liquid cryogenic

  5. Interactions in ion pairs of protic ionic liquids: Comparison with aprotic ionic liquids

    International Nuclear Information System (INIS)

    Tsuzuki, Seiji; Shinoda, Wataru; Miran, Md. Shah; Kinoshita, Hiroshi; Yasuda, Tomohiro; Watanabe, Masayoshi

    2013-01-01

    The stabilization energies for the formation (E form ) of 11 ion pairs of protic and aprotic ionic liquids were studied by MP2/6-311G ** level ab initio calculations to elucidate the difference between the interactions of ions in protic ionic liquids and those in aprotic ionic liquids. The interactions in the ion pairs of protic ionic liquids (diethylmethylammonium [dema] and dimethylpropylammonium [dmpa] based ionic liquids) are stronger than those of aprotic ionic liquids (ethyltrimethylammonium [etma] based ionic liquids). The E form for the [dema][CF 3 SO 3 ] and [dmpa][CF 3 SO 3 ] complexes (−95.6 and −96.4 kcal/mol, respectively) are significantly larger (more negative) than that for the [etma][CF 3 SO 3 ] complex (−81.0 kcal/mol). The same trend was observed for the calculations of ion pairs of the three cations with the Cl − , BF 4 − , TFSA − anions. The anion has contact with the N–H bond of the dema + or dmpa + cations in the most stable geometries of the dema + and dmpa + complexes. The optimized geometries, in which the anions locate on the counter side of the cations, are 11.0–18.0 kcal/mol less stable, which shows that the interactions in the ions pairs of protic ionic liquids have strong directionality. The E form for the less stable geometries for the dema + and dmpa + complexes are close to those for the most stable etma + complexes. The electrostatic interaction, which is the major source of the attraction in the ion pairs, is responsible for the directionality of the interactions and determining the magnitude of the interaction energy. Molecular dynamic simulations of the [dema][TFSA] and [dmpa][TFSA] ionic liquids show that the N–H bonds of the cations have contact with the negatively charged (oxygen and nitrogen) atoms of TFSA − anion, while the strong directionality of the interactions was not suggested from the simulation of the [etma][CF 3 SO 3 ] ionic liquid

  6. Experimental and theoretical data on ion-molecule-reactions relevant for plasma modelling

    International Nuclear Information System (INIS)

    Hansel, A.; Praxmarer, C.; Lindinger, W.

    1995-01-01

    Despite the fact that the rate coefficients of hundreds of ion-molecule-reactions have been published in the literature, much more data are required for the purpose of plasma modelling. Many ion molecule reactions have rate coefficients, k, as large as the collisional limiting value, k c , i.e. the rate coefficients k c at which ion-neutral collision complexes are formed are close to the actual rate coefficients observed. In the case of the interaction of an ion with a non polar molecule, k c , is determined by the Langevin limiting value k L being typically 10 -9 cm 3 s -1 . However, when ions react with polar molecules k c is predicted by the average dipole orientation (ADO) theory. These classical theories yield accurate rate coefficients at thermal and elevated temperatures for practically all proton transfer as well as for many charge transfer and hydrogen abstraction reactions. The agreement between experimental and calculated values is usually better than ±20% and in the case of proton transfer reactions the agreement seems to be even better as recent investigations have shown. Even the interaction of the permanent ion dipole with non polar and polar neutrals can be taken into account to predict reaction rate coefficients as has been shown very recently in reactions of the highly polar ion ArH 3 + with various neutrals

  7. Possible mechanisms for the interaction of polymeric composite resins with Cu(II) ions in aqueous solution

    International Nuclear Information System (INIS)

    El-Zahhhar, A.A.; Abdel-Aziz, H.M.; Siyam, T.

    2005-01-01

    The interaction between the active groups of polymeric composite resins such as Poly(acrylamide-acrylic acid)-ethylenediaminetetra acetic acid disodium salt P(AM-AA)EDTANa 2 , Poly(acrylamide-acrylic acid)- montmorillonite P(AM-AA)-montmorillonite, and Poly(acrylamide-acrylic acid)-potassium nickel hexacyanoferrate P(AM-AA)-KNiHCF, with copper sulfate as a test ion has been studied. The spectroscopic studies show that the mechanism of interaction between polymeric composite resins and copper sulfate is a bond formation between the active groups of polymeric chains and copper ion. The bond formation depends on nature of polymeric chains. It was also found that the amide groups form complexes with hydrated cations, while carboxylate group interact by ion exchange mechanism through complex formation. Montmorillonite and hexacyanoferrate of the resins interact with metal ions by ion exchange mechanism

  8. Modeling reactive geochemical transport of concentrated aqueous solutions in variably saturated media

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin

    2004-01-28

    Concentrated aqueous solutions (CAS) have unique thermodynamic and physical properties. Chemical components in CAS are incompletely dissociated, especially those containing divalent or polyvalent ions. The problem is further complicated by the interaction between CAS flow processes and the naturally heterogeneous sediments. As the CAS migrates through the porous media, the composition may be altered subject to fluid-rock interactions. To effectively model reactive transport of CAS, we must take into account ion-interaction. A combination of the Pitzer ion-interaction and the ion-association model would be an appropriate way to deal with multiple-component systems if the Pitzer' parameters and thermodynamic data of dissolved components and the related minerals are available. To quantify the complicated coupling of CAS flow and transport, as well as the involved chemical reactions in natural and engineered systems, we have substantially extended an existing reactive biogeochemical transport code, BIO-CORE{sup 2D}{copyright}, by incorporating a comprehensive Pitzer ion-interaction model. In the present paper, the model, and two test cases against measured data were briefly introduced. Finally we present an application to simulate a laboratory column experiment studying the leakage of the high alkaline waste fluid stored in Hanford (a site of the U.S. Department of Energy, located in Washington State, USA). With the Pitzer ion-interaction ionic activity model, our simulation captures measured pH evolution. The simulation indicates that all the reactions controlling the pH evolution, including cation exchanges, mineral precipitation and dissolution, are coupled.

  9. Non-planar ion-acoustic solitary waves and their head-on collision in a plasma with nonthermal electrons and warm adiabatic ions

    Energy Technology Data Exchange (ETDEWEB)

    Han Jiuning; He Yonglin; Chen Yan; Zhang Kezhi; Ma Baohong [College of Physics and Electromechanical Engineering, Hexi University, Zhangye 734000 (China)

    2013-01-15

    By using the model of Cairns et al.[Geophys. Rev. Lett. 22, 2709 (1995)], the head-on collision of cylindrical/spherical ion-acoustic solitary waves in an unmagnetized non-planar plasma consisting of warm adiabatic ions and nonthermally distributed electrons is investigated. The extended Poincare-Lighthill-Kuo perturbation method is used to derive the modified Korteweg-de Vries equations for ion-acoustic solitary waves in this plasma system. The effects of the plasma geometry m, the ion to electron temperature ratio {sigma}, and the nonthermality of the electron distribution {alpha} on the interaction of the colliding solitary waves are studied. It is found that the plasma geometries have a big impact on the phase shifts of solitary waves. Also it is important to note that the phase shifts induced by the collision of compressive and rarefactive solitary waves are very different. We point out that this study is useful to the investigations about the observations of electrostatic solitary structures in astrophysical as well as in experimental plasmas with nonthermal energetic electrons.

  10. Modeling the Electrostatics of Hollow Shell Suspensions: Ion Distribution, Pair Interactions, and Many-Body Effects.

    Science.gov (United States)

    Hallez, Yannick; Meireles, Martine

    2016-10-11

    Electrostatic interactions play a key role in hollow shell suspensions as they determine their structure, stability, thermodynamics, and rheology and also the loading capacity of small charged species for nanoreservoir applications. In this work, fast, reliable modeling strategies aimed at predicting the electrostatics of hollow shells for one, two, and many colloids are proposed and validated. The electrostatic potential inside and outside a hollow shell with a finite thickness and a specific permittivity is determined analytically in the Debye-Hückel (DH) limit. An expression for the interaction potential between two such hollow shells is then derived and validated numerically. It follows a classical Yukawa form with an effective charge depending on the shell geometry, permittivity, and inner and outer surface charge densities. The predictions of the Ornstein-Zernike (OZ) equation with this pair potential to determine equations of state are then evaluated by comparison to results obtained with a Brownian dynamics algorithm coupled to the resolution of the linearized Poisson-Boltzmann and Laplace equations (PB-BD simulations). The OZ equation based on the DLVO-like potential performs very well in the dilute regime as expected, but also quite well, and more surprisingly, in the concentrated regime in which full spheres exhibit significant many-body effects. These effects are shown to vanish for shells with small thickness and high permittivity. For highly charged hollow shells, we propose and validate a charge renormalization procedure. Finally, using PB-BD simulations, we show that the cell model predicts the ion distribution inside and outside hollow shells accurately in both electrostatically dilute and concentrated suspensions. We then determine the shell loading capacity as a function of salt concentration, volume fraction, and surface charge density for nanoreservoir applications such as drug delivery, sensing, or smart coatings.

  11. Intuitionistic preference modeling and interactive decision making

    CERN Document Server

    Xu, Zeshui

    2014-01-01

    This book offers an in-depth and comprehensive introduction to the priority methods of intuitionistic preference relations, the consistency and consensus improving procedures for intuitionistic preference relations, the approaches to group decision making based on intuitionistic preference relations, the approaches and models for interactive decision making with intuitionistic fuzzy information, and the extended results in interval-valued intuitionistic fuzzy environments.

  12. A model for the build-up of disordered material in ion bombarded Si

    International Nuclear Information System (INIS)

    Nelson, R.S.

    1977-01-01

    A new model based on experimental observation is developed for the build-up of disordered material in ion bombarded silicon. The model assumes that disordered zones are created in a background of migrating point defects, these zones then act as neutral sinks for such defects which interact with the zones and cause recrystallization. A simple steady state rate theory is developed to describe the build-up of disordered material with ion dose as a function of temperature. In general the theory predicts two distinct behaviour patterns depending on the temperature and the ion mass, namely a linear build-up with dose to complete disorder for heavy bombarding ions and a build-up to saturation at a relatively low level for light ions such as protons. However, in some special circumstances a transition region is predicted where the build-up of disorder approximately follows a (dose)sup(1/2) relationship before reverting to a linear behaviour at high dose. (author)

  13. Free energy of RNA-counterion interactions in a tight-binding model computed by a discrete space mapping

    International Nuclear Information System (INIS)

    Henke, Paul S.; Mak, Chi H.

    2014-01-01

    The thermodynamic stability of a folded RNA is intricately tied to the counterions and the free energy of this interaction must be accounted for in any realistic RNA simulations. Extending a tight-binding model published previously, in this paper we investigate the fundamental structure of charges arising from the interaction between small functional RNA molecules and divalent ions such as Mg 2+ that are especially conducive to stabilizing folded conformations. The characteristic nature of these charges is utilized to construct a discretely connected energy landscape that is then traversed via a novel application of a deterministic graph search technique. This search method can be incorporated into larger simulations of small RNA molecules and provides a fast and accurate way to calculate the free energy arising from the interactions between an RNA and divalent counterions. The utility of this algorithm is demonstrated within a fully atomistic Monte Carlo simulation of the P4-P6 domain of the Tetrahymena group I intron, in which it is shown that the counterion-mediated free energy conclusively directs folding into a compact structure

  14. Free energy of RNA-counterion interactions in a tight-binding model computed by a discrete space mapping

    Energy Technology Data Exchange (ETDEWEB)

    Henke, Paul S. [Department of Chemistry, University of Southern California, Los Angeles, California 90089 (United States); Mak, Chi H., E-mail: cmak@usc.edu [Department of Chemistry, University of Southern California, Los Angeles, California 90089 (United States); Center of Applied Mathematical Sciences, University of Southern California, Los Angeles, California 90089 (United States)

    2014-08-14

    The thermodynamic stability of a folded RNA is intricately tied to the counterions and the free energy of this interaction must be accounted for in any realistic RNA simulations. Extending a tight-binding model published previously, in this paper we investigate the fundamental structure of charges arising from the interaction between small functional RNA molecules and divalent ions such as Mg{sup 2+} that are especially conducive to stabilizing folded conformations. The characteristic nature of these charges is utilized to construct a discretely connected energy landscape that is then traversed via a novel application of a deterministic graph search technique. This search method can be incorporated into larger simulations of small RNA molecules and provides a fast and accurate way to calculate the free energy arising from the interactions between an RNA and divalent counterions. The utility of this algorithm is demonstrated within a fully atomistic Monte Carlo simulation of the P4-P6 domain of the Tetrahymena group I intron, in which it is shown that the counterion-mediated free energy conclusively directs folding into a compact structure.

  15. Interaction of a finite-length ion beam with a background plasma: Reflected ions at the quasi-parallel bow shock

    International Nuclear Information System (INIS)

    Onsager, T.G.; Winske, D.; Thomsen, M.F.

    1991-01-01

    The coupling of a finite-length, field-aligned, ion beam with a uniform background plasma is investigated using one-dimensional hybrid computer simulations. The finite-length beam is used to study the interaction between the incident solar wind and ions reflected from the Earth's quasi-parallel bow shock, where the reflection process may vary with time. The coupling between the reflected ions and the solar wind is relevant to ion heating at the bow shock and possibly to the formation of hot, flow anomalies and re-formation of the shock itself. The authors find that although there are many similarities between the instabilities driven by the finite-length beam and those predicted by linear theory for an infinite, homogeneous beam, there are also some important differences. Consistent with linear theory, the waves which dominate the interaction are the electromagnetic right-hand polarized resonant and nonresonant modes. However, in addition to the instability growth rates, the length of time that the waves are in contact with the beam is also an important factor in determining which wave mode will dominate the interaction. Whereas linear theory predicts the nonresonant mode to have the larger growth rate for the parameters they investigate, with finite-length beam they find that both the nonresonant and resonant modes contribute to the interaction. They find that the interaction will result in strong coupling, where a significant fraction of the available free energy is converted into thermal energy in a short time, provided the beam is sufficiently dense or sufficiently long

  16. Interaction of antihypertensive drug amiloride with metal ions in micellar medium using fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gujar, Varsha; Pundge, Vijaykumar; Ottoor, Divya, E-mail: divya@chem.unipune.ac.in

    2015-05-15

    Steady state and life time fluorescence spectroscopy have been employed to study the interaction of antihypertensive drug amiloride with biologically important metal ions i.e. Cu{sup 2+}, Fe{sup 2+}, Ni{sup 2+} and Zn{sup 2+} in various micellar media (anionic SDS (sodium dodecyl sulfate), nonionic TX-100 (triton X-100) and cationic CTAB (cetyl trimethyl ammonium bromide)). It was observed that fluorescence properties of drug remain unaltered in the absence of micellar media with increasing concentration of metal ions. However, addition of Cu{sup 2+}, Fe{sup 2+} and Ni{sup 2+} caused fluorescence quenching of amiloride in the presence of anionic micelle, SDS. Binding of drug with metal ions at the charged micellar interface could be the possible reason for this pH-dependent metal-mediated fluorescence quenching. There were no remarkable changes observed due to metal ions addition when drug was present in cationic and nonionic micellar medium. The binding constant and bimolecular quenching constant were evaluated and compared for the drug–metal complexes using Stern–Volmer equation and fluorescence lifetime values. - Highlights: • Interaction of amiloride with biologically important metal ions, Fe{sup 2+}, Cu{sup 2+}, Ni{sup 2+} and Zn{sup 2+}. • Monitoring the interaction in various micelle at different pH by fluorescence spectroscopy. • Micelles acts as receptor, amiloride as transducer and metal ions as analyte in the present system. • Interaction study provides pH dependent quenching and binding mechanism of drug with metal ions.

  17. Interaction of antihypertensive drug amiloride with metal ions in micellar medium using fluorescence spectroscopy

    International Nuclear Information System (INIS)

    Gujar, Varsha; Pundge, Vijaykumar; Ottoor, Divya

    2015-01-01

    Steady state and life time fluorescence spectroscopy have been employed to study the interaction of antihypertensive drug amiloride with biologically important metal ions i.e. Cu 2+ , Fe 2+ , Ni 2+ and Zn 2+ in various micellar media (anionic SDS (sodium dodecyl sulfate), nonionic TX-100 (triton X-100) and cationic CTAB (cetyl trimethyl ammonium bromide)). It was observed that fluorescence properties of drug remain unaltered in the absence of micellar media with increasing concentration of metal ions. However, addition of Cu 2+ , Fe 2+ and Ni 2+ caused fluorescence quenching of amiloride in the presence of anionic micelle, SDS. Binding of drug with metal ions at the charged micellar interface could be the possible reason for this pH-dependent metal-mediated fluorescence quenching. There were no remarkable changes observed due to metal ions addition when drug was present in cationic and nonionic micellar medium. The binding constant and bimolecular quenching constant were evaluated and compared for the drug–metal complexes using Stern–Volmer equation and fluorescence lifetime values. - Highlights: • Interaction of amiloride with biologically important metal ions, Fe 2+ , Cu 2+ , Ni 2+ and Zn 2+ . • Monitoring the interaction in various micelle at different pH by fluorescence spectroscopy. • Micelles acts as receptor, amiloride as transducer and metal ions as analyte in the present system. • Interaction study provides pH dependent quenching and binding mechanism of drug with metal ions

  18. Cytokine–Ion Channel Interactions in Pulmonary Inflammation

    Science.gov (United States)

    Hamacher, Jürg; Hadizamani, Yalda; Borgmann, Michèle; Mohaupt, Markus; Männel, Daniela Narcissa; Moehrlen, Ueli; Lucas, Rudolf; Stammberger, Uz

    2018-01-01

    The lungs conceptually represent a sponge that is interposed in series in the bodies’ systemic circulation to take up oxygen and eliminate carbon dioxide. As such, it matches the huge surface areas of the alveolar epithelium to the pulmonary blood capillaries. The lung’s constant exposure to the exterior necessitates a competent immune system, as evidenced by the association of clinical immunodeficiencies with pulmonary infections. From the in utero to the postnatal and adult situation, there is an inherent vital need to manage alveolar fluid reabsorption, be it postnatally, or in case of hydrostatic or permeability edema. Whereas a wealth of literature exists on the physiological basis of fluid and solute reabsorption by ion channels and water pores, only sparse knowledge is available so far on pathological situations, such as in microbial infection, acute lung injury or acute respiratory distress syndrome, and in the pulmonary reimplantation response in transplanted lungs. The aim of this review is to discuss alveolar liquid clearance in a selection of lung injury models, thereby especially focusing on cytokines and mediators that modulate ion channels. Inflammation is characterized by complex and probably time-dependent co-signaling, interactions between the involved cell types, as well as by cell demise and barrier dysfunction, which may not uniquely determine a clinical picture. This review, therefore, aims to give integrative thoughts and wants to foster the unraveling of unmet needs in future research. PMID:29354115

  19. Interaction of elaiophylin with model bilayer membrane

    Science.gov (United States)

    Genova, J.; Dencheva-Zarkova, M.

    2017-01-01

    Elaiophylin is a new macrodiolide antibiotic, which is produced by the Streptomyces strains [1]. It displays biological activities against Gram-positive bacteria and fungi. The mode of action of this antibiotic has been attributed to an alteration of the membrane permeability. When this antibiotic is inserted into the bilayer membranes destabilization of the membrane and formation of ion-penetrable channels is observed. The macrodiolide antibiotic forms stable cation selective ion channels in synthetic lipid bilayer membranes. The aim of this work was to study the interactions of Elaiophylin with model bilayer membranes and to get information on the mechanical properties of lipid bilayers in presence of this antibiotic. Patch-clamp technique [2] were used in the study

  20. Elastic and radiative heavy quark interactions in ultra-relativistic heavy-ion collisions

    International Nuclear Information System (INIS)

    Uphoff, Jan; Fochler, Oliver; Xu, Zhe; Greiner, Carsten

    2015-01-01

    Elastic and radiative heavy quark interactions with light partons are studied with the partonic transport model named the Boltzmann approach to multiparton scatterings (BAMPSs). After calculating the cross section of radiative processes for finite masses in the improved Gunion–Bertsch approximation and verifying this calculation by comparing to the exact result, we study elastic and radiative heavy quark energy loss in a static medium of quarks and gluons. Furthermore, the full 3 + 1D space–time evolution of gluons, light quarks, and heavy quarks in ultra-relativistic heavy-ion collisions at the BNL Relativistic Heavy-Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC) are calculated with BAMPS including elastic and radiative heavy flavor interactions. Treating light and heavy particles on the same footing in the same framework, we find that the experimentally measured nuclear modification factor of charged hadrons and D mesons at the LHC can be simultaneously described. In addition, we calculate the heavy flavor evolution with an improved screening procedure from hard-thermal-loop calculations and confront the results with experimental data of the nuclear modification factor and the elliptic flow of heavy flavor particles at the RHIC and the LHC. (paper)

  1. Extended Jiles-Atherton model for modelling the magnetic characteristics of isotropic materials

    International Nuclear Information System (INIS)

    Szewczyk, Roman; Bienkowski, Adam; Salach, Jacek

    2008-01-01

    This paper presents the idea of the extension of the Jiles-Atherton model applied for modelling of the magnetic characteristics of Mn-Zn, as well as Ni-Zn ferrites. The presented extension of the model takes into account changes of the parameter k during the magnetisation process, what is physically judged. The extended Jiles-Atherton model gives novel possibility of modelling the hysteresis loops of isotropic materials. For one set of the extended model parameters, a good agreement between experimental data and modelled hysteresis loops is observed, for different values of maximal magnetising field. As a result, the extended Jiles-Atherton model presented in the paper may be applied for both technical applications and fundamental research, focused on understanding the physical aspects of the magnetisation process of anisotropic soft magnetic materials

  2. A new three-particle-interaction model to predict the thermodynamic properties of different electrolytes

    International Nuclear Information System (INIS)

    Ge Xinlei; Wang Xidong; Zhang Mei; Seetharaman, Seshadri

    2007-01-01

    In this study, Guggenheim charging process, which involves the radial Boltzmann distribution, was introduced to develop a new predictive model with three parameters, ion-ion distance parameter, ion-solvent parameter, and solvation parameter. In this model, the ion-ion and ion-solvent molecule interaction are all included in the charging process, and it is independent of the temperature and solvent. This new model was applied to correlate the experimental data from literatures for 208 electrolytes aqueous solution at T = 298.15 K of which the concentration range is wide. The calculated results agreed well with the experimental ones for most electrolytes, especially for the prediction in high ionic strength. The estimation of solvation parameter S also gave that the solvation tendency for cations and anions follow a trend, which is in consistent with results published in literature. Investigations were also been made in calculations for electrolytes solutions at other temperatures and non-aqueous system, which proved this model was also feasible

  3. Experimental observations on long pulse intense ion diode operation

    International Nuclear Information System (INIS)

    Prono, D.S.; Clark, R.; Prestwich, K.

    1976-01-01

    An experiment in which a long pulse electron beam diode is converted to a reflex ion diode is reported. The results further substantiate the model of reflex ion diode behavior as well as extend the duration of ion mode operation to greater than 500 nsec

  4. Learning ion-solid interactions hands-on: An activity based, inquiry oriented, graduate course

    International Nuclear Information System (INIS)

    Braunstein, Gabriel

    2005-01-01

    Experimental work, using state of the art instrumentation, is integrated with lectures in a 'real life', learning by discovery approach, in the Ion-Solid Interactions graduate/undergraduate course offered by the Department of Physics of University of Central Florida. The lecture component of the course covers the underlying physical principles, and related scientific and technological applications, associated with the interaction of energetic ions with matter. In the experimental section the students form small groups and perform a variety of projects, experimental and computational, as part of a participative, inquiry oriented, learning process. In the most recent offering of the class, the students deposited a compound semiconductor thin film by dual-gun sputtering deposition, where each group aimed at a different stoichiometry of the same compound (Zn 1-x S x O y ). Then they analyzed the composition using Rutherford backscattering spectrometry, measured electrical transport properties using Hall effect and conductivity measurements, and determined the band gap using spectrophotometry. Finally the groups shared their results and each wrote a 'journal-like' technical article describing the entire work. In a different assignment, each group also developed a Monte Carlo computer program ('TRIM-like') to simulate the penetration of ions into a solid, in ion implantation, calculating the stopping cross-sections with approximate models, taught in class, which can be analytically solved. The combination of classroom/laboratory activities is very well received by the students. They gain real life experience operating state of the art equipment, and working in teams, while performing research-like projects, and simultaneously they learn the theoretical foundations of the discipline

  5. Ion beam profiling from the interaction with a freestanding 2D layer

    Directory of Open Access Journals (Sweden)

    Ivan Shorubalko

    2017-03-01

    Full Text Available Recent years have seen a great potential of the focused ion beam (FIB technology for the nanometer-scale patterning of a freestanding two-dimensional (2D layer. Experimentally determined sputtering yields of the perforation process can be quantitatively explained using the binary collision theory. The main peculiarity of the interaction between the ion beams and the suspended 2D material lies in the absence of collision cascades, featured by no interaction volume. Thus, the patterning resolution is directly set by the beam diameters. Here, we demonstrate pattern resolution beyond the beam size and precise profiling of the focused ion beams. We find out that FIB exposure time of individual pixels can influence the resultant pore diameter. In return, the pore dimension as a function of the exposure dose brings out the ion beam profiles. Using this method of determining an ion-beam point spread function, we verify a Gaussian profile of focused gallium ion beams. Graphene sputtering yield is extracted from the normalization of the measured Gaussian profiles, given a total beam current. Interestingly, profiling of unbeknown helium ion beams in this way results in asymmetry of the profile. Even triangular beam shapes are observed at certain helium FIB conditions, possibly attributable to the trimer nature of the beam source. Our method of profiling ion beams with 2D-layer perforation provides more information on ion beam profiles than the conventional sharp-edge scan method does.

  6. Building and testing models with extended Higgs sectors

    Science.gov (United States)

    Ivanov, Igor P.

    2017-07-01

    Models with non-minimal Higgs sectors represent a mainstream direction in theoretical exploration of physics opportunities beyond the Standard Model. Extended scalar sectors help alleviate difficulties of the Standard Model and lead to a rich spectrum of characteristic collider signatures and astroparticle consequences. In this review, we introduce the reader to the world of extended Higgs sectors. Not pretending to exhaustively cover the entire body of literature, we walk through a selection of the most popular examples: the two- and multi-Higgs-doublet models, as well as singlet and triplet extensions. We will show how one typically builds models with extended Higgs sectors, describe the main goals and the challenges which arise on the way, and mention some methods to overcome them. We will also describe how such models can be tested, what are the key observables one focuses on, and illustrate the general strategy with a subjective selection of results.

  7. Interaction of low-energy highly charged ions with matter

    International Nuclear Information System (INIS)

    Ginzel, Rainer

    2010-01-01

    The thesis presented herein deals with experimental studies of the interaction between highly charged ions and neutral matter at low collision energies. The energy range investigated is of great interest for the understanding of both charge exchange reactions between ions comprising the solar wind and various astrophysical gases, as well as the creation of near-surface nanostructures. Over the course of this thesis an experimental setup was constructed, capable of reducing the kinetic energy of incoming ions by two orders of magnitude and finally focussing the decelerated ion beam onto a solid or gaseous target. A coincidence method was employed for the simultaneous detection of photons emitted during the charge exchange process together with the corresponding projectile ions. In this manner, it was possible to separate reaction channels, whose superposition presumably propagated large uncertainties and systematic errors in previous measurements. This work has unveiled unexpectedly strong contributions of slow radiative decay channels and clear evidence of previously only postulated decay processes in charge exchange-induced X-ray spectra. (orig.)

  8. Interaction of slow and highly charged ions with surfaces: formation of hollow atoms

    Energy Technology Data Exchange (ETDEWEB)

    Stolterfoht, N; Grether, M; Spieler, A; Niemann, D [Hahn-Meitner Institut, Berlin (Germany). Bereich Festkoerperphysik; Arnau, A

    1997-03-01

    The method of Auger spectroscopy was used to study the interaction of highly charged ions with Al and C surfaces. The formation of hollow Ne atoms in the first surface layers was evaluated by means of a Density Functional theory including non-linear screening effects. The time-dependent filling of the hollow atom was determined from a cascade model yielding information about the structure of the K-Auger spectra. Variation of total intensities of the L- and K-Auger peaks were interpreted by the cascade model in terms of attenuation effects on the electrons in the solid. (author)

  9. Modified Thomson spectrometer design for high energy, multi-species ion sources

    International Nuclear Information System (INIS)

    Gwynne, D.; Kar, S.; Doria, D.; Ahmed, H.; Hanton, F.; Cerchez, M.; Swantusch, M.; Willi, O.; Fernandez, J.; Gray, R. J.; MacLellan, D. A.; McKenna, P.; Green, J. S.; Neely, D.; Najmudin, Z.; Streeter, M.; Ruiz, J. A.; Schiavi, A.; Zepf, M.; Borghesi, M.

    2014-01-01

    A modification to the standard Thomson parabola spectrometer is discussed, which is designed to measure high energy (tens of MeV/nucleon), broad bandwidth spectra of multi-species ions accelerated by intense laser plasma interactions. It is proposed to implement a pair of extended, trapezoidal shaped electric plates, which will not only resolve ion traces at high energies, but will also retain the lower energy part of the spectrum. While a longer (along the axis of the undeflected ion beam direction) electric plate design provides effective charge state separation at the high energy end of the spectrum, the proposed new trapezoidal shape will enable the low energy ions to reach the detector, which would have been clipped or blocked by simply extending the rectangular plates to enhance the electrostatic deflection

  10. A more general interacting model of holographic dark energy

    International Nuclear Information System (INIS)

    Yu Fei; Zhang Jingfei; Lu Jianbo; Wang Wei; Gui Yuanxing

    2010-01-01

    So far, there have been no theories or observational data that deny the presence of interaction between dark energy and dark matter. We extend naturally the holographic dark energy (HDE) model, proposed by Granda and Oliveros, in which the dark energy density includes not only the square of the Hubble scale, but also the time derivative of the Hubble scale to the case with interaction and the analytic forms for the cosmic parameters are obtained under the specific boundary conditions. The various behaviors concerning the cosmic expansion depend on the introduced numerical parameters which are also constrained. The more general interacting model inherits the features of the previous ones of HDE, keeping the consistency of the theory.

  11. A linear ion optics model for extraction from a plasma ion source

    International Nuclear Information System (INIS)

    Dietrich, J.

    1987-01-01

    A linear ion optics model for ion extraction from a plasma ion source is presented, based on the paraxial equations which account for lens effects, space charge and finite source ion temperature. This model is applied to three- and four-electrode extraction systems with circular apertures. The results are compared with experimental data and numerical calculations in the literature. It is shown that the improved calculations of space charge effects and lens effects allow better agreement to be obtained than in earlier linear optics models. A principal result is that the model presented here describes the dependence of the optimum perveance on the aspect ratio in a manner similar to the nonlinear optics theory. (orig.)

  12. Direct observation of interaction between plasma ions and grid-excited pulses in a Q-machine

    DEFF Research Database (Denmark)

    Andersen, S.A.; Jensen, Vagn Orla; Michelsen, Poul

    1970-01-01

    The change in velocity-distribution function caused by interaction between ions and density pulses in a Q-machine is observed experimentally.......The change in velocity-distribution function caused by interaction between ions and density pulses in a Q-machine is observed experimentally....

  13. Metal ion interaction with phosphorylated tyrosine analogue monolayers on gold.

    Science.gov (United States)

    Petoral, Rodrigo M; Björefors, Fredrik; Uvdal, Kajsa

    2006-11-23

    Phosphorylated tyrosine analogue molecules (pTyr-PT) were assembled onto gold substrates, and the resulting monolayers were used for metal ion interaction studies. The monolayers were characterized by X-ray photoelectron spectroscopy (XPS), infrared reflection-absorption spectroscopy (IRAS), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS), both prior to and after exposure to metal ions. XPS verified the elemental composition of the molecular adsorbate and the presence of metal ions coordinated to the phosphate groups. Both the angle-dependent XPS and IRAS results were consistent with the change in the structural orientation of the pTyr-PT monolayer upon exposure to metal ions. The differential capacitance of the monolayers upon coordination of the metal ions was evaluated using EIS. These metal ions were found to significantly change the capacitance of the pTyr-PT monolayers in contrast to the nonphosphorylated tyrosine analogue (TPT). CV results showed reduced electrochemical blocking capabilities of the phosphorylated analogue monolayer when exposed to metal ions, supporting the change in the structure of the monolayer observed by XPS and IRAS. The largest change in the structure and interfacial capacitance was observed for aluminum ions, compared to calcium, magnesium, and chromium ions. This type of monolayer shows an excellent capability to coordinate metal ions and has a high potential for use as sensing layers in biochip applications to monitor the presence of metal ions.

  14. Observation of large-amplitude ion acoustic wave in microwave-plasma interaction experiments

    International Nuclear Information System (INIS)

    Yugami, Noboru; Nishida, Yasushi

    1997-01-01

    Large amplitude ion acoustic wave, which is not satisfied with a linear dispersion relationship of ion acoustic wave, is observed in microwave-plasma interaction experiments. This ion acoustic wave is excited around critical density layer and begins to propagate to underdense region with a phase velocity one order faster than sound velocity C s , which is predicted by the linear theory, the phase velocity and the wave length of the wave decreases as it propagates. Finally, it converges to C s and strongly dumps. Diagnostic by the Faraday cup indicates that this ion acoustic wave is accompanied with a hot ion beam. (author)

  15. Plasma-wall interactions

    International Nuclear Information System (INIS)

    Behrisch, Rainer

    1978-01-01

    The plasma wall interactions for two extreme cases, the 'vacuum model' and the 'cold gas blanket' are outlined. As a first step for understanding the plasma wall interactions the elementary interaction processes at the first wall are identified. These are energetic ion and neutral particle trapping and release, ion and neutral backscattering, ion sputtering, desorption by ions, photons and electrons and evaporation. These processes have only recently been started to be investigated in the parameter range of interest for fusion research. The few measured data and their extrapolation into regions not yet investigated are reviewed

  16. Simple collision operators for direct Vlasov simulations of laser plasma interaction and transport

    International Nuclear Information System (INIS)

    Arber, T D; Sircombe, N J

    2010-01-01

    Non-local electron transport effects have a direct influence on the compression of cryogenic targets in laser driven ICF and target heating in high energy density experiments. There is a growing need for self-consistent models of laser plasma interactions coupled to nonlocal transport. We present a direct Vlasov solver that includes multiple species and a simple collision operator. This BGK model operator - which conserves particle density, energy and momentum - is fully implicit. For collisionless plasmas it has been shown that a double layer may be formed in which an accelerated, kinetic ion population satisfies the zero current condition. Here we extend this result to collisionalities of interest to laser driven ignition to assess the validity of nonlocal electron transport models based on fluid ions.

  17. Application of retention modelling to the simulation of separation of organic anions in suppressed ion chromatography.

    Science.gov (United States)

    Zakaria, Philip; Dicinoski, Greg W; Ng, Boon Khing; Shellie, Robert A; Hanna-Brown, Melissa; Haddad, Paul R

    2009-09-18

    The ion-exchange separation of organic anions of varying molecular mass has been demonstrated using ion chromatography with isocratic, gradient and multi-step eluent profiles on commercially available columns with UV detection. A retention model derived previously for inorganic ions and based solely on electrostatic interactions between the analytes and the stationary phase was applied. This model was found to accurately describe the observed elution of all the anions under isocratic, gradient and multi-step eluent conditions. Hydrophobic interactions, although likely to be present to varying degrees, did not limit the applicability of the ion-exchange retention model. Various instrumental configurations were investigated to overcome problems associated with the use of organic modifiers in the eluent which caused compatibility issues with the electrolytically derived, and subsequently suppressed, eluent. The preferred configuration allowed the organic modifier stream to bypass the eluent generator, followed by subsequent mixing before entering the injection valve and column. Accurate elution prediction was achieved even when using 5-step eluent profiles with errors in retention time generally being less than 1% relative standard deviation (RSD) and all being less than 5% RSD. Peak widths for linear gradient separations were also modelled and showed good agreement with experimentally determined values.

  18. Thermodynamic model for the solubility of BaSeO4(cr) in the aqueous Ba2+-SeO42--Na+-H+-OH--H2O system. Extending to high selenate concentrations

    International Nuclear Information System (INIS)

    Rai, Dhanpat; Felmy, Andrew R.; Kitamura, Akira; Yoshikawa, Hideki; Doi, Reisuke; Yoshida, Yasushi; Moore, Dean A.

    2014-01-01

    The aqueous solubility of BaSeO 4 (cr) was studied at 23 ± 2 C as a function of Na 2 SeO 4 concentrations (0.0001 to 4.1 mol kg -1 ) and equilibration periods (3 to 596 d). The equilibrium, approached from both the under- and over-saturation directions, in this system was reached rather rapidly (≤ 3d). The SIT and Pitzer's ion-interaction models were used to interpret these data and the predictions based on both of these models agreed closely with the experimental data. Thermodynamic analyses of the data show that BaSeO 4 (cr) is the solubility-controlling phase for Na 2 SeO 4 concentrations -1 . The log 10 K 0 value for the BaSeO 4 (cr) solubility product (BaSeO 4 (cr) ↔ Ba 2+ + SeO 4 2- ) calculated by the SIT and Pitzer models were very similar (-7.32 ± 0.07 with Pitzer and -7.25 ± 0.11 with SIT). Although the BaSeO 4 (cr) solubility product and Ba concentrations as a function of Na 2 SeO 4 concentrations predicted by both the SIT and Pitzer models are similar, the models required different sets of fitting parameters. For examples, (1) interpretations using the SIT model required the inclusion of Ba(SeO 4 ) 2 2- species with log 10 K 0 = 3.44 ± 0.12 for the reaction (Ba 2+ + 2SeO 4 2- ↔ Ba(SeO 4 ) 2 2- ), whereas these species are not needed for Pitzer model, and (2) at Na 2 SeO 4 concentrations > 0.59 mol kg -1 it was also possible to calculate the value for log 10 K 0 for the solubility product of a proposed double salt (Na 2 Ba(SeO 4 ) 2 (s) ↔ 2Na + + Ba 2+ + 2SeO 4 2- ) which for the SIT model is -(8.70 ± 0.29) whereas for the Pitzer model it is -(9.19 ± 0.19). The ion-interaction/ion-association parameters hitherto unavailable for both the SIT and Pitzer models required to fit these extensive data extending to as high ionic strengths as 12.3 mol kg -1 were determined. The model developed in this study is consistent with all of the reliable literature data, which was also used to extend the model to barium concentrations as high as 0.22 mol kg

  19. Estimating spatial accessibility to facilities on the regional scale: an extended commuting-based interaction potential model

    Directory of Open Access Journals (Sweden)

    Charreire Hélène

    2011-01-01

    Full Text Available Abstract Background There is growing interest in the study of the relationships between individual health-related behaviours (e.g. food intake and physical activity and measurements of spatial accessibility to the associated facilities (e.g. food outlets and sport facilities. The aim of this study is to propose measurements of spatial accessibility to facilities on the regional scale, using aggregated data. We first used a potential accessibility model that partly makes it possible to overcome the limitations of the most frequently used indices such as the count of opportunities within a given neighbourhood. We then propose an extended model in order to take into account both home and work-based accessibility for a commuting population. Results Potential accessibility estimation provides a very different picture of the accessibility levels experienced by the population than the more classical "number of opportunities per census tract" index. The extended model for commuters increases the overall accessibility levels but this increase differs according to the urbanisation level. Strongest increases are observed in some rural municipalities with initial low accessibility levels. Distance to major urban poles seems to play an essential role. Conclusions Accessibility is a multi-dimensional concept that should integrate some aspects of travel behaviour. Our work supports the evidence that the choice of appropriate accessibility indices including both residential and non-residential environmental features is necessary. Such models have potential implications for providing relevant information to policy-makers in the field of public health.

  20. Ion-reversibility studies in amorphous solids using the two-atom scattering model

    International Nuclear Information System (INIS)

    Oen, O.S.

    1981-06-01

    An analytical two-atom scattering model has been developed to treat the recent discovery of the enhancement near 180 0 of Rutherford backscattering yields from disordered solids. In contrast to conventional calculations of Rutherford backscattering that treat scattering from a single atom only (the backscattering atom), the present model includes the interaction of a second atom lying between the target surface and the backscattering plane. The projectile ion makes a glancing collision with this second atom both before and after it is backscattered. The model predicts an enhancement effect whose physical origin arises from the tolerance of path for those ions whose inward and outward trajectories lie in the vicinity of the critical impact parameter. Results using Moliere scattering show how the yield enhancement depends on ion energy, backscattering depth, exit angle, scattering potential, atomic numbers of the projectile and target, and target density. In the model the critical impact parameter and critical angle play important roles. It is shown that these quantities depend on a single dimensionless parameter and analytical expressions for them are given which are accurate to better than 1%

  1. Extending Face-to-Face Interactions: Understanding and Developing an Online Teacher and Family Community

    Science.gov (United States)

    Zhang, Chun; Du, Jianxia; Sun, Li; Ding, Yi

    2018-01-01

    Technology has been quickly changing human interactions, traditional practices, and almost every aspect of our lives. It is important to maintain effective face-to-face communication and interactions between teachers and families. Nonetheless, technology and its tools can also extend and enhance family-teacher relationships and partnerships. This…

  2. Chemotherapy drugs form ion pores in membranes due to physical interactions with lipids.

    Science.gov (United States)

    Ashrafuzzaman, Mohammad; Tseng, Chih-Yuan; Duszyk, Marek; Tuszynski, Jack A

    2012-12-01

    We demonstrate the effects on membrane of the tubulin-binding chemotherapy drugs: thiocolchicoside and taxol. Electrophysiology recordings across lipid membranes in aqueous phases containing drugs were used to investigate the drug effects on membrane conductance. Molecular dynamics simulation of the chemotherapy drug-lipid complexes was used to elucidate the mechanism at an atomistic level. Both drugs are observed to induce stable ion-flowing pores across membranes. Discrete pore current-time plots exhibit triangular conductance events in contrast to rectangular ones found for ion channels. Molecular dynamics simulations indicate that drugs and lipids experience electrostatic and van der Waals interactions for short periods of time when found within each other's proximity. The energies from these two interactions are found to be similar to the energies derived theoretically using the screened Coulomb and the van der Waals interactions between peptides and lipids due to mainly their charge properties while forming peptide-induced ion channels in lipid bilayers. Experimental and in silico studies together suggest that the chemotherapy drugs induce ion pores inside lipid membranes due to drug-lipid physical interactions. The findings reveal cytotoxic effects of drugs on the cell membrane, which may aid in novel drug development for treatment of cancer and other diseases. © 2012 John Wiley & Sons A/S.

  3. Integrated tokamak modelling with the fast-ion Fokker–Planck solver adapted for transient analyses

    International Nuclear Information System (INIS)

    Toma, M; Hamamatsu, K; Hayashi, N; Honda, M; Ide, S

    2015-01-01

    Integrated tokamak modelling that enables the simulation of an entire discharge period is indispensable for designing advanced tokamak plasmas. For this purpose, we extend the integrated code TOPICS to make it more suitable for transient analyses in the fast-ion part. The fast-ion Fokker–Planck solver is integrated into TOPICS at the same level as the bulk transport solver so that the time evolutions of the fast ion and the bulk plasma are consistent with each other as well as with the equilibrium magnetic field. The fast-ion solver simultaneously handles neutral beam-injected ions and alpha particles. Parallelisation of the fast-ion solver in addition to its computational lightness owing to a dimensional reduction in the phase space enables transient analyses for long periods in the order of tens of seconds. The fast-ion Fokker–Planck calculation is compared and confirmed to be in good agreement with an orbit following a Monte Carlo calculation. The integrated code is applied to ramp-up simulations for JT-60SA and ITER to confirm its capability and effectiveness in transient analyses. In the integrated simulations, the coupled evolution of the fast ions, plasma profiles, and equilibrium magnetic fields are presented. In addition, the electric acceleration effect on fast ions is shown and discussed. (paper)

  4. Crystal nucleation initiated by transient ion-surface interactions at aerosol interfaces.

    Science.gov (United States)

    Davis, Ryan D; Tolbert, Margaret A

    2017-07-01

    Particle collisions are a common occurrence in the atmosphere, but no empirical observations exist to fully predict the potential effects of these collisions on air quality and climate projections. The current consensus of heterogeneous crystal nucleation pathways relevant to the atmosphere dictates that collisions with amorphous particles have no effect on the crystallization relative humidity (RH) of aqueous inorganic aerosols because there is no stabilizing ion-surface interaction to facilitate the formation of crystal nuclei. In contrast to this view of heterogeneous nucleation, we report laboratory observations demonstrating that collisions with hydrophobic amorphous organic aerosols induced crystallization of aqueous inorganic microdroplets at high RH, the effect of which was correlated with destabilizing water-mediated ion-specific surface interactions. These same organic aerosols did not induce crystallization once internally mixed in the droplet, pointing toward a previously unconsidered transient ion-specific crystal nucleation pathway that can promote aerosol crystallization via particle collisions.

  5. Probing in-medium spin–orbit interaction with intermediate-energy heavy-ion collisions

    International Nuclear Information System (INIS)

    Xu, Jun; Li, Bao-An

    2013-01-01

    Incorporating for the first time both the spin and isospin degrees of freedom explicitly in transport model simulations of intermediate-energy heavy-ion collisions, we observe that a local spin polarization appears during collision process. Most interestingly, it is found that the nucleon spin up–down differential transverse flow is a sensitive probe of the spin–orbit interaction, providing a novel approach to probe both the density and isospin dependence of the in-medium spin–orbit coupling that is important for understanding the structure of rare isotopes and synthesis of superheavy elements

  6. Λ flow in heavy-ion collisions: The role of final-state interactions

    International Nuclear Information System (INIS)

    Li, G.Q.; Ko, C.M.

    1996-01-01

    Lambda flow in Ni+Ni collisions at SIS energies is studied in the relativistic transport model (RVUU 1.0). It is found that for primordial lambdas the flow is considerably weaker than proton flow. The inclusion of final-state interactions, especially the propagation of lambdas in the mean-field potential, brings the lambda flow close to that of protons. An accurate determination of the lambda flow in heavy-ion experiments is shown to be very useful for studying lambda properties in dense matter. copyright 1996 The American Physical Society

  7. Ferromagnetic Potts models with multisite interaction

    Science.gov (United States)

    Schreiber, Nir; Cohen, Reuven; Haber, Simi

    2018-03-01

    We study the q -state Potts model with four-site interaction on a square lattice. Based on the asymptotic behavior of lattice animals, it is argued that when q ≤4 the system exhibits a second-order phase transition and when q >4 the transition is first order. The q =4 model is borderline. We find 1 /lnq to be an upper bound on Tc, the exact critical temperature. Using a low-temperature expansion, we show that 1 /(θ lnq ) , where θ >1 is a q -dependent geometrical term, is an improved upper bound on Tc. In fact, our findings support Tc=1 /(θ lnq ) . This expression is used to estimate the finite correlation length in first-order transition systems. These results can be extended to other lattices. Our theoretical predictions are confirmed numerically by an extensive study of the four-site interaction model using the Wang-Landau entropic sampling method for q =3 ,4 ,5 . In particular, the q =4 model shows an ambiguous finite-size pseudocritical behavior.

  8. Heavy-ion interactions of deformed nuclei. Progress report and final report, January 1, 1985-December 31, 1985

    International Nuclear Information System (INIS)

    Oberacker, V.E.

    1985-09-01

    This Progress Report describes the main topics that were investigated during the reporting period: (1) a new microscopic approach (many-body theory with two-center shell model basis) to the calculation of heavy-ion interaction potentials, primarily for heavy systems; (2) dynamic alignment of deformed nuclei during heavy-ion collisions; (3) the role of shell effects, static deformation and dynamic alignment in heavy-ion fusion reactions; (4) giant nuclear quasimolecules and the positron problem. The proposed research has direct relevance to experimental programs supported by DOE, e.g. the Holifield Heavy-Ion Research Facility (HHIRF) at Oak Ridge, the ATLAS accelerator at Argonne National Laboratory, the Double MP Tandem at Brookhaven and some of the smaller University-based accelerators. A discussion of a review article on Coulomb fission is presented. 36 refs., 7 figs

  9. Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation.

    Science.gov (United States)

    Sterpone, Fabio; Nguyen, Phuong H; Kalimeri, Maria; Derreumaux, Philippe

    2013-10-08

    We have derived new effective interactions that improve the description of ion-pairs in the OPEP coarse-grained force field without introducing explicit electrostatic terms. The iterative Boltzmann inversion method was used to extract these potentials from all atom simulations by targeting the radial distribution function of the distance between the center of mass of the side-chains. The new potentials have been tested on several systems that differ in structural properties, thermodynamic stabilities and number of ion-pairs. Our modeling, by refining the packing of the charged amino-acids, impacts the stability of secondary structure motifs and the population of intermediate states during temperature folding/unfolding; it also improves the aggregation propensity of peptides. The new version of the OPEP force field has the potentiality to describe more realistically a large spectrum of situations where salt-bridges are key interactions.

  10. Study of electron vibrational interaction parameters in chlorophosphate activated with Eu2+ ion

    International Nuclear Information System (INIS)

    Bhoyar, Priyanka D.; Dhoble, S.J.

    2014-01-01

    We present the results of theoretical study of photoluminescence of Eu 2+ ions activated chlorophosphate M 5.17 (PO 4 ) 3 Cl 5 :Eu 2+ with M = Ca, Sr and Ba estimating electron-vibrational interaction (EVI) parameters such as Huang–Rhys factor, effective phonon energy, Stokes shift and zero phonon line position. Validity of the calculated result was established by modeling the emission line which was found to be in good agreement with the measured photoluminescence spectrum of Eu 2+ doped chorophosphates. - Highlights: • The EVI parameters such as Huang–Rhys factor, effective phonon energy and zero phonon line position were estimated. • Eu 2+ ion emission observed in chlorophosphate. • Material analyzed in this work have intermediate Huang–Rhys factor, high Stokes shift and low effective phonon energy

  11. Integral equation models for the inverse problem of biological ion channel distributions

    International Nuclear Information System (INIS)

    French, D A; Groetsch, C W

    2007-01-01

    Olfactory cilia are thin hair-like filaments that extend from olfactory receptor neurons into the nasal mucus. Transduction of an odor into an electrical signal is accomplished by a depolarizing influx of ions through cyclic-nucleotide-gated channels in the membrane that forms the lateral surface of the cilium. In an experimental procedure developed by S. Kleene, a cilium is detached at its base and drawn into a recording pipette. The cilium base is then immersed in a bath of a channel activating agent (cAMP) which is allowed to diffuse into the cilium interior, opening channels as it goes and initiating a transmembrane current. The total current is recorded as a function of time and serves as data for a nonlinear integral equation of the first kind modeling the spatial distribution of ion channels along the length of the cilium. We discuss some linear Fredholm integral equations that result from simplifications of this model. A numerical procedure is proposed for a class of integral equations suggested by this simplified model and numerical results using simulated and laboratory data are presented

  12. Extended Hubbard model for mesoscopic transport in donor arrays in silicon

    Science.gov (United States)

    Le, Nguyen H.; Fisher, Andrew J.; Ginossar, Eran

    2017-12-01

    Arrays of dopants in silicon are promising platforms for the quantum simulation of the Fermi-Hubbard model. We show that the simplest model with only on-site interaction is insufficient to describe the physics of an array of phosphorous donors in silicon due to the strong intersite interaction in the system. We also study the resonant tunneling transport in the array at low temperature as a mean of probing the features of the Hubbard physics, such as the Hubbard bands and the Mott gap. Two mechanisms of localization which suppresses transport in the array are investigated: The first arises from the electron-ion core attraction and is significant at low filling; the second is due to the sharp oscillation in the tunnel coupling caused by the intervalley interference of the donor electron's wave function. This disorder in the tunnel coupling leads to a steep exponential decay of conductance with channel length in one-dimensional arrays, but its effect is less prominent in two-dimensional ones. Hence, it is possible to observe resonant tunneling transport in a relatively large array in two dimensions.

  13. Further evidences for enhanced nuclear cross-sections observed in 44 GeV carbon ion interactions with copper

    International Nuclear Information System (INIS)

    Brandt, R.; Abdullaev, I.G.; Adloff, J.C.

    1995-01-01

    The work of enhanced nuclear cross-sections of secondary fragments produced in the interaction of 44 GeV 12 C with copper has been deepened and extended. The earlier experiment on the emission of secondary fragments into large angles producing enhanced amounts of 24 Na in copper (Phys. Rev. C, 45, 1194(1992)) was confirmed and refined both experimentally and theoretically. In this context, one looked for another signature of such enhanced production, namely for enhanced neutron production. In order to search for this, a 20 cm thick massive copper target was irradiated with 18 and 44 GeV 12 C-ions. Secondary fragments already described could interact again with copper. Outside the metallic target, secondary neutrons got moderated and low energy nuclear reactions were studied in La and U radiochemically via (n,γ)-reactions and also with various solid state nuclear track detectors. One observed an indication, however not yet significant, of enhanced production rates for low energy nuclear reactions only with 44 GeV 12 C, when compared to 18 GeV 12 C-ions. Besides some proton irradiations at SATURNE, Saclay (France) at 2.6 GeV and at PSI, Villigen (Switzerland) at 0.6 GeV all other irradiations were carried out at the Synchrophasotron, LHE, JINR, Dubna (Russia). 46 refs., 14 figs., 8 tabs

  14. Enthalpies of dilution of aqueous Li{sub 2}B{sub 4}O{sub 7} solutions at 298.15K and application of ion-interaction model

    Energy Technology Data Exchange (ETDEWEB)

    Yin Guoyin [Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008 (China); Graduate School of Chinese Academy of Sciences, Beijing 100039 (China); Yao Yan [Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008 (China) and Graduate School of Chinese Academy of Sciences, Beijing 100039 (China)]. E-mail: yaoy@isl.ac.cn; Jiao Baojuan [Department of Chemistry, Northwest University, Xi' an 710069 (China); Chen Sanping [Department of Chemistry, Northwest University, Xi' an 710069 (China); Gao Shengli [Department of Chemistry, Northwest University, Xi' an 710069 (China)

    2005-09-15

    The enthalpies of dilution have been measured for aqueous Li{sub 2}B{sub 4}O{sub 7} solutions from 0.0212 to 2.1530molkg{sup -1} at 298.15K. The relative apparent molar enthalpies, L{sub {phi}}, and relative partial molar enthalpies of the solvent and solute, L-bar{sub 1} and L-bar{sub 2} were calculated. The thermodynamic properties of the complex aqueous solutions were represented with a modified Pitzer ion-interaction model.

  15. Thermo-electrochemical model for forced convection air cooling of a lithium-ion battery module

    International Nuclear Information System (INIS)

    Tong, Wei; Somasundaram, Karthik; Birgersson, Erik; Mujumdar, Arun S.; Yap, Christopher

    2016-01-01

    Highlights: • Coupled thermal-electrochemical model for a Li-ion battery module resolving every functional layer in all cells. • Parametric analysis of forced convection air cooling of Li-ion battery module with a detailed multi-scale model. • Reversing/reciprocating airflow for Li-ion battery module thermal management provides uniform temperature distribution. - Abstract: Thermal management is critical for safe and reliable operation of lithium-ion battery systems. In this study, a one-dimensional thermal-electrochemical model of lithium-ion battery interactively coupled with a two-dimensional thermal-fluid conjugate model for forced convection air cooling of a lithium-ion battery module is presented and solved numerically. This coupled approach makes the model more unique and detailed as transport inside each cell in the battery module is solved for and thus covering multiple length and time scales. The effect of certain design and operating parameters of the thermal management system on the performance of the battery module is assessed using the coupled model. It is found that a lower temperature increase of the battery module can be achieved by either increasing the inlet air velocity or decreasing the distance between the cells. Higher air inlet velocity, staggered cell arrangement or a periodic reversal airflow of high reversal frequency results in a more uniform temperature distribution in the module. However, doing so increases the parasitic load as well as the volume of the battery module whence a trade-off should be taken into account between these parameters.

  16. A 1D ion species model for an RF driven negative ion source

    Science.gov (United States)

    Turner, I.; Holmes, A. J. T.

    2017-08-01

    A one-dimensional model for an RF driven negative ion source has been developed based on an inductive discharge. The RF source differs from traditional filament and arc ion sources because there are no primary electrons present, and is simply composed of an antenna region (driver) and a main plasma discharge region. However the model does still make use of the classical plasma transport equations for particle energy and flow, which have previously worked well for modelling DC driven sources. The model has been developed primarily to model the Small Negative Ion Facility (SNIF) ion source at CCFE, but may be easily adapted to model other RF sources. Currently the model considers the hydrogen ion species, and provides a detailed description of the plasma parameters along the source axis, i.e. plasma temperature, density and potential, as well as current densities and species fluxes. The inputs to the model are currently the RF power, the magnetic filter field and the source gas pressure. Results from the model are presented and where possible compared to existing experimental data from SNIF, with varying RF power, source pressure.

  17. Soil-modified carbon paste electrode: a useful tool in environmental assessment of heavy metal ion binding interactions.

    Science.gov (United States)

    Svegl, I G; Ogorevc, B

    2000-08-01

    Carbon paste electrodes (CPEs) modified with different soils in their native form were prepared to create a soil-like solid phase suitable for application in studies of heavy metal ion uptake and binding interactions. The preparation of CPEs modified with five different soils was examined and their heavy metal ion uptake behavior investigated using a model Cu(II) aqueous solution. Metal ions were accumulated under open circuit conditions and were determined after a medium exchange using differential pulse anodic stripping voltammetry, applying preelectrolysis at -0.7 V. The soil-modified CPE accumulation behavior, including the linearity of the current response versus Cu(II) concentration, the influence of the pH on the solution, and the uptake kinetics, was thoroughly investigated. The correlation between the soil-modified CPE uptake capability and the standard soil parameters, such as ion exchange capacity, soil pH, organic matter and clay content, were evaluated for all five examined soils. The influence of selected endogenous cations (K(I), Ca(II), Fe(III)) on the transfer of Cu(II) ions from a solution to the simulated soil solid phase was examined and is discussed. Preliminary examinations of the soil-modified CPE uptake behavior with some exogenous heavy metal ions of strong environmental interest (Pb(II), Hg(II), Cd(II) and Ag(I)) are also presented. This work demonstrates some attractive possibilities for the application of a soil-modified CPE in studying soil-heavy metal ion binding interactions, with a further potential use as a new environmental sensor appropriate for fist on-site testing of polluted soils.

  18. Review of multi-dimensional large-scale kinetic simulation and physics validation of ion acceleration in relativistic laser-matter interaction

    International Nuclear Information System (INIS)

    Wu, Hui-Chun; Hegelich, B.M.; Fernandez, J.C.; Shah, R.C.; Palaniyappan, S.; Jung, D.; Yin, L.; Albright, B.J.; Bowers, K.; Kwan, T.J.

    2012-01-01

    Two new experimental technologies enabled realization of Break-out afterburner (BOA) - High quality Trident laser and free-standing C nm-targets. VPIC is an powerful tool for fundamental research of relativistic laser-matter interaction. Predictions from VPIC are validated - Novel BOA and Solitary ion acceleration mechanisms. VPIC is a fully explicit Particle In Cell (PIC) code: models plasma as billions of macro-particles moving on a computational mesh. VPIC particle advance (which typically dominates computation) has been optimized extensively for many different supercomputers. Laser-driven ions lead to realization promising applications - Ion-based fast ignition; active interrogation, hadron therapy.

  19. Interaction of energetic particles with polymer surfaces: surface morphology development and sputtered polymer-fragment ion analysis

    International Nuclear Information System (INIS)

    Michael, R.S.

    1987-01-01

    The core of this thesis is based on a series of papers that have been published or will soon be published in which the various processes taking place in the energetic particle-polymer surface interaction scene is investigated. Results presented show different developments on polymer surfaces when compared to the vast experimental data on energetic particle-metal surface interactions. The surface morphology development depends on the physical characteristics of the polymer. Sputtering yields of fluoropolymers were several orders higher than the sputtering yields of aliphatic and aromatic polymers. Depending on the chemical nature of the polymer, the surface morphology development was dependent upon the extent of radiation-damage accumulation. Fast Atom Bombardment Mass Spectrometry at low and high resolution was applied to the characterization of sputtered polymer fragment ions. Fragment ions and their intensities were used to identify polymer samples, observe radiation damage accumulation and probe polymer-polymer interface of a polymer-polymer sandwich structure. A model was proposed which attempts to explain the nature of processes involved in the energetic particle-polymer surface interaction region

  20. Research on odor interaction between aldehyde compounds via a partial differential equation (PDE) model.

    Science.gov (United States)

    Yan, Luchun; Liu, Jiemin; Qu, Chen; Gu, Xingye; Zhao, Xia

    2015-01-28

    In order to explore the odor interaction of binary odor mixtures, a series of odor intensity evaluation tests were performed using both individual components and binary mixtures of aldehydes. Based on the linear relation between the logarithm of odor activity value and odor intensity of individual substances, the relationship between concentrations of individual constituents and their joint odor intensity was investigated by employing a partial differential equation (PDE) model. The obtained results showed that the binary odor interaction was mainly influenced by the mixing ratio of two constituents, but not the concentration level of an odor sample. Besides, an extended PDE model was also proposed on the basis of the above experiments. Through a series of odor intensity matching tests for several different binary odor mixtures, the extended PDE model was proved effective at odor intensity prediction. Furthermore, odorants of the same chemical group and similar odor type exhibited similar characteristics in the binary odor interaction. The overall results suggested that the PDE model is a more interpretable way of demonstrating the odor interactions of binary odor mixtures.

  1. Inclusion of the diffuseness in the schematic model of heavy ion collisions

    International Nuclear Information System (INIS)

    Marta, H.D.

    1989-01-01

    The schematic model of central heavy ion collisions developed by Swiatecki includes the Coulomb and surface contributions to the potential energy of the system and one-body dissipation. This model is extended by considering the diffuseness of the nuclear surface; this has the implication that we must consider the proximity forces in the dynamics of the collisions. For the sake of simplicity we work with symmetrical systems. The results of the model studied are compared with experimental data and with other theoretical calculations. We conclude that the detailed consideration of the diffuseness of the nuclear surfaces does not substantially change the results of the schematic model for sharp surfaces in which the diffuseness is considered only through the parameters. (author) [pt

  2. 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.

  3. Selection and impedance based model of a lithium ion battery technology for integration with virtual power plant

    DEFF Research Database (Denmark)

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

    2013-01-01

    is to integrate lithium-ion batteries into virtual power plants; thus, the power system stability and the energy quality can be increased. The selection of the best lithium-ion battery candidate for integration with wind power plants is a key aspect for the economic feasibility of the virtual power plant...... investment. This paper presents a methodology for selection, between three candidates, of a Li-ion battery which offers long cycle lifetime at partial charge/discharge (required by many grid support applications) while providing a low cost per cycle also. For the selected Li-ion battery an impedance......-based diagnostic tool for lifetime estimation was developed and verified. This diagnostic tool can be extended into an impedance-based lifetime model that will be able to predict the remaining useful lifetime of Li-ion batteries for specific grid support applications....

  4. SPEEDUPtrademark ion exchange column model

    International Nuclear Information System (INIS)

    Hang, T.

    2000-01-01

    A transient model to describe the process of loading a solute onto the granular fixed bed in an ion exchange (IX) column has been developed using the SpeedUptrademark software package. SpeedUp offers the advantage of smooth integration into other existing SpeedUp flowsheet models. The mathematical algorithm of a porous particle diffusion model was adopted to account for convection, axial dispersion, film mass transfer, and pore diffusion. The method of orthogonal collocation on finite elements was employed to solve the governing transport equations. The model allows the use of a non-linear Langmuir isotherm based on an effective binary ionic exchange process. The SpeedUp column model was tested by comparing to the analytical solutions of three transport problems from the ion exchange literature. In addition, a sample calculation of a train of three crystalline silicotitanate (CST) IX columns in series was made using both the SpeedUp model and Purdue University's VERSE-LC code. All test cases showed excellent agreement between the SpeedUp model results and the test data. The model can be readily used for SuperLigtrademark ion exchange resins, once the experimental data are complete

  5. Extended functions of the database machine FREND for interactive systems

    International Nuclear Information System (INIS)

    Hikita, S.; Kawakami, S.; Sano, K.

    1984-01-01

    Well-designed visual interfaces encourage non-expert users to use relational database systems. In those systems such as office automation systems or engineering database systems, non-expert users interactively access to database from visual terminals. Some users may want to occupy database or other users may share database according to various situations. Because, those jobs need a lot of time to be completed, concurrency control must be well designed to enhance the concurrency. The extended method of concurrency control of FREND is presented in this paper. The authors assume that systems are composed of workstations, a local area network and the database machine FREND. This paper also stresses that those workstations and FREND must cooperate to complete concurrency control for interactive applications

  6. New results on the beam-loss criteria for heavy-ion accelerators

    International Nuclear Information System (INIS)

    Katrik, Peter; Hoffmann, Dieter H.H.; Mustafin, Edil; Strasik, Ivan; Pavlovic, Marius

    2015-01-01

    Activation of high-energy heavy-ion accelerators due to beam losses is a serious issue for accelerator parts like collimators, magnets, beam-lines, fragment separator targets, etc. The beam losses below 1 W/m are considered as tolerable for 'hands-on' maintenance in proton machines. In our previous studies, the FLUKA2008 code has been used for establishing a scaling law expanding the existing beam-loss tolerance for 1 GeV protons to heavy ions. This scaling law enabled specifying beam-loss criteria for projectile species from proton up to uranium at energies from 200 MeV/u up to 1 GeV/u. FLUKA2008 allowed nucleus-nucleus interactions down to 100 MeV/u only. In this work, we review our previous results and extend activation simulations to lower energies with the help of the new FLUKA version, namely FLUKA2011. It includes models for nucleus-nucleus interactions below 100 MeV/u. We also tried to expand the scaling law to lower energies. This, however, needs further studies, because the heavy-ion-induced nuclide composition starts deviating from the proton-induced nuclide composition at energies below 150 MeV/u. (authors)

  7. Saturn's Magnetosphere Interaction with Titan for T9 Encounter: 3D Hybrid Modeling and Comparison with CAPS Observations

    Science.gov (United States)

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

    2011-01-01

    Global dynamics of ionized and neutral gases in the environment of Titan plays an important role in the interaction of Saturn s magnetosphere with Titan. Several hybrid simulations of this problem have already been done (Brecht et al., 2000; Kallio et al., 2004; Modolo et al., 2007a; Simon et al., 2007a, 2007b; Modolo and Chanteur, 2008). Observational data from CAPS for the T9 encounter (Sittler et al., 2009) indicates an absence of O(+) heavy ions in the upstream that change the models of interaction which were discussed in current publications (Kallio et al., 2004; Modolo et al., 2007a; Simon et al., 2007a, 2007b; Ma et al., 2007; Szego et al., 2007). Further analysis of the CAPS data shows very low density or even an absence of H(+) ions in upstream. In this paper we discuss two models of the interaction of Saturn s magnetosphere with Titan: (A) high density of H(+) ions in the upstream flow (0.1/cu cm), and (B) low density of H(+) ions in the upstream flow (0.02/cu cm). The hybrid model employs a fluid description for electrons and neutrals, whereas a particle approach is used for ions. We also take into account charge-exchange and photoionization processes and solve self-consistently for electric and magnetic fields. The model atmosphere includes exospheric H(+), H(2+), N(2+)and CH(4+) pickup ion production as well as an immobile background ionosphere and a shell distribution for active ionospheric ions (M(sub i)=28 amu). The hybrid model allows us to account for the realistic anisotropic ion velocity distribution that cannot be done in fluid simulations with isotropic temperatures. Our simulation shows an asymmetry of the ion density distribution and the magnetic field, including the formation of Alfven wing-like structures. The results of the ion dynamics in Titan s environment are compared with Cassini T9 encounter data (CAPS).

  8. Steady-State Ion Beam Modeling with MICHELLE

    Science.gov (United States)

    Petillo, John

    2003-10-01

    There is a need to efficiently model ion beam physics for ion implantation, chemical vapor deposition, and ion thrusters. Common to all is the need for three-dimensional (3D) simulation of volumetric ion sources, ion acceleration, and optics, with the ability to model charge exchange of the ion beam with a background neutral gas. The two pieces of physics stand out as significant are the modeling of the volumetric source and charge exchange. In the MICHELLE code, the method for modeling the plasma sheath in ion sources assumes that the electron distribution function is a Maxwellian function of electrostatic potential over electron temperature. Charge exchange is the process by which a neutral background gas with a "fast" charged particle streaming through exchanges its electron with the charged particle. An efficient method for capturing this is essential, and the model presented is based on semi-empirical collision cross section functions. This appears to be the first steady-state 3D algorithm of its type to contain multiple generations of charge exchange, work with multiple species and multiple charge state beam/source particles simultaneously, take into account the self-consistent space charge effects, and track the subsequent fast neutral particles. The solution used by MICHELLE is to combine finite element analysis with particle-in-cell (PIC) methods. The basic physics model is based on the equilibrium steady-state application of the electrostatic particle-in-cell (PIC) approximation employing a conformal computational mesh. The foundation stems from the same basic model introduced in codes such as EGUN. Here, Poisson's equation is used to self-consistently include the effects of space charge on the fields, and the relativistic Lorentz equation is used to integrate the particle trajectories through those fields. The presentation will consider the complexity of modeling ion thrusters.

  9. Resonance interaction of heavy ions in radar scattering

    International Nuclear Information System (INIS)

    Strutinskij, V.M.

    1983-01-01

    Resonances on back angles in the process of scatterina of heavy ions are investigated. Comprehensive investigation into possible sources of irregular structure of angular distribution during elastic scattering (ES) on wide angles are compated with an experiment. The first source is a two-component interference and the second one is a resonance structure connected with the process of formation of definite nucleon states in strongly deformed intermediate nucleus. Comparison of radar cross section calculations (back scattering cross section) with angular ES distributions of hydrogen on silicon testifies a possibility to interpret an anomalous scattering on wide angles in some reactions with heavy ions as a result of modulation of partial amplitudes by resonances of the input state typein the initial state of interaction of two nuclei

  10. Specification and Aggregation Errors in Environmentally Extended Input-Output Models

    NARCIS (Netherlands)

    Bouwmeester, Maaike C.; Oosterhaven, Jan

    This article considers the specification and aggregation errors that arise from estimating embodied emissions and embodied water use with environmentally extended national input-output (IO) models, instead of with an environmentally extended international IO model. Model specification errors result

  11. Modeling of ion beam surface treatment

    Energy Technology Data Exchange (ETDEWEB)

    Stinnett, R W [Quantum Manufacturing Technologies, Inc., Albuquerque, NM (United States); Maenchen, J E; Renk, T J [Sandia National Laboratories, Albuquerque, NM (United States); Struve, K W [Mission Research Corporation, Albuquerque, NM (United States); Campbell, M M [PASTDCO, Albuquerque, NM (United States)

    1997-12-31

    The use of intense pulsed ion beams is providing a new capability for surface engineering based on rapid thermal processing of the top few microns of metal, ceramic, and glass surfaces. The Ion Beam Surface Treatment (IBEST) process has been shown to produce enhancements in the hardness, corrosion, wear, and fatigue properties of surfaces by rapid melt and re-solidification. A new code called IBMOD was created, enabling the modeling of intense ion beam deposition and the resulting rapid thermal cycling of surfaces. This code was used to model the effect of treatment of aluminum, iron, and titanium using different ion species and pulse durations. (author). 3 figs., 4 refs.

  12. Interaction of slow highly-charged ions with metals and insulators

    International Nuclear Information System (INIS)

    Yamazaki, Y.

    2007-01-01

    Interaction of slow highly charged ions with insulator as well as metallic surfaces is discussed. In addition to the usual flat surface targets, studies with thin foils having a multitude of straight holes of ∼100 nm in diameter (micro-capillary foil) are introduced, which provide various unique information on the above surface interaction. In the case of an insulator micro-capillary foil, a so-called guiding effect was observed, where slow highly charged ions can transmit through the capillary tunnel keeping their initial charge state even when the capillary axis is tilted against the incident beam. A similar guiding effect has recently been found for slow highly-charged ions transmitted through a single tapered glass capillary. In both cases, the guiding effects are expected to be governed by a self-organized charging and discharging of the inner-wall of the insulator capillary. One of the prominent features of this guiding effect with the tapered capillary is the formation of a nano-size beam, which can be applied in various fields of science including surface nano-modification/analysis, nano-surgery of living cells, etc

  13. Production of ultrahigh ion current densities at skin-layer subrelativistic laser-plasma interaction

    Energy Technology Data Exchange (ETDEWEB)

    Badziak, J [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Glowacz, S [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Jablonski, S [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Parys, P [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Wolowski, J [Institute of Plasma Physics and Laser Microfusion, Warsaw (Poland); Hora, H [Department of Theoretical Physics, University of New South Wales, Sydney (Australia); Krasa, J [Institute of Physics, ASCR, Prague (Czech Republic); Laska, L [Institute of Physics, ASCR, Prague (Czech Republic); Rohlena, K [Institute of Physics, ASCR, Prague (Czech Republic)

    2004-12-01

    Some applications of fast ions driven by a short ({<=}1 ps) laser pulse (e.g. fast ignition of ICF targets, x-ray laser pumping, laboratory astrophysics research or some nuclear physics experiments) require ion beams of picosecond (or shorter) time durations and of very high ion current densities ({approx}10{sup 10} A cm{sup -2} or higher). A possible way of producing ion beams with such extreme parameters is ballistic focusing of fast ions generated by a target normal sheath acceleration (TNSA) mechanism at relativistic laser intensities. In this paper we discuss another method, where the production of short-pulse ion beams of ultrahigh current densities is possible in a planar geometry at subrelativistic laser intensities and at a low energy ({<=}1 J) of the laser pulse. This method-referred to as skin-layer ponderomotive acceleration (S-LPA)-uses strong ponderomotive forces induced at the skin-layer interaction of a short laser pulse with a proper preplasma layer in front of a solid target. The basic features of the high-current ion generation by S-LPA were investigated using a simplified theory, numerical hydrodynamic simulations and measurements. The experiments were performed with subjoule 1 ps laser pulses interacting with massive or thin foil targets at intensities of up to 2 x 10{sup 17} W cm{sup -2}. It was found that both in the backward and forward directions highly collimated high-density ion beams (plasma blocks) with current densities at the ion source (close to the target) approaching 10{sup 10} A cm{sup -2} are produced, in accordance with the theory and numerical calculations. These ion current densities were found to be comparable to (or even higher than) those estimated from recent short-pulse TNSA experiments with relativistic laser intensities. Apart from the simpler physics of the laser-plasma interaction, the advantage of the considered method is the low energy of the driving laser pulses allowing the production of ultrahigh

  14. A novel method to survey parameters of an ion beam and its interaction with a target

    Science.gov (United States)

    Long, J. D.; Yang, Z.; Li, J.; Wang, X. H.; Wang, T.; Lan, C. H.; Dong, P.; Li, X.; He, J. L.; Zheng, L.; Liu, P.

    2017-09-01

    Beam profile and composition of the pulsed ion beam from a vacuum arc source are valuable information for designing a high-intensity deuterium-tritium neutron generator. Traditional methods are notoriously difficult to obtain the information at the same time. A novel off-line diagnostic method is presented, which can obtain the transverse beam profile with high resolution as well as species of the ions in the beam. The method is using a silicon target with high purity to interact with the ion beam, and then use secondary ion mass spectrometry (SIMS) to analyze the interaction zone of the target to get the beam information. More information on beam-target interaction could get simultaneously. Proof-of-principle simulation and experimental works have demonstrated this method is practical.

  15. The interaction of uranyl ions with inorganic pyrophosphatase from baker's yeast

    International Nuclear Information System (INIS)

    Bienwald, B.; Heitmann, P.

    1978-01-01

    The interaction of uranyl ions with inorganic pyrophosphatase from baker's yeast was investigated by measurement of their effect on the protein fluorescence. Fluorescence titrations of the native enzyme with uranyl nitrate show that there is a specific binding of uranyl ions to the enzyme. It was deduced that each subunit of the enzyme binds one uranyl ion. The binding constant was estimated to be in the order of 10 7 M -1 . The enzyme which contains a small number of chemically modified carboxyl groups was not able to bind uranyl ions specifically. The modification of carboxyl groups was carried out by use of a water soluble carbodiimide and the nucleophilic reagent N-(2,4-dinitro-phenyl)-hexamethylenediamine. The substrate analogue calcium pyrophosphate displaced the uranyl ions from their binding sites at the enzyme From the results it is concluded that carboxyl groups of the active site are the ligands for the binding of uranyl ions. (author)

  16. Conceptual Engineering Method for Attenuating He Ion Interactions on First Wall Components in the Fusion Test Facility (FTF) Employing a Low-Pressure Noble Gas

    International Nuclear Information System (INIS)

    Gentile, C.A.; Blanchard, W.R.; Kozub, T.; Priniski, C.; Zatz, I.; Obenschain, S.

    2009-01-01

    It has been shown that post detonation energetic helium ions can drastically reduce the useful life of the (dry) first wall of an IFE reactor due to the accumulation of implanted helium. For the purpose of attenuating energetic helium ions from interacting with first wall components in the Fusion Test Facility (FTF) target chamber, several concepts have been advanced. These include magnetic intervention (MI), deployment of a dynamically moving first wall, use of a sacrificial shroud, designing the target chamber large enough to mitigate the damage caused by He ions on the target chamber wall, and the use of a low pressure noble gas resident in the target chamber during pulse power operations. It is proposed that employing a low-pressure (∼ 1 torr equivalent) noble gas in the target chamber will thermalize energetic helium ions prior to interaction with the wall. The principle benefit of this concept is the simplicity of the design and the utilization of (modified) existing technologies for pumping and processing the noble ambient gas. Although the gas load in the system would be increased over other proposed methods, the use of a 'gas shield' may provide a cost effective method of greatly extending the first wall of the target chamber. An engineering study has been initiated to investigate conceptual engineering methods for implementing a viable gas shield strategy in the FTF.

  17. Degenerate and chiral states in the extended Heisenberg model on the kagome lattice

    Science.gov (United States)

    Gómez Albarracín, F. A.; Pujol, P.

    2018-03-01

    We present a study of the low-temperature phases of the antiferromagnetic extended classical Heisenberg model on the kagome lattice, up to third-nearest neighbors. First, we focus on the degenerate lines in the boundaries of the well-known staggered chiral phases. These boundaries have either semiextensive or extensive degeneracy, and we discuss the partial selection of states by thermal fluctuations. Then, we study the model under an external magnetic field on these lines and in the staggered chiral phases. We pay particular attention to the highly frustrated point, where the three exchange couplings are equal. We show that this point can be mapped to a model with spin-liquid behavior and nonzero chirality. Finally, we explore the effect of Dzyaloshinskii-Moriya (DM) interactions in two ways: a homogeneous and a staggered DM interaction. In both cases, there is a rich low-temperature phase diagram, with different spontaneously broken symmetries and nontrivial chiral phases.

  18. Dependence of simulated positron emitter yields in ion beam cancer therapy on modeling nuclear fragmentation

    DEFF Research Database (Denmark)

    Lühr, Armin; Priegnitz, Marlen; Fiedler, Fine

    2014-01-01

    In ion beam cancer therapy, range verification in patients using positron emission tomography (PET) requires the comparison of measured with simulated positron emitter yields. We found that (1) changes in modeling nuclear interactions strongly affected the positron emitter yields and that (2) Monte...... Carlo simulations with SHIELD-HIT10A reasonably matched the most abundant PET isotopes 11C and 15O. We observed an ion-energy (i.e., depth) dependence of the agreement between SHIELD-HIT10A and measurement. Improved modeling requires more accurate measurements of cross-section values....

  19. Extended behavioural device modelling and circuit simulation with Qucs-S

    Science.gov (United States)

    Brinson, M. E.; Kuznetsov, V.

    2018-03-01

    Current trends in circuit simulation suggest a growing interest in open source software that allows access to more than one simulation engine while simultaneously supporting schematic drawing tools, behavioural Verilog-A and XSPICE component modelling, and output data post-processing. This article introduces a number of new features recently implemented in the 'Quite universal circuit simulator - SPICE variant' (Qucs-S), including structure and fundamental schematic capture algorithms, at the same time highlighting their use in behavioural semiconductor device modelling. Particular importance is placed on the interaction between Qucs-S schematics, equation-defined devices, SPICE B behavioural sources and hardware description language (HDL) scripts. The multi-simulator version of Qucs is a freely available tool that offers extended modelling and simulation features compared to those provided by legacy circuit simulators. The performance of a number of Qucs-S modelling extensions are demonstrated with a GaN HEMT compact device model and data obtained from tests using the Qucs-S/Ngspice/Xyce ©/SPICE OPUS multi-engine circuit simulator.

  20. Calculation of ion storage in electron beams with account of ion-ion interactions

    International Nuclear Information System (INIS)

    Perel'shtejn, Eh.A.; Shirkov, G.D.

    1979-01-01

    Ion storage in relativistic electron beams was calculated taking account of ion-ion charge exchange and ionization. The calculations were made for nitrogen ion storage from residual gas during the compression of electron rings in the adhezator of the JINR heavy ion accelerator. The calculations were made for rings of various parameters and for various pressures of the residual gas. The results are compared with analogous calculations made without account of ion-ion processes. It is shown that at heavy loading of a ring by ions ion-ion collisions play a significant part, and they should be taken into account while calculating ion storage

  1. Highlights from the LHCb ion physics program

    International Nuclear Information System (INIS)

    Schmelling, Michael

    2017-01-01

    Following the successful participation of LHCb in the 2013 proton-lead run of the LHC, in 2015 the collaboration decided to further extend its physics program to study also lead-lead collisions and fixed target interactions. These proceedings discuss the physics reach of the detector and the first results from the LHCb ion physics and fixed target program. (paper)

  2. The ion–aerosol interactions from the ion mobility and aerosol ...

    Indian Academy of Sciences (India)

    2005-02-18

    aerosol interactions from the ion mobility and aerosol particle size distribution measurements on January 17 and February 18, 2005 at Maitri, Antarctica – A case study. Devendraa Siingh Vimlesh Pant A K Kamra. Volume 120 Issue 4 August ...

  3. Modelling of the interaction between chemical and mechanical behaviour of ion exchange resins incorporated into a cement-based matrix

    Directory of Open Access Journals (Sweden)

    Le Bescop P.

    2013-07-01

    Full Text Available In this paper, we present a predictive model, based on experimental data, to determine the macroscopic mechanical behavior of a material made up of ion exchange resins solidified into a CEM III cement paste. Some observations have shown that in some cases, a significant macroscopic expansion of this composite material may be expected, due to internal pressures generated in the resin. To build the model, we made the choice to break down the problem in two scale’s studies. The first deals with the mechanical behavior of the different heterogeneities of the composite, i.e. the resin and the cement paste. The second upscales the information from the heterogeneities to the Representative Elementary Volume (REV of the composite. The heterogeneities effects are taken into account in the REV by applying a homogenization method derived from the Eshelby theory combined with an interaction coefficient drawn from the poroelasticity theory. At the first scale, from the second thermodynamic law, a formulation is developed to estimate the resin microscopic swelling. The model response is illustrated on a simple example showing the impact of the calculated internal pressure, on the macroscopic strain.

  4. Final Report - Assessment of Potential Phosphate Ion-Cementitious Materials Interactions

    International Nuclear Information System (INIS)

    Naus, Dan J.; Mattus, Catherine H.; Dole, Leslie Robert

    2007-01-01

    The objectives of this limited study were to: (1) review the potential for degradation of cementitious materials due to exposure to high concentrations of phosphate ions; (2) provide an improved understanding of any significant factors that may lead to a requirement to establish exposure limits for concrete structures exposed to soils or ground waters containing high levels of phosphate ions; (3) recommend, as appropriate, whether a limitation on phosphate ion concentration in soils or ground water is required to avoid degradation of concrete structures; and (4) provide a 'primer' on factors that can affect the durability of concrete materials and structures in nuclear power plants. An assessment of the potential effects of phosphate ions on cementitious materials was made through a review of the literature, contacts with concrete research personnel, and conduct of a 'bench-scale' laboratory investigation. Results of these activities indicate that: no harmful interactions occur between phosphates and cementitious materials unless phosphates are present in the form of phosphoric acid; phosphates have been incorporated into concrete as set retarders, and phosphate cements have been used for infrastructure repair; no standards or guidelines exist pertaining to applications of reinforced concrete structures in high-phosphate environments; interactions of phosphate ions and cementitious materials has not been a concern of the research community; and laboratory results indicate similar performance of specimens cured in phosphate solutions and those cured in a calcium hydroxide solution after exposure periods of up to eighteen months. Relative to the 'primer,' a separate NUREG report has been prepared that provides a review of pertinent factors that can affect the durability of nuclear power plant reinforced concrete structures

  5. Final Report - Assessment of Potential Phosphate Ion-Cementitious Materials Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Naus, Dan J [ORNL; Mattus, Catherine H [ORNL; Dole, Leslie Robert [ORNL

    2007-06-01

    The objectives of this limited study were to: (1) review the potential for degradation of cementitious materials due to exposure to high concentrations of phosphate ions; (2) provide an improved understanding of any significant factors that may lead to a requirement to establish exposure limits for concrete structures exposed to soils or ground waters containing high levels of phosphate ions; (3) recommend, as appropriate, whether a limitation on phosphate ion concentration in soils or ground water is required to avoid degradation of concrete structures; and (4) provide a "primer" on factors that can affect the durability of concrete materials and structures in nuclear power plants. An assessment of the potential effects of phosphate ions on cementitious materials was made through a review of the literature, contacts with concrete research personnel, and conduct of a "bench-scale" laboratory investigation. Results of these activities indicate that: no harmful interactions occur between phosphates and cementitious materials unless phosphates are present in the form of phosphoric acid; phosphates have been incorporated into concrete as set retarders, and phosphate cements have been used for infrastructure repair; no standards or guidelines exist pertaining to applications of reinforced concrete structures in high-phosphate environments; interactions of phosphate ions and cementitious materials has not been a concern of the research community; and laboratory results indicate similar performance of specimens cured in phosphate solutions and those cured in a calcium hydroxide solution after exposure periods of up to eighteen months. Relative to the "primer," a separate NUREG report has been prepared that provides a review of pertinent factors that can affect the durability of nuclear power plant reinforced concrete structures.

  6. On the Reconciliation of the Extended Nelson-Siegel and the Extended Vasicek Models (with a View Towards Swap and Swaption Valuation)

    DEFF Research Database (Denmark)

    Jørgensen, Peter Løchte

    Extended Nelson-Siegel models are widely used by e.g. practitioners and central banks to estimate current term structures of riskless zero-coupon interest rates, whereas other models such as the extended Vasicek model (a.k.a. the Hull-White model) are popular for pricing interest rate derivatives....... This paper establishes theoretical consistency between these two types of models by showing how to specify the extended Vasicek model such that its implied initial term structure curve precisely matches a given extended Nelson-Siegel specification. That is, we show how to reconcile the two classes of models...

  7. Electron ejection from solids induced by fast highly-charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Schiwietz, G. [Hahn-Meitner-Inst. GmbH, Berlin (Germany). Abt. FD; Xiao, G. [Hahn-Meitner-Inst. GmbH, Berlin (Germany). Abt. FD

    1996-02-01

    Total electron-ejection yields and Auger-electron spectra for highly-charged ions interacting with different foil targets have been investigated in this work. New experimental and theoretical data for normal incident 5 MeV/u heavy ions on graphite and polypropylene foils are presented and discussed. These two materials have been selected as model systems representing conductors and insulator targets. Our measured projectile nuclear-charge dependence of the total electron yield from carbon foils clearly deviates from results of some transport models that predict a proportionality with respect to the electronic stopping power of the projectiles. Possible reasons for this deviation are discussed. We have also extended our measurements on cascade-induced C-KLL Auger-electron production. The corresponding results for 5 MeV/u S ions on carbon were obtained with a new method and agree fairly well with previous data. Furthermore, we have performed an experimental and theoretical investigation on the nuclear-track potential in insulators. Comparison of experimental data with theoretical results for N{sup 7+}, Ne{sup 9+}, Ar{sup 16+} and Ni{sup 23+} ions allow for an estimate of the electron/hole pair recombination time at the center of the track in polypropylene. (orig.).

  8. Benchmarking nuclear models of FLUKA and GEANT4 for carbon ion therapy

    CERN Document Server

    Bohlen, TT; Quesada, J M; Bohlen, T T; Cerutti, F; Gudowska, I; Ferrari, A; Mairani, A

    2010-01-01

    As carbon ions, at therapeutic energies, penetrate tissue, they undergo inelastic nuclear reactions and give rise to significant yields of secondary fragment fluences. Therefore, an accurate prediction of these fluences resulting from the primary carbon interactions is necessary in the patient's body in order to precisely simulate the spatial dose distribution and the resulting biological effect. In this paper, the performance of nuclear fragmentation models of the Monte Carlo transport codes, FLUKA and GEANT4, in tissue-like media and for an energy regime relevant for therapeutic carbon ions is investigated. The ability of these Monte Carlo codes to reproduce experimental data of charge-changing cross sections and integral and differential yields of secondary charged fragments is evaluated. For the fragment yields, the main focus is on the consideration of experimental approximations and uncertainties such as the energy measurement by time-of-flight. For GEANT4, the hadronic models G4BinaryLightIonReaction a...

  9. The mobility of Li+ and K+ ions in helium and argon at 294 and 80 K and derived interaction potentials

    International Nuclear Information System (INIS)

    Cassidy, R.A.; Elford, M.T.

    1983-01-01

    The analysis of mobility data is a valuable technique for deriving ion-atom interaction potentials or testing at initio potentials particularly at relatively large internuclear separations. In order to obtain the most complete information on the long range part of the potential it is necessary to have mobility data at sufficiently low gas temperatures and small values of E/N that the mobility is determined only by the dipole polarization force. Although this condition can be reasonably well met at room temperature for gases of high polarizability, this is not the case for ions in helium and in particular for the most well studied case, that of Li + in helium. The prime purpose of the present measurements was to obtain low temperature data for Li + in helium in order to determine more accurately the attractive long range tail of the potential. The measurements were also extended to argon to demonstrate the effect of the polarizability on the derivation of potentials. The mobility measurements were made using a drift tube-mass spectrometer system employing the Bradbury-Nielsen time of flight technique. Measurements were performed at 294 K and 80 K. The 'three temperature' theory of Lin, Viehland and Mason was used to fit interaction potentials to the present data. Detailed comparisons are made here only for the case of Li + ions in helium. The new data for 80 K provide additional information on the potential at internuclear separations which cover the range to 5 A. (Authors)

  10. Modeling the ion transfer and polarization of ion exchange membranes in bioelectrochemical systems.

    Science.gov (United States)

    Harnisch, Falk; Warmbier, Robert; Schneider, Ralf; Schröder, Uwe

    2009-06-01

    An explicit numerical model for the charge balancing ion transfer across monopolar ion exchange membranes under conditions of bioelectrochemical systems is presented. Diffusion and migration equations have been solved according to the Nernst-Planck Equation and the resulting ion concentrations, pH values and the resistance values of the membrane for different conditions were computed. The modeling results underline the principle limitations of the application of ion exchange membranes in biological fuel cells and electrolyzers, caused by the inherent occurrence of a pH-gradient between anode and cathode compartment, and an increased ohmic membrane resistance at decreasing electrolyte concentrations. Finally, the physical and numerical limitations of the model are discussed.

  11. Interaction of ion clusters with fusion plasmas: Scaling laws

    International Nuclear Information System (INIS)

    Arista, N.R.; Bringa, E.M.

    1997-01-01

    The interaction between large ion clusters or very intense ion beams with fusion plasma is studied using the dielectric function formalism with appropriate quantum corrections. The contributions from individual and collective modes to the energy loss are calculated. The general properties of the interference effects are characterized in terms of the relevant parameters, and simple scaling laws are obtained. In particular, the conditions for a maximum enhancement in the energy deposition are derived. The study provides a unified view and a general formulation of collective effects in the energy loss for low and high velocities of the beam particles. copyright 1997 The American Physical Society

  12. Applications of ion implantation for modifying the interactions between metals and hydrogen gas

    Science.gov (United States)

    Musket, R. G.

    1989-04-01

    Ion implantations into metals have been shown recently to either reduce or enhance interactions with gaseous hydrogen. Published studies concerned with modifications of these interactions are reviewed and discussed in terms of the mechanisms postulated to explain the observed changes. The interactions are hydrogenation, hydrogen permeation, and hydrogen embrittlement. In particular, the results of the reviewed studies are (a) uranium hydriding suppressed by implantation of oxygen and carbon, (b) hydrogen gettered in iron and nickel using implantation of titanium, (c) hydriding of titanium catalyzed by implanted palladium, (d) tritium permeation of 304L stainless steel reduced using selective oxidation of implanted aluminum, and (e) hydrogen attack of a low-alloy steel accelerated by implantation of helium. These studies revealed ion implantation to be an effective method for modifying the interactions of hydrogen gas with metals.

  13. Cluster ion-surface interactions: from meV to MeV energies

    Energy Technology Data Exchange (ETDEWEB)

    Nordlund, Kai; Meinander, Kristoffer; Jaervi, Tommi T.; Peltola, Jarkko; Samela, Juha [Accelerator Laboratory, University of Helsinki (Finland)

    2008-07-01

    The nature of cluster ion-surface interactions changes dramatically with the kinetic energy of the incoming cluster species. In this talk I review some of our recent work on the nature of cluster-surface interactions spanning an energy range from a few MeV/cluster to about 1 MeV/cluster and cluster sizes in the range of 10 - 1000 atoms/cluster. In the energy range of a few MeV/cluster ion, the kinetic energy of the incoming ion is insignificant compared to the energy gained when the surface potential energy at the cluster-surface interface is released and partly translated into kinetic energy. Even in this energy regime I show that surprisingly drastic effects can occur. When the energy of the incoming cluster is raised to a few eV/atom, the kinetic energy of the incoming cluster starts to affect the deposition. It will cause the cluster to entirely reform on impact. When the energy is raised to the range of keV's/cluster, the clusters start to penetrate the sample, fairly similar to conventional ion implantation. However, in dense targets the cluster ions may stick close to each other long enough to cause a significant enhancement of the heat spike in the material. Finally, I show that at kinetic energies around 1 MeV/cluster the cluster enhancement of the heat spike may lead to dramatic surface effects.

  14. Selective layer-free blood serum ionogram based on ion-specific interactions with a nanotransistor

    Science.gov (United States)

    Sivakumarasamy, R.; Hartkamp, R.; Siboulet, B.; Dufrêche, J.-F.; Nishiguchi, K.; Fujiwara, A.; Clément, N.

    2018-05-01

    Despite being ubiquitous in the fields of chemistry and biology, the ion-specific effects of electrolytes pose major challenges for researchers. A lack of understanding about ion-specific surface interactions has hampered the development and application of materials for (bio-)chemical sensor applications. Here, we show that scaling a silicon nanotransistor sensor down to 25 nm provides a unique opportunity to understand and exploit ion-specific surface interactions, yielding a surface that is highly sensitive to cations and inert to pH. The unprecedented sensitivity of these devices to Na+ and divalent ions can be attributed to an overscreening effect via molecular dynamics. The surface potential of multi-ion solutions is well described by the sum of the electrochemical potentials of each cation, enabling selective measurements of a target ion concentration without requiring a selective organic layer. We use these features to construct a blood serum ionogram for Na+, K+, Ca2+ and Mg2+, in an important step towards the development of a versatile, durable and mobile chemical or blood diagnostic tool.

  15. Magnetism of singlet - singlet ions interacting with an electron gas: application to PrAl2

    International Nuclear Information System (INIS)

    Palermo, L.

    1986-01-01

    Various magnetic quantities are investigated for a system consisting of singlet-singlet ions interacting with an electron gas. In obtaining the magnetic state equations, the molecular field approximation is used. At T=0, an onset magnetic order condition in function of crystal field and exchange parameters and eletronic density of states at Fermi level is derived. A parametric study of the model is performed numerically. Main results are shown on diagrams. From the experimental data existent in the literature for magnetisation, susceptibility and magnetic specific heat of the PrAl 2 , a fitting with the model predictions is obtained using the following parameters: exchange interaction: 611meV; crystal field parameters: 2,5 meV; band with: 10 eV (of a rectangular density of states with 0,8 el/atom). (author) [pt

  16. Interaction of two solitary waves in quantum electron-positron-ion plasma

    International Nuclear Information System (INIS)

    Xu Yanxia; Lin Maimai; Shi Yuren; Duan Wenshan; Liu Zongming; Chen Jianmin

    2011-01-01

    The collision between two ion-acoustic solitary waves with arbitrary colliding angle θ in an unmagnetized, ultracold quantum three-component e-p-i plasma has been investigated. By using the extended Poincare-Lighthill-Kuo (PLK) perturbation method, we obtain the KdV equations and the analytical phase shifts after the collision of two solitary waves in this three-component plasma. The effects of the quantum parameter H, the ratio of Fermi positron temperature to Fermi electron temperature σ, the ratio of Fermi positron number density to Fermi electron number density μ, and the ratio of Fermi ion temperature to Fermi electron temperature ρ on the phase shifts are studied. It is found that these parameters can significantly influence the phase shifts of the solitons.

  17. Simulation of mode converted ion Bernstein wave - beam deuteron interactions on TFTR

    Science.gov (United States)

    Herrmann, Mark; Fisch, Nathaniel

    1998-11-01

    Experiments on TFTR have documented strong interactions between mode converted ion Bernstein waves (MCIBW) and beam deuterons(D. S. Darrow et al.), Nucl. Fusion 36, 509 (1996).^,(N. J. Fisch et al.), IAEA, Vol. 1, p. 271 (1996). This is of particular interest in the study of α channelling, since the most promising scenarios(M. C. Herrmann and N. J. Fisch, Phys. Rev. Lett. 79), 1495 (1997). rely on a suitable combination of MCIBW and Alfvén eigenmodes to achieve the cooling of the α particles. Collisional effects, realistic wave fields, and a detailed model of the wave-particle interaction have been added to the Monte Carlo simulations which are used to simulate α channelling in order to model TFTR experiments(M. C. Herrmann, Ph.D. thesis, Princeton University, 1998.). The results are found to be in qualitative agreement with the data. In addition, the simulation is used, in conjunction with the data, to demonstrate the existence of the k_\\|-flip of the MCIBW, and to infer a diffusion coefficient for the beam deuterons interacting with the wave. This diffusion coefficient significantly exceeds what would be expected on the basis of quasilinear theory with the fields specified by 1 D ray tracing of the MCIBW.

  18. Possible mechanisms for interaction of poly electrolytes with ions in aqueous solution

    International Nuclear Information System (INIS)

    Siyam, T.

    1995-01-01

    The interaction between the active groups of water soluble poly electrolytes such as polyacrylamide 'neutral polymers PAM', poly sodium acrylate 'anionic polymer PAANA', polyacrylamide-diallyamine-hydrochloride 'cationic polymer PAM-DAA-HCl and polyacrylamide-diallylethylamine-hydrochloride 'cationic polymer PAM-DAEA-HCl' with copper sulphate has been carried out under different experimental conditions. Spectroscopic studies show that the mechanism of the flock formation due to interaction between the polymer and copper sulphate is a bond formation between the active group of polymeric chains and copper sulphate. This bond formation depends on the nature of polymer chain. It was also found that the amide groups form complexes with hydrated cations, while both carboxylate-and ammonium groups interact by ion-exchange mechanism. The same studies were applied on polyacrylamideacrylic acid resin 'PAM-AA' resin and copper sulphate. The obtained results show that the resin interacts by the same mechanism, where the amide groups form a complex with hydrated cations, while the carboxylic group interacts by ion-exchange mechanism. 1 fig., 1 tab

  19. Extended Fitts' model of pointing time in eye-gaze input system - Incorporating effects of target shape and movement direction into modeling.

    Science.gov (United States)

    Murata, Atsuo; Fukunaga, Daichi

    2018-04-01

    This study attempted to investigate the effects of the target shape and the movement direction on the pointing time using an eye-gaze input system and extend Fitts' model so that these factors are incorporated into the model and the predictive power of Fitts' model is enhanced. The target shape, the target size, the movement distance, and the direction of target presentation were set as within-subject experimental variables. The target shape included: a circle, and rectangles with an aspect ratio of 1:1, 1:2, 1:3, and 1:4. The movement direction included eight directions: upper, lower, left, right, upper left, upper right, lower left, and lower right. On the basis of the data for identifying the effects of the target shape and the movement direction on the pointing time, an attempt was made to develop a generalized and extended Fitts' model that took into account the movement direction and the target shape. As a result, the generalized and extended model was found to fit better to the experimental data, and be more effective for predicting the pointing time for a variety of human-computer interaction (HCI) task using an eye-gaze input system. Copyright © 2017. Published by Elsevier Ltd.

  20. The interaction between network ties and business modeling : Case studies of sustainability-oriented innovations

    NARCIS (Netherlands)

    Oskam, Inge; Bossink, Bart; de Man, Ard Pieter

    2018-01-01

    A stream of literature is emerging where network development and business modeling intersect. Various authors emphasize that networks influence business models. This paper extends this stream of literature by studying two cases in which we analyze how business modeling and networking interact over

  1. The Interaction between network ties and business modeling : case studies of sustainability-oriented innovations

    NARCIS (Netherlands)

    Oskam, Inge; Bossink, Bart; de Man, Ard-Pieter

    2018-01-01

    A stream of literature is emerging where network development and business modeling intersect. Various authors emphasize that networks influence business models. This paper extends this stream of literature by studying two cases in which we analyze how business modeling and networking interact over

  2. Defect-impurity interactions in ion-implanted metals

    International Nuclear Information System (INIS)

    Turos, A.

    1986-01-01

    An overview of defect-impurity interactions in metals is presented. When point defects become mobile they migrate towards the sinks and on the way can be captured by impurity atoms forming stable associations so-called complexes. In some metallic systems complexes can also be formed athermally during ion implantation by trapping point defects already in the collision cascade. An association of a point defect with an impurity atom leads to its displacement from the lattice site. The structure and stability of complexes are strongly temperature dependent. With increasing temperature they dissociate or grow by multiple defect trapping. The appearance of freely migrating point defects at elevated temperatures, due to ion bombardment or thermal annealing, causes via coupling with defect fluxes, important impurity redistribution. Because of the sensitivity of many metal-in-metal implanted systems to radiation damage the understanding of this processes is essential for a proper interpretation of the lattice occupancy measurements and the optimization of implantation conditions. (author)

  3. The surface chemistry of divalent metal carbonate minerals; a critical assessment of surface charge and potential data using the charge distribution multi-site ion complexation model

    NARCIS (Netherlands)

    Wolthers, M.; Charlet, L.; Van Cappellen, P.

    2008-01-01

    The Charge Distribution MUltiSite Ion Complexation or CD–MUSIC modeling approach is used to describe the chemical structure of carbonate mineralaqueous solution interfaces. The new model extends existing surface complexation models of carbonate minerals, by including atomic scale information on

  4. Extendable linearised adjustment model for deformation analysis

    NARCIS (Netherlands)

    Hiddo Velsink

    2015-01-01

    Author supplied: "This paper gives a linearised adjustment model for the affine, similarity and congruence transformations in 3D that is easily extendable with other parameters to describe deformations. The model considers all coordinates stochastic. Full positive semi-definite covariance matrices

  5. Extendable linearised adjustment model for deformation analysis

    NARCIS (Netherlands)

    Velsink, H.

    2015-01-01

    This paper gives a linearised adjustment model for the affine, similarity and congruence transformations in 3D that is easily extendable with other parameters to describe deformations. The model considers all coordinates stochastic. Full positive semi-definite covariance matrices and correlation

  6. 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

  7. Modeling all-solid-state Li-ion batteries

    NARCIS (Netherlands)

    Danilov, D.; Niessen, R.A.H.; Notten, P.H.L.

    2011-01-01

    A mathematical model for all-solid-state Li-ion batteries is presented. The model includes the charge transfer kinetics at the electrode/electrolyte interface, diffusion of lithium in the intercalation electrode, and diffusion and migration of ions in the electrolyte. The model has been applied to

  8. Conformal standard model with an extended scalar sector

    Energy Technology Data Exchange (ETDEWEB)

    Latosiński, Adam [Max-Planck-Institut für Gravitationsphysik (Albert-Einstein-Institut),Mühlenberg 1, D-14476 Potsdam (Germany); Lewandowski, Adrian; Meissner, Krzysztof A. [Faculty of Physics, University of Warsaw,Pasteura 5, 02-093 Warsaw (Poland); Nicolai, Hermann [Max-Planck-Institut für Gravitationsphysik (Albert-Einstein-Institut),Mühlenberg 1, D-14476 Potsdam (Germany)

    2015-10-26

    We present an extended version of the Conformal Standard Model (characterized by the absence of any new intermediate scales between the electroweak scale and the Planck scale) with an enlarged scalar sector coupling to right-chiral neutrinos. The scalar potential and the Yukawa couplings involving only right-chiral neutrinos are invariant under a new global symmetry SU(3){sub N} that complements the standard U(1){sub B−L} symmetry, and is broken explicitly only by the Yukawa interaction, of order O(10{sup −6}), coupling right-chiral neutrinos and the electroweak lepton doublets. We point out four main advantages of this enlargement, namely: (1) the economy of the (non-supersymmetric) Standard Model, and thus its observational success, is preserved; (2) thanks to the enlarged scalar sector the RG improved one-loop effective potential is everywhere positive with a stable global minimum, thereby avoiding the notorious instability of the Standard Model vacuum; (3) the pseudo-Goldstone bosons resulting from spontaneous breaking of the SU(3){sub N} symmetry are natural Dark Matter candidates with calculable small masses and couplings; and (4) the Majorana Yukawa coupling matrix acquires a form naturally adapted to leptogenesis. The model is made perturbatively consistent up to the Planck scale by imposing the vanishing of quadratic divergences at the Planck scale (‘softly broken conformal symmetry’). Observable consequences of the model occur mainly via the mixing of the new scalars and the standard model Higgs boson.

  9. Extending product modeling methods for integrated product development

    DEFF Research Database (Denmark)

    Bonev, Martin; Wörösch, Michael; Hauksdóttir, Dagný

    2013-01-01

    Despite great efforts within the modeling domain, the majority of methods often address the uncommon design situation of an original product development. However, studies illustrate that development tasks are predominantly related to redesigning, improving, and extending already existing products...... and PVM methods, in a presented Product Requirement Development model some of the individual drawbacks of each method could be overcome. Based on the UML standard, the model enables the representation of complex hierarchical relationships in a generic product model. At the same time it uses matrix....... Updated design requirements have then to be made explicit and mapped against the existing product architecture. In this paper, existing methods are adapted and extended through linking updated requirements to suitable product models. By combining several established modeling techniques, such as the DSM...

  10. Applications of ion implantation for modifying the interactions between metals and hydrogen gas

    International Nuclear Information System (INIS)

    Musket, R.G.

    1989-01-01

    Ion implantations into metals have been shown recently to either reduce or enhance interactions with gaseous hydrogen. Published studies concerned with modifications of these interactions are reviewed and discussed in terms of the mechanisms postulated to explain the observed changes. The interactions are hydrogenation, hydrogen permeation and hydrogen embrittlement. In particular, the results of the reviewed studies are 1. uranium hydriding suppressed by implantation of oxygen and carbon, 2. hydrogen gettered in iron and nickel using implantation of titanium, 3. hydriding of titanium catalyzed by implanted palladium, 4. tritium permeation of 304L stainless steel reduced using selective oxidation of implanted aluminum, and 5. hydrogen attack of a low-alloy steel accelerated by implantation of helium. These studies revealed ion implantation to be an effective method for modifying the interactions of hydrogen gas with metals. (orig.)

  11. 2nd-order optical model of the isotopic dependence of heavy ion absorption cross sections for radiation transport studies

    Science.gov (United States)

    Cucinotta, Francis A.; Yan, Congchong; Saganti, Premkumar B.

    2018-01-01

    Heavy ion absorption cross sections play an important role in radiation transport codes used in risk assessment and for shielding studies of galactic cosmic ray (GCR) exposures. Due to the GCR primary nuclei composition and nuclear fragmentation leading to secondary nuclei heavy ions of charge number, Z with 3 ≤ Z ≥ 28 and mass numbers, A with 6 ≤ A ≥ 60 representing about 190 isotopes occur in GCR transport calculations. In this report we describe methods for developing a data-base of isotopic dependent heavy ion absorption cross sections for interactions. Calculations of a 2nd-order optical model solution to coupled-channel solutions to the Eikonal form of the nucleus-nucleus scattering amplitude are compared to 1st-order optical model solutions. The 2nd-order model takes into account two-body correlations in the projectile and target ground-states, which are ignored in the 1st-order optical model. Parameter free predictions are described using one-body and two-body ground state form factors for the isotopes considered and the free nucleon-nucleon scattering amplitude. Root mean square (RMS) matter radii for protons and neutrons are taken from electron and muon scattering data and nuclear structure models. We report on extensive comparisons to experimental data for energy-dependent absorption cross sections for over 100 isotopes of elements from Li to Fe interacting with carbon and aluminum targets. Agreement between model and experiments are generally within 10% for the 1st-order optical model and improved to less than 5% in the 2nd-order optical model in the majority of comparisons. Overall the 2nd-order optical model leads to a reduction in absorption compared to the 1st-order optical model for heavy ion interactions, which influences estimates of nuclear matter radii.

  12. Measurements of the Properties of Highly-charged high-Z ions

    International Nuclear Information System (INIS)

    Augustine J. Smith, Ph.D.

    2007-01-01

    We had proposed carrying out a systematic experimental investigation of the atomic physics of highly charged, high-Z ions, produced in the Lawrence Livermore National Laboratory LLNL electron beam ion trap (EBIT-I) in its high energy mode, superEBIT. In particular we were going to accurately measure line positions for Δn=0 transitions in few electron high-Z ions; this was meant to enable us to investigate relativistic and quantum electrodynamics QED contributions to the energy levels as well as the nuclear properties of heavy ions. We were also going to measure cross sections for various electron-ion interactions, the degree of polarization of emitted x-rays, and radiation cooling rates of various ionization stages of highly charged, high-Z ions. This would enable us to study fundamental atomic physics of high-Z ions at relativistic electron impact energies and in the intense nuclear fields of highly ionized, high-Z ions. This would extend previous measurements we have carried out to a regime where there is a paucity of good data. These measurements were expected to generate increased theoretical interest and activity in this area. The project will extend a very successful collaboration between Morehouse College (MC) and a national laboratory LLNL, Minority student training and development are major components of the proposal

  13. Ion-solid interaction at low energies: principles and application of quantitative ISS

    International Nuclear Information System (INIS)

    Niehus, H.; Spitzl, R.

    1991-01-01

    Quantitative surface analysis with low-energy (500-5000 eV) ion scattering spectroscopy is known to be difficult, most often because of strong charge transfer and multiple scattering effects occurring during ion-surface interaction. In order to avoid neutralization problems, either alkali primary ions or noble gas ions in combination with the detection of all scattered particles was applied. Multiple scattering occurs predominantly at forward scattering and might confound the analysis. Backward scattering (i.e. 180 o impact collision ion scattering) bypasses strongly the multiple scattering complication and has been used successfully for the analysis of a number of surface structures for metals, semiconductors and binary alloys. A simple triangulation concept gives access to mass-selective qualitative surface crystallography. Quantitative surface structures were determined by comparison with computer simulations. (author)

  14. Ion spectroscopy for improvement of the physical beam model for therapy planning in ion beam therapy

    Energy Technology Data Exchange (ETDEWEB)

    Arico, Giulia

    2016-11-23

    Helium and carbon ions enable a more conformal dose distribution, narrower penumbra and higher relative biological effectiveness than photon and proton radiotherapy. However, they may undergo nuclear fragmentation in the patient tissues and the arising secondary fragments affect the delivered biological dose distributions. Currently there is a lack of data regarding ion nuclear fragmentation. One reason is the large size (up to some meters) of the experimental setups required for the investigations. In this thesis a new method is presented, which makes use of versatile pixelated semiconductor detectors (Timepix). This method is based on tracking of single particles and pattern recognition of their signals in the detectors. Measurements were performed at the HIT facility. The mixed radiation field arising from 430 MeV/u carbon ion beams and 221 MeV/u helium ion beams in water and in PMMA targets was investigated. The amounts of primary (carbon or helium) ions detected behind targets with the same water equivalent thickness (WET) were found to be in agreement within the statistical uncertainties. However, more fragments (differences up to 20% in case of H) and narrower lateral particle distributions were measured behind the PMMA than the water targets. The spectra of ions behind tissue surrogates and corresponding water targets with the same WET were analysed. The results obtained with adipose and inner bone surrogates and with the equivalent water phantoms were found to be consistent within the uncertainties. Significant differences in the results were observed in the case of lung and cortical bone surrogates when compared to the water phantoms. The experimental results were compared to FLUKA Monte Carlo simulations. This comparison could contribute to enhance the ion interaction models currently implemented for {sup 12}C and {sup 4}He ion beams.

  15. Control of ion beam generation in intense short pulse laser target interaction

    International Nuclear Information System (INIS)

    Nagashima, T.; Izumiyama, T.; Barada, D.; Kawata, S.; Gu, Y.J.; Wang, W.M.; Ma, Y.Y.; Kong, Q.

    2013-01-01

    In intense laser plasma interaction, several issues still remain to be solved for future laser particle acceleration. In this paper we focus on a control of generation of high-energy ions. In this study, near-critical density plasmas are employed and are illuminated by high intensity short laser pulses; we have successfully generated high-energy ions, and also controlled ion energy and the ion energy spectrum by multiple-stages acceleration. We performed particle-in-cell simulations in this paper. The first near-critical plasma target is illuminated by a laser pulse, and the ions accelerated are transferred to the next target. The next identical target is also illuminated by another identical large pulse, and the ion beam introduced is further accelerated and controlled. In this study four stages are employed, and finally a few hundreds of MeV of protons are realized. A quasi-monoenergetic energy spectrum is also obtained. (author)

  16. Social phenotype extended to communities: expanded multilevel social selection analysis reveals fitness consequences of interspecific interactions.

    Science.gov (United States)

    Campobello, Daniela; Hare, James F; Sarà, Maurizio

    2015-04-01

    In social species, fitness consequences are associated with both individual and social phenotypes. Social selection analysis has quantified the contribution of conspecific social traits to individual fitness. There has been no attempt, however, to apply a social selection approach to quantify the fitness implications of heterospecific social phenotypes. Here, we propose a novel social selection based approach integrating the role of all social interactions at the community level. We extended multilevel selection analysis by including a term accounting for the group phenotype of heterospecifics. We analyzed nest activity as a model social trait common to two species, the lesser kestrel (Falco naumanni) and jackdaw (Corvus monedula), nesting in either single- or mixed-species colonies. By recording reproductive outcome as a measure of relative fitness, our results reveal an asymmetric system wherein only jackdaw breeding performance was affected by the activity phenotypes of both conspecific and heterospecific neighbors. Our model incorporating heterospecific social phenotypes is applicable to animal communities where interacting species share a common social trait, thus allowing an assessment of the selection pressure imposed by interspecific interactions in nature. Finally, we discuss the potential role of ecological limitations accounting for random or preferential assortments among interspecific social phenotypes, and the implications of such processes to community evolution. © 2015 The Author(s).

  17. Experimental evidence of beam-foil plasma creation during ion-solid interaction

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Prashant, E-mail: prashant@iuac.res.in; Nandi, Tapan [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India)

    2016-08-15

    Charge state evolution of the energetic projectile ions during the passage through thin carbon foils has been revisited using the X-ray spectroscopy technique. Contributions from the bulk and the solid surface in the charge changing processes have been segregated by measuring the charge state distribution of the projectile ions in the bulk of the target during the ion–solid interaction. Interestingly, the charge state distribution measured in the bulk exhibits Lorentzian profile in contrast to the well-known Gaussian structure observed using the electromagnetic methods and the theoretical predictions. The occurrence of such behavior is a direct consequence of the imbalance between charge changing processes, which has been seen in various cases of the laboratory plasma. It suggests that the ion-solid collisions constitute high-density, localized plasma in the bulk of the solid target, called the beam-foil plasma. This condensed beam-foil plasma is similar to the high-density solar and stellar plasma which may have practical implementations in various fields, in particular, plasma physics and nuclear astrophysics. The present work suggests further modification in the theoretical charge state distribution calculations by incorporating the plasma coupling effects during the ion–solid interactions. Moreover, the multi-electron capture from the target exit surface has been confirmed through comparison between experimentally measured and theoretically predicted values of the mean charge state of the projectile ions.

  18. A detailed physical model for ion implant induced damage in silicon

    International Nuclear Information System (INIS)

    Tian, S.; Morris, M.F.; Morris, S.J.; Obradovic, B.; Wang, G.; Tasch, A.F.

    1998-01-01

    A unified physically based ion implantation damage model has been developed which successfully predicts both the impurity profiles and the damage profiles for a wide range of implant conditions for arsenic, phosphorus, BF 2 , and boron implants into single-crystal silicon. In addition, the amorphous layer thicknesses predicted by this new damage model are also in excellent agreement with experimental measurements. This damage model is based on the physics of point defects in silicon, and explicitly simulates the defect production, diffusion, and their interactions which include interstitial-vacancy recombination, clustering of same type of defects, defect-impurity complex formation, emission of mobile defects from clusters, and surface effects for the first time. New computationally efficient algorithms have been developed to overcome the barrier of the excessive computational requirements. In addition, the new model has been incorporated in the UT-MARLOWE ion implantation simulator, and has been developed primarily for use in engineering workstations. This damage model is the most physical model in the literature to date within the framework of the binary collision approximation (BCA), and provides the required, accurate as-implanted impurity profiles and damage profiles for transient enhanced diffusion (TED) simulation

  19. Chemical Interaction between U(VI) and Eu(III) ions on a Silica Surface

    International Nuclear Information System (INIS)

    Park, K. K.; Cha, W. S.; Cho, H. R.; Im, H. J.; Jung, E. C.

    2010-01-01

    Understanding the chemical behavior of actinide in groundwater flow is important for assessing the possibility of its migration with water flow in the radioactive waste disposal site. Precipitation/ dissolution in groundwater and adsorption/desorption onto a geological solid surface would determine its migration. The sorption in a geochemical system was expected to be a reaction on a naturally equilibrated surface. However, the construction of a waste disposal facility could disturb this equilibrium state, induce a new reaction environment and affect a nanoscopic surface reaction of actinide. Uranium is ubiquitous in the natural environment and a representative element in a nuclear fuel cycle and in a high level radioactive waste. In oxic environments, it is typically present as uranyl oxocation (UO 2 2+ ), which is easily adsorbed and thereby removed from a solution in the near neutral pH range. This adsorption would form a new surface condition to give an unexpected adsorption behavior for other actinide ions. Eu(III) frequently is used as a chemical analogue of Am(III) and Cm(III) in migration chemistry. The adsorption phenomena has been interpreted with the help of a SCM(surface complexation model). Some spectroscopic techniques such as EPR (Electron Paramagnetic Resonance), IR (InfraRed), EXAFS (Extended X-ray Absorption Fine Structure) and TRLFS (Time Resolved Laser Fluorescence Spectroscopy) have been used for the identification of a modeled adsorbing species. In the case of fluorescence elements, TRLFS has advantages over other techniques for its high sensitivity being proportional to laser source intensity and good selectivity depending on specific transition and lifetime. This technique can be applied to a species on a solid surface not absorbing light such as silica. U(VI) and Eu(III) have fluorescente properties reflecting their coordination structure. In this study, the interaction between U(VI) and Eu(III) on a silica surface was studied by a

  20. Poisson-Nernst-Planck-Fermi theory for modeling biological ion channels

    International Nuclear Information System (INIS)

    Liu, Jinn-Liang; Eisenberg, Bob

    2014-01-01

    A Poisson-Nernst-Planck-Fermi (PNPF) theory is developed for studying ionic transport through biological ion channels. Our goal is to deal with the finite size of particle using a Fermi like distribution without calculating the forces between the particles, because they are both expensive and tricky to compute. We include the steric effect of ions and water molecules with nonuniform sizes and interstitial voids, the correlation effect of crowded ions with different valences, and the screening effect of water molecules in an inhomogeneous aqueous electrolyte. Including the finite volume of water and the voids between particles is an important new part of the theory presented here. Fermi like distributions of all particle species are derived from the volume exclusion of classical particles. Volume exclusion and the resulting saturation phenomena are especially important to describe the binding and permeation mechanisms of ions in a narrow channel pore. The Gibbs free energy of the Fermi distribution reduces to that of a Boltzmann distribution when these effects are not considered. The classical Gibbs entropy is extended to a new entropy form — called Gibbs-Fermi entropy — that describes mixing configurations of all finite size particles and voids in a thermodynamic system where microstates do not have equal probabilities. The PNPF model describes the dynamic flow of ions, water molecules, as well as voids with electric fields and protein charges. The model also provides a quantitative mean-field description of the charge/space competition mechanism of particles within the highly charged and crowded channel pore. The PNPF results are in good accord with experimental currents recorded in a 10 8 -fold range of Ca 2+ concentrations. The results illustrate the anomalous mole fraction effect, a signature of L-type calcium channels. Moreover, numerical results concerning water density, dielectric permittivity, void volume, and steric energy provide useful details to

  1. Stochastic hyperfine interactions modeling library

    Science.gov (United States)

    Zacate, Matthew O.; Evenson, William E.

    2011-04-01

    interactions fluctuate at rates comparable to the time scale of a hyperfine method, there is a loss in signal coherence, and spectra are damped. The degree of damping can be used to determine fluctuation rates, provided that theoretical expressions for spectra can be derived for relevant physical models of the fluctuations. SHIML provides routines to help researchers quickly develop code to incorporate stochastic models of fluctuating hyperfine interactions in calculations of hyperfine spectra. Solution method: Calculations are based on the method for modeling stochastic hyperfine interactions for PAC by Winkler and Gerdau [5]. The method is extended to include other hyperfine methods following the work of Dattagupta [6]. The code provides routines for reading model information from text files, allowing researchers to develop new models quickly without the need to modify computer code for each new model to be considered. Restrictions: In the present version of the code, only methods that measure the hyperfine interaction on one probe spin state, such as PAC, μSR, and NMR, are supported. Running time: Varies

  2. Ion-molecule interactions in crossed-beams

    International Nuclear Information System (INIS)

    Hansen, S.G.

    1980-09-01

    Interactions of the ions N + , F + , and CO 2 + with H 2 and/or its isotopes were examined using the crossed-beam technique in the low ( + ( 3 P) + H 2 → NH + + H, complex formation dominates up to 1.9 eV and a substantial interaction occurs between all collision partners up to 3.6 eV. The distribution of N + scattered nonreactively from H 2 also showed a long-lived complex channel below 1.9 eV. The reaction F + ( 3 P) + H 2 →FH + + H proceeded by a direct reaction mechanism at 0.20 to 1.07 eV. The reaction CO 2 + + D 2 → DCO 2 + + D gives asymmetric product distributions at 0.27 eV and above, indicating a direct reaction mechanism. Results indicated that there are probably barriers in the exit channels for DCO 2 + , DCO + , and D 2 O + products. The electronic state distributions of the N + , F + , and CO 2 + beams was investigated using beam attenuation and total luminescence techniques

  3. Interaction of aluminium(3) with uranyl ions in the course of joint hydrolysis

    International Nuclear Information System (INIS)

    Yusov, A.B.; Budantseva, N.A.; Fedoseev, A.M.; Astafurova, L.N.

    2001-01-01

    By means of spectrophotometry, luminescence and IR-spectroscopy one studied interaction of uranyl ions with Al 3+ ions in solutions at pH≥2 and in precipitates at pH≥5. It is shown that within 3-4 pH range the uranyl hydrolyzed forms interact with these of aluminium. Mixed hydroxoaquacomplexes are likely to be formed in solution with U:Al = 1:1 molar ratio. Large-size mixed polymers may be formed with pH increase. Varying of precipitation pH from 5 up to 14 does not minimize the importance of the oligomer mixed compounds for precipitation formation [ru

  4. Model of the dissociative recombination of molecular ions based on the statistical 'phase-space theory'

    International Nuclear Information System (INIS)

    Foltin, M.; Lukac, P.; Morva, I.; Foltin, V.

    2004-01-01

    In the paper the statistical 'phase-space theory' extended for chemical reactions and for dissociative recombination of polyatomic ions is applied to the indirect and direct dissociative recombination of diatomic ions with electrons. Numerical calculations are made for molecular neon ion. The good agreement is obtained with experimental results (Authors)

  5. The baryon-baryon interaction in a modified quark model

    International Nuclear Information System (INIS)

    Zhang Zongye; Faessler, Amand; Straub, U.; Glozman, L.Ya.

    1994-01-01

    The quark-cluster model with coupling constants constraint by chiral symmetry is extended to include strange quarks. In this model, besides the confinement and one-gluon exchange potentials, the pseudoscalar mesons and sigma (σ) meson exchanges are included as the nonperturbative effect. Using this interaction we studied the binding energy of the deuteron, the NN scattering phase shifts and the hyperon-nucleon cross sections in the framework of the resonating group method (RGM). The results are reasonably consistent with experiments. ((orig.))

  6. Development and experimental evaluation of theoretical models for ion cyclotron resonance frequency heating of tokamak plasmas

    International Nuclear Information System (INIS)

    Mantsinen, M.

    1999-01-01

    Heating with electromagnetic waves in the ion cyclotron range of frequencies (ICRF) is a well-established method for auxiliary heating of present-day tokamak plasmas and is envisaged as one of the main heating techniques for the International Thermonuclear Experimental Reactor (ITER) and future reactor plasmas. In order to predict the performance of ICRF heating in future machines, it is important to benchmark present theoretical modelling with experimental results on present tokamaks. This thesis reports on development and experimental evaluation of theoretical models for ICRF heating at the Joint European Torus (JET). Several ICRF physics effects and scenarios have been studied. Direct importance to the ITER is the theoretical analysis of ICRF heating experiments with deuterium-tritium (D-T) plasmas. These experiments clearly demonstrate the potential of ICRF heating for auxiliary heating of reactor plasmas. In particular, scenarios with potential for good bulk ion heating and enhanced D-T fusion reactivity have been identified. Good bulk ion heating is essential for reactor plasmas in order to obtain a high ion temperature and a high fusion reactivity. In JET good bulk ion heating with ICRF waves has been achieved in high-performance discharges by adding ICRF heating to neutral beam injection. In these experiments, as in other JET discharges where damping at higher harmonics of the ion cyclotron frequency takes place, so-called finite Larmor radius (FLR) effects play an important role. Due to FLR effects, the resonating ion velocity distribution function can have a strong influence on the power deposition. Evidence for this effect has been obtained from the third harmonic deuterium heating experiments. Because of FLR effects, the wave-particle interaction can also become weak at certain ion energies, which prevents resonating ions from reaching higher energies. When interacting with the wave, an ion receives not only a change in energy but also a change in

  7. First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction

    Science.gov (United States)

    Schüler, M.; van Loon, E. G. C. P.; Katsnelson, M. I.; Wehling, T. O.

    2018-04-01

    While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small; otherwise, it is finite.

  8. Study on interaction between induced and natural fractures by extended finite element method

    Science.gov (United States)

    Xu, DanDan; Liu, ZhanLi; Zhuang, Zhuo; Zeng, QingLei; Wang, Tao

    2017-02-01

    Fracking is one of the kernel technologies in the remarkable shale gas revolution. The extended finite element method is used in this paper to numerically investigate the interaction between hydraulic and natural fractures, which is an important issue of the enigmatic fracture network formation in fracking. The criteria which control the opening of natural fracture and crossing of hydraulic fracture are tentatively presented. Influence factors on the interaction process are systematically analyzed, which include the approach angle, anisotropy of in-situ stress and fluid pressure profile.

  9. A model for negative ion extraction and comparison of negative ion optics calculations to experimental results

    International Nuclear Information System (INIS)

    Pamela, J.

    1990-10-01

    Negative ion extraction is described by a model which includes electron diffusion across transverse magnetic fields in the sheath. This model allows a 2-Dimensional approximation of the problem. It is used to introduce electron space charge effects in a 2-D particle trajectory code, designed for negative ion optics calculations. Another physical effect, the stripping of negative ions on neutral gas atoms, has also been included in our model; it is found to play an important role in negative ion optics. The comparison with three sets of experimental data from very different negative ion accelerators, show that our model is able of accurate predictions

  10. Ion distributions in a two-dimensional reconnection field geometry

    International Nuclear Information System (INIS)

    Curran, D.B.; Goertz, C.K.; Whelan, T.A.

    1987-01-01

    ISEE observations have shown trapped ion distributions in the magnetosphere along with streaming ion distributions in the magnetosheath. The more energetic ion beams are found to exist further away from the magnetopause than lower-energy ion beams. In order to understand these properties of the data, we have taken a simple two-dimensional reconnection model which contains a neutral line and an azimuthal electric field and compared its predictions with the experimental data of September 8, 1978. Our model explains trapped particles in the magnetosphere due to nonadiabatic mirroring in the magnetosheath and streaming ions in the magnetosheath due to energization at the magnetopause. The model also shows the higher-energy ions extending further into the magnetosheath, away from the magnetopause than the lower-energy ions. This suggests the ion data of September 8, 1978 are consistent with a reconnection geometry. Copyright American Geophysical Union 1987

  11. Electron-electron interaction and transfer ionization in fast ion-atom collisions

    International Nuclear Information System (INIS)

    Voitkiv, A B

    2008-01-01

    Recently it was pointed out that electron capture occurring in fast ion-atom collisions can proceed via a mechanism which earlier was not considered. In the present paper we study this mechanism in more detail. Similarly as in radiative capture, where the electron transfer occurs due to the interaction with the radiation field and proceeds via emission of a photon, within this mechanism the electron capture is caused by the interaction with another atomic electron leading mainly to the emission of the latter. In contrast to the electron-electron Thomas capture, this electron-electron (E-E) mechanism is basically a first-order one having similarities to the kinematic and radiative capture channels. It also possesses important differences with the latter two. Leading to transfer ionization, this first-order capture mechanism results in the electron emission mainly in the direction opposite to the motion of the projectile ion. The same, although less pronounced, feature is also characteristic for the momenta of the target recoil ions produced via this mechanism. It is also shown that the action of the E-E mechanism is clearly seen in recent experimental data on the transfer ionization in fast proton-helium collisions.

  12. The extended sum-rule model view of light and intermediate mass fragment emission in nuclear reactions at intermediate energies

    International Nuclear Information System (INIS)

    Brancus, I.M.; Rebel, H.; Wentz, J.; Corcalciuc, V.

    1989-11-01

    The original sum-rule model worked out by Wilczynski et al. and successfully used for a global description of complete and incomplete fusion reactions has been extended by a term accounting for dissipative processes of the dinuclear system on its way to fusion. When applying to light and heavy ion collisions with various targets at energies in the transitional region, the new term proves to be rather essential for reproducing the element distributions of the fragments emitted from rather asymmetric systems. (orig.) [de

  13. New and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl, hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups

    Directory of Open Access Journals (Sweden)

    A. Zuend

    2011-09-01

    Full Text Available We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups and inorganic ions. Such interactions constitute the salt-effect, may cause liquid-liquid phase separation, and affect the gas-particle partitioning of aerosols. The previous AIOMFAC version was parameterized for alkyl and hydroxyl functional groups of alcohols and polyols. With the goal to describe a wide variety of organic compounds found in atmospheric aerosols, we extend here the parameterization of AIOMFAC to include the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkenyl, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon. Thermodynamic equilibrium data of organic-inorganic systems from the literature are critically assessed and complemented with new measurements to establish a comprehensive database. The database is used to determine simultaneously the AIOMFAC parameters describing interactions of organic functional groups with the ions H+, Li+, Na+, K+, NH4+, Mg2+, Ca2+, Cl, Br, NO3, HSO4, and SO42−. Detailed descriptions of different types of thermodynamic data, such as vapor-liquid, solid-liquid, and liquid-liquid equilibria, and their use for the model parameterization are provided. Issues regarding deficiencies of the database, types and uncertainties of experimental data, and limitations of the model, are discussed. The challenging parameter optimization problem is solved with a novel combination of powerful global minimization

  14. Heavy ion fusion reactions: comparison among different models

    Energy Technology Data Exchange (ETDEWEB)

    Canto, L F; Carlson, B V; Hussein, M S

    1988-03-01

    A comparison among different ion fusion models is presented. In particular, the multistep aspects of the recently proposed Dinucleus Doorway Model are made explicit and the model is confronted with other compound nucleus limitation models. It is suggested that the latter models provide effective one-step descriptions of heavy ion fusion.

  15. Isospin effect of coulomb interaction on momentum dissipation in intermediate energy heavy ion collisions

    International Nuclear Information System (INIS)

    Liu Jianye; Guo Wenjun; Li Xiguo; Xing Yongzhong

    2004-01-01

    The authors investigate the isospin effect of Coulomb interaction on the momentum dissipation or nuclear stopping in the intermediate energy heavy ion collisions by using the isospin-dependent quantum molecular dynamics model. The calculated results show that the Coulomb interaction induces obviously the reductions of the momentum dissipation. The authors also find that the variation amplitude of momentum dissipation induced by the Coulomb interaction depends sensitively on the form and strength of symmetry potential. However, the isospin effect of Coulomb interaction on the momentum dissipation is less than that induced by the in-medium nucleon-nucleon cross section. In this case, Coulomb interaction does not changes obviously the isospin effect of momentum dissipation induced by the in-medium two-body collision. In particular, the Coulomb interaction is preferable for standing up the isospin effect of in-medium nucleon-nucleon cross section on the momentum dissipation and reducing the isospin effect of symmetry potential on it, which is important for obtaining the feature about the sensitive dependence of momentum dissipation on the in-medium nucleon-nucleon cross section and weakly on the symmetry potential. (author)

  16. FTIR spectroscopy structural analysis of the interaction between Lactobacillus kefir S-layers and metal ions

    Science.gov (United States)

    Gerbino, E.; Mobili, P.; Tymczyszyn, E.; Fausto, R.; Gómez-Zavaglia, A.

    2011-02-01

    FTIR spectroscopy was used to structurally characterize the interaction of S-layer proteins extracted from two strains of Lactobacillus kefir (the aggregating CIDCA 8348 and the non-aggregating JCM 5818) with metal ions (Cd +2, Zn +2, Pb +2 and Ni +2). The infrared spectra indicate that the metal/protein interaction occurs mainly through the carboxylate groups of the side chains of Asp and Glut residues, with some contribution of the NH groups belonging to the peptide backbone. The frequency separation between the νCOO - anti-symmetric and symmetric stretching vibrations in the spectra of the S-layers in presence of the metal ions was found to be ca. 190 cm -1 for S-layer CIDCA 8348 and ca. 170 cm -1 for JCM 5818, denoting an unidentate coordination in both cases. Changes in the secondary structures of the S-layers induced by the interaction with the metal ions were also noticed: a general trend to increase the amount of β-sheet structures and to reduce the amount of α-helices was observed. These changes allow the proteins to adjust their structure to the presence of the metal ions at minimum energy expense, and accordingly, these adjustments were found to be more important for the bigger ions.

  17. An extended TRANSCAR model including ionospheric convection: simulation of EISCAT observations using inputs from AMIE

    Directory of Open Access Journals (Sweden)

    P.-L. Blelly

    2005-02-01

    Full Text Available The TRANSCAR ionospheric model was extended to account for the convection of the magnetic field lines in the auroral and polar ionosphere. A mixed Eulerian-Lagrangian 13-moment approach was used to describe the dynamics of an ionospheric plasma tube. In the present study, one focuses on large scale transports in the polar ionosphere. The model was used to simulate a 35-h period of EISCAT-UHF observations on 16-17 February 1993. The first day was magnetically quiet, and characterized by elevated electron concentrations: the diurnal F2 layer reached as much as 1012m-3, which is unusual for a winter and moderate solar activity (F10.7=130 period. An intense geomagnetic event occurred on the second day, seen in the data as a strong intensification of the ionosphere convection velocities in the early afternoon (with the northward electric field reaching 150mVm-1 and corresponding frictional heating of the ions up to 2500K. The simulation used time-dependent AMIE outputs to infer flux-tube transports in the polar region, and to provide magnetospheric particle and energy inputs to the ionosphere. The overall very good agreement, obtained between the model and the observations, demonstrates the high ability of the extended TRANSCAR model for quantitative modelling of the high-latitude ionosphere; however, some differences are found which are attributed to the precipitation of electrons with very low energy. All these results are finally discussed in the frame of modelling the auroral ionosphere with space weather applications in mind.

  18. Disorder structure of free-flow and global jams in the extended BML model

    International Nuclear Information System (INIS)

    Zhao Xiaomei; Xie Dongfan; Jia Bin; Jiang Rui; Gao Ziyou

    2011-01-01

    The original BML model is extended by introducing extended sites, which can hold several vehicles at each time-step. Unexpectedly, the flow in the extended model sharply transits from free-flow to global jams, but the transition is not one-order in original BML model. And congestion in the extended model appears more easily. This can ascribe to the mixture of vehicles from different directions in one site, leading to the drop-off of the capacity of the site. Furthermore, the typical configuration of free flowing and global jams in the extended models is disorder, different from the regular structure in the original model.

  19. Modeling the Lithium Ion Battery

    Science.gov (United States)

    Summerfield, John

    2013-01-01

    The lithium ion battery will be a reliable electrical resource for many years to come. A simple model of the lithium ions motion due to changes in concentration and voltage is presented. The battery chosen has LiCoO[subscript 2] as the cathode, LiPF[subscript 6] as the electrolyte, and LiC[subscript 6] as the anode. The concentration gradient and…

  20. Electromagnetic Waves Dispersion and Interaction of an Annular Beam-Ion Channel System in Plasma Waveguide

    Directory of Open Access Journals (Sweden)

    Jixiong Xiao

    2017-01-01

    Full Text Available A linear theory for the electromagnetic properties and interactions of an annular beam-ion channel system in plasma waveguide is presented. The dispersion relations for two families of propagating modes, including the electrostatic and transverse magnetic modes, are derived. The dependencies of the dispersion behavior and interaction for different wave modes on the thickness of the annular beam and betatron oscillation frequency are studied in detail by numerical calculations. The results show that the inner and outer radii of the beam have different influences on propagation properties of the electrostatic and electromagnetic modes with different betatron oscillation parameters. In the weak ion channel situation, the two types of electrostatic waves, that is, space charge and betatron modes, have no interaction with the transverse magnetic modes. However, in the strong ion channel situation, the transverse magnetic modes will have two branches and a low frequency mode emerged as the new branch. In this case, compared with the solid beam case, the betatron modes not only can interact with the high frequency branch at small wavenumber but also can interact with the low frequency branch at large wavenumber.

  1. Magnetic behavior of a spin-1 Blume-Emery-Griffiths model

    International Nuclear Information System (INIS)

    Mancini, F P

    2010-01-01

    I study the one-dimensional spin-1 Blume-Emery-Griffiths model with bilinear and biquadratic exchange interactions and single-ion crystal field under an applied magnetic field. This model can be exactly mapped into a tight-binding Hubbard model - extended to include intersite interactions - provided one renormalizes the chemical and the on-site potentials, which become temperature dependent. After this transformation, I provide the exact solution of the Blume-Emery-Griffiths model in one dimension by means of the Green's functions and equations of motion formalism. I investigate the magnetic variations of physical quantities - such as magnetization, quadrupolar moment, susceptibility - for different values of the interaction parameters and of the applied field, focusing on the role played by the biquadratic interaction in the breakdown of the magnetization plateaus.

  2. Near-atomic model of microtubule-tau interactions.

    Science.gov (United States)

    Kellogg, Elizabeth H; Hejab, Nisreen M A; Poepsel, Simon; Downing, Kenneth H; DiMaio, Frank; Nogales, Eva

    2018-06-15

    Tau is a developmentally regulated axonal protein that stabilizes and bundles microtubules (MTs). Its hyperphosphorylation is thought to cause detachment from MTs and subsequent aggregation into fibrils implicated in Alzheimer's disease. It is unclear which tau residues are crucial for tau-MT interactions, where tau binds on MTs, and how it stabilizes them. We used cryo-electron microscopy to visualize different tau constructs on MTs and computational approaches to generate atomic models of tau-tubulin interactions. The conserved tubulin-binding repeats within tau adopt similar extended structures along the crest of the protofilament, stabilizing the interface between tubulin dimers. Our structures explain the effect of phosphorylation on MT affinity and lead to a model of tau repeats binding in tandem along protofilaments, tethering together tubulin dimers and stabilizing polymerization interfaces. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

  3. Quantum simulation of spin models on an arbitrary lattice with trapped ions

    International Nuclear Information System (INIS)

    Korenblit, S; Kafri, D; Campbell, W C; Islam, R; Edwards, E E; Monroe, C; Gong, Z-X; Lin, G-D; Duan, L-M; Kim, J; Kim, K

    2012-01-01

    A collection of trapped atomic ions represents one of the most attractive platforms for the quantum simulation of interacting spin networks and quantum magnetism. Spin-dependent optical dipole forces applied to an ion crystal create long-range effective spin–spin interactions and allow the simulation of spin Hamiltonians that possess nontrivial phases and dynamics. Here we show how the appropriate design of laser fields can provide for arbitrary multidimensional spin–spin interaction graphs even for the case of a linear spatial array of ions. This scheme uses currently available trap technology and is scalable to levels where the classical methods of simulation are intractable. (paper)

  4. Identification and modelling of Lithium ion battery

    International Nuclear Information System (INIS)

    Tsang, K.M.; Sun, L.; Chan, W.L.

    2010-01-01

    A universal battery model for the charging process has been identified for Lithium ion battery working at constant temperature. Mathematical models are fitted to different collected charging profiles using the least squares algorithm. With the removal of the component which is related to the DC resistance of the battery, a universal model can be fitted to predict profiles of different charging rates after time scaling. Experimental results are included to demonstrate the goodness of fit of the model at different charging rates and for batteries of different capacities. Comparison with standard electrical-circuit model is also presented. With the proposed model, it is possible to derive more effective way to monitor the status of Lithium ion batteries, and to develop a universal quick charger for different capacities of batteries to result with a more effective usage of Lithium ion batteries.

  5. In silico assessment of interaction of sea anemone toxin APETx2 and acid sensing ion channel 3

    International Nuclear Information System (INIS)

    Rahman, Taufiq; Smith, Ewan St. John

    2014-01-01

    Highlights: • We have made a reasonable model of rat ASIC3 using published structure of chicken ASIC1. • We have docked sea anemone toxin APETx2 on the model. • We have identified two putative sites for toxin binding. • We have argued for plausibility one site over the other. • We have identified the residues that are likely to be critical for APETx2–ASIC3 interaction. - Abstract: Acid sensing ion channels (ASICs) are proton-gated cation channels that are expressed throughout the nervous system and have been implicated in mediating sensory perception of noxious stimuli. Amongst the six ASIC isoforms, ASIC1a, 1b, 2a and 3 form proton-gated homomers, which differ in their activation and inactivation kinetics, expression profiles and pharmacological modulation; protons do not gate ASIC2b and ASIC4. As with many other ion channels, structure-function studies of ASICs have been greatly aided by the discovery of some toxins that act in isoform-specific ways. ASIC3 is predominantly expressed by sensory neurons of the peripheral nervous system where it acts to detect acid as a noxious stimulus and thus plays an important role in nociception. ASIC3 is the only ASIC subunit that is inhibited by the sea anemone (Anthopleura elegantissima)-derived toxin APETx2. However, the molecular mechanism by which APETx2 interacts with ASIC3 remains largely unknown. In this study, we made a homology model of ASIC3 and used extensive protein–protein docking to predict for the first time, the probable sites of APETx2 interaction on ASIC3. Additionally, using computational alanine scanning, we also suggest the ‘hot-spots’ that are likely to be critical for ASIC3–APETx2 interaction

  6. In silico assessment of interaction of sea anemone toxin APETx2 and acid sensing ion channel 3

    Energy Technology Data Exchange (ETDEWEB)

    Rahman, Taufiq, E-mail: mtur2@cam.ac.uk; Smith, Ewan St. John

    2014-07-18

    Highlights: • We have made a reasonable model of rat ASIC3 using published structure of chicken ASIC1. • We have docked sea anemone toxin APETx2 on the model. • We have identified two putative sites for toxin binding. • We have argued for plausibility one site over the other. • We have identified the residues that are likely to be critical for APETx2–ASIC3 interaction. - Abstract: Acid sensing ion channels (ASICs) are proton-gated cation channels that are expressed throughout the nervous system and have been implicated in mediating sensory perception of noxious stimuli. Amongst the six ASIC isoforms, ASIC1a, 1b, 2a and 3 form proton-gated homomers, which differ in their activation and inactivation kinetics, expression profiles and pharmacological modulation; protons do not gate ASIC2b and ASIC4. As with many other ion channels, structure-function studies of ASICs have been greatly aided by the discovery of some toxins that act in isoform-specific ways. ASIC3 is predominantly expressed by sensory neurons of the peripheral nervous system where it acts to detect acid as a noxious stimulus and thus plays an important role in nociception. ASIC3 is the only ASIC subunit that is inhibited by the sea anemone (Anthopleura elegantissima)-derived toxin APETx2. However, the molecular mechanism by which APETx2 interacts with ASIC3 remains largely unknown. In this study, we made a homology model of ASIC3 and used extensive protein–protein docking to predict for the first time, the probable sites of APETx2 interaction on ASIC3. Additionally, using computational alanine scanning, we also suggest the ‘hot-spots’ that are likely to be critical for ASIC3–APETx2 interaction.

  7. Extended data acquisition support at GSI

    International Nuclear Information System (INIS)

    Marinescu, D.C.; Busch, F.; Hultzsch, H.; Lowsky, J.; Richter, M.

    1984-01-01

    The Experiment Data Acquisition and Analysis System (EDAS) of GSI, designed to support the data processing associated with nuclear physics experiments, provides three modes of operation: real-time, interactive replay and batch replay. The real-time mode is used for data acquisition and data analysis during an experiment performed at the heavy ion accelerator at GSI. An experiment may be performed either in Stand Alone Mode, using only the Experiment Computers, or in Extended Mode using all computing resources available. The Extended Mode combines the advantages of the real-time response of a dedicated minicomputer with the availability of computing resources in a large computing environment. This paper first gives an overview of EDAS and presents the GSI High Speed Data Acquisition Network. Data Acquisition Modes and the Extended Mode are then introduced. The structure of the system components, their implementation and the functions pertinent to the Extended Mode are presented. The control functions of the Experiment Computer sub-system are discussed in detail. Two aspects of the design of the sub-system running on the mainframe are stressed, namely the use of a multi-user installation for real-time processing and the use of a high level programming language, PL/I, as an implementation language for a system which uses parallel processing. The experience accumulated is summarized in a number of conclusions

  8. Simulating demand for innovative radiotherapies: An illustrative model based on carbon ion and proton radiotherapy

    International Nuclear Information System (INIS)

    Pommier, Pascal; Lievens, Yolande; Feschet, Fabien; Borras, Josep M.; Baron, Marie Helene; Shtiliyanova, Anastasiya; Pijls-Johannesma, Madelon

    2010-01-01

    Background and purpose: Innovative therapies are not only characterized by major uncertainties regarding clinical benefit and cost but also the expected recruitment of patients. An original model was developed to simulate patient recruitment to a costly particle therapy by varying layout of the facility and patient referral (one vs. several countries) and by weighting the treated indication by the expected benefit of particle therapy. Material and methods: A multi-step probabilistic spatial model was used to allocate patients to the optimal treatment strategy and facility taking into account the estimated therapeutic gain from the new therapy for each tumour type, the geographical accessibility of the facilities and patient preference. Recruitment was simulated under different assumptions relating to the demand and supply. Results: Extending the recruitment area, reducing treatment capacity, equipping all treatment rooms with a carbon ion gantry and inclusion of proton protocols in carbon ion facilities led to an increased proportion of indications with the highest expected benefit. Assuming the existence of a competing carbon ions facility, lower values of therapeutic gain, and a greater unwillingness of patients to travel for treatment increased the proportion of indications with low expected benefit. Conclusions: Modelling patient recruitment may aid decision-making when planning new and expensive treatments.

  9. Ion collection from laser-induced plasma by applying radio-frequency voltage

    International Nuclear Information System (INIS)

    Shibata, Takemasa; Ogura, Koichi

    1995-01-01

    Ions were collected on the electrodes from a laser resonance photoionized plasma by applying 1.8MHz radio-frequency voltage to the electrode. It was demonstrated that the ions are collected in a shorter time at the same kinetic energy of the collected ions compared with ion collection by applying DC voltage to the electrode. A simple one-dimensional model was extended for prediction of ion collection times in the cases of applications of not only the DC voltage but also the radio-frequency voltage. The ion collection times estimated using the simple one-dimensional model agreed with experimental values in both cases of DC and radio-frequency voltages. (author)

  10. Potential interaction between zinc ions and a cyclodextrin-based diclofenac formulation.

    Science.gov (United States)

    Hamdan, Imad I; El-Sabawi, Dina; Abdel Jalil, Mariam

    2016-03-01

    Complexes of diclofenac sodium (DF-Na) with hydroxypropyl betacyclodextrin (HPβCD) were prepared by co-evaporation in a 1:1 ratio and characterized in light of previously reported data. Phase solubility diagrams were obtained for DF-Na with HPβCD in the presence and absence of zinc ions. Dissolution profiles were obtained for DF-Na and its HPβCD complex at acidic (pH 1.2) as well as in phosphate buffer (pH 6.8), in the presence and absence of zinc. HPβCD, as expected, was shown to improve the dissolution of DF-Na in acidic medium but not in phosphate buffer (pH 6.8). The presence of zinc ions decreased the in vitro dissolution of DF-HPβCD complex in acidic medium (pH 1.2) but not in phosphate buffer (pH 6.8). It was confirmed that the precipitate that was formed by zinc ions in the presence of HPβCD and DF-Na contained no cyclodextrin and most likely it was a mixture of the complexes: DF 2 -Zn and DF-Zn with some molecules of water. In vivo experiments on rats have shown that HPβCD has no statistically significant effect on absorption or bioavailability of DF-Na in spite of the observed improvement of its in vitro dissolution by HPβCD. Moreover, zinc ions were shown to decrease the absorption rate of DF-Na in rats model but did neither significantly alter the absorption nor bioavailability of DF-HPβCD complex. The zinc induced precipitates of DF were shown to have significantly different crystalline properties when HPβCD was present. Therefore, the pharmaceutical details of a DF-Na preparation should be considered when designing the formulation and predicting possible interaction between DF-Na (or other potential NSAIDs) and zinc metal.

  11. Ion Acceleration from the Interaction of Ultra-Intense Lasers with Solid Foils

    International Nuclear Information System (INIS)

    Allen, M

    2004-01-01

    The discovery that ultra-intense laser pulses (I > 10 18 W/cm 2 ) can produce short pulse, high energy proton beams has renewed interest in the fundamental mechanisms that govern particle acceleration from laser-solid interactions. Experiments have shown that protons present as hydrocarbon contaminants on laser targets can be accelerated up to energies > 50 MeV. Different theoretical models that explain the observed results have been proposed. One model describes a front-surface acceleration mechanism based on the ponderomotive potential of the laser pulse. At high intensities (I > 10 18 W/cm 2 ), the quiver energy of an electron oscillating in the electric field of the laser pulse exceeds the electron rest mass, requiring the consideration of relativistic effects. The relativistically correct ponderomotive potential is given by U p = ([1 + Iλ 2 /1.3 x 10 18 ] 1/2 - 1) m o c 2 , where Iλ 2 is the irradiance in W (micro)m 2 /cm 2 and m o c 2 is the electron rest mass. At laser irradiance of Iλ 2 ∼ 10 20 W (micro)m 2 /cm 2 , the ponderomotive potential can be of order several MeV. A few recent experiments--discussed in Chapter 3 of this thesis--consider this ponderomotive potential sufficiently strong to accelerate protons from the front surface of the target to energies up to tens of MeV. Another model, known as Target Normal Sheath Acceleration (TNSA), describes the mechanism as an electrostatic sheath on the back surface of the laser target. According to the TNSA model, relativistic hot electrons created at the laser-solid interaction penetrate the foil where a few escape to infinity. The remaining hot electrons are retained by the target potential and establish an electrostatic sheath on the back surface of the target. In this thesis we present several experiments that study the accelerated ions by affecting the contamination layer from which they originate. Radiative heating was employed as a method of removing contamination from palladium targets doped

  12. Entropy and Multifractality in Relativistic Ion-Ion Collisions

    Directory of Open Access Journals (Sweden)

    Shaista Khan

    2018-01-01

    Full Text Available Entropy production in multiparticle systems is investigated by analyzing the experimental data on ion-ion collisions at AGS and SPS energies and comparing the findings with those reported earlier for hadron-hadron, hadron-nucleus, and nucleus-nucleus collisions. It is observed that the entropy produced in limited and full phase space, when normalized to maximum rapidity, exhibits a kind of scaling which is nicely supported by Monte Carlo model HIJING. Using Rényi’s order q information entropy, multifractal characteristics of particle production are examined in terms of generalized dimensions, Dq. Nearly the same values of multifractal specific heat, c, observed in hadronic and ion-ion collisions over a wide range of incident energies suggest that the quantity c might be used as a universal characteristic of multiparticle production in hadron-hadron, hadron-nucleus, and nucleus-nucleus collisions. The analysis is extended to the study of spectrum of scaling indices. The findings reveal that Rényi’s order q information entropy could be another way to investigate the fluctuations in multiplicity distributions in terms of spectral function f(α, which has been argued to be a convenient function for comparison sake not only among different experiments but also between the data and theoretical models.

  13. Modeling fluid-rock interaction at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Viani, B.E.; Bruton, C.J.

    1992-08-01

    Volcanic rocks at Yucca Mountain, Nevada aie being assessed for their suitability as a potential repository for high-level nuclear waste. Recent progress in modeling fluid-rock interactions, in particular the mineralogical and chemical changes that may accompany waste disposal at Yucca Mountain, will be reviewed in this publication. In Part 1 of this publication, ''Geochemical Modeling of Clinoptilolite-Water Interactions,'' solid-solution and cation-exchange models for the zeolite clinoptilolite are developed and compared to experimental and field observations. At Yucca Mountain, clinoptilolite which is found lining fractures and as a major component of zeolitized tuffs, is expected to play an important role in sequestering radionuclides that may escape from a potential nuclear waste repository. The solid-solution and ion-exchange models were evaluated by comparing predicted stabilities and exchangeable cation distributions of clinoptilolites with: (1) published binary exchange data; (2) compositions of coexisting clinoptilolites and formation waters at Yucca Mountain; (3) experimental sorption isotherms of Cs and Sr on zeolitized tuff, and (4) high temperature experimental data. Good agreement was found between predictions and expertmental data, especially for binary exchange and Cs and Sr sorption on clinoptilolite. Part 2 of this publication, ''Geochemical Simulation of Fluid-Rock Interactions at Yucca Mountain,'' describes preliminary numerical simulations of fluid-rock interactions at Yucca Mountain. The solid-solution model developed in the first part of the paper is used to evaluate the stability and composition of clinciptilolite and other minerals in the host rock under ambient conditions and after waste emplacement

  14. Interaction between counter-streaming ion-acoustic solitons and the Langmuir waves

    International Nuclear Information System (INIS)

    Basovich, A.Ya.; Gromov, E.M.; Talanov, V.I.

    1984-01-01

    The interaction between strong counter-streaming ion-acoustic solitons and the Langmuir waves is considered. At first the Langmuir waves spectrum transformation by counter-streaming ion-acoustic solutions of a preset amplitude e has been found. An increase in the frequency and number of the Langmuir waves due to the Doppler effect in the course of multiple reflection from the f front soliton slope has been determined and the wave number range in which the confinement of the Langmuir waves by counter-streaning solitons is possible has s been found. It is shown that the time of the Langmuir wave transformation into the short-wave region under the effect of the counter-streaming soliton may y be short as compared with the time of the Langmuir wave diffusion into the Landau damping region under the effect of random fields of ion-acoustic waves. In the adiabatic fpproximation changes in the counter-streaming ion acoustic parameters of solitons owing to the Langmuir waves have been

  15. A method for state-of-charge estimation of Li-ion batteries based on multi-model switching strategy

    International Nuclear Information System (INIS)

    Wang, Yujie; Zhang, Chenbin; Chen, Zonghai

    2015-01-01

    Highlights: • Build a multi-model switching SOC estimate method for Li-ion batteries. • Build an improved interpretative structural modeling method for model switching. • The feedback strategy of bus delay is applied to improve the real-time performance. • The EKF method is used for SOC estimation to improve the estimated accuracy. - Abstract: The accurate state-of-charge (SOC) estimation and real-time performance are critical evaluation indexes for Li-ion battery management systems (BMS). High accuracy algorithms often take long program execution time (PET) in the resource-constrained embedded application systems, which will undoubtedly lead to the decrease of the time slots of other processes, thereby reduce the overall performance of BMS. Considering the resource optimization and the computational load balance, this paper proposes a multi-model switching SOC estimation method for Li-ion batteries. Four typical battery models are employed to build a close-loop SOC estimation system. The extended Kalman filter (EKF) method is employed to eliminate the effect of the current noise and improve the accuracy of SOC. The experiments under dynamic current conditions are conducted to verify the accuracy and real-time performance of the proposed method. The experimental results indicate that accurate estimation results and reasonable PET can be obtained by the proposed method

  16. Interactions between electrons in the field of a positive ion

    International Nuclear Information System (INIS)

    Heideman, A.G.M.; Eck, J. van.

    1976-01-01

    Recent studies on the (auto)ionization of atoms by means of electron-atom collisions reveal the existence of phenomena probably brought about by post-collision interactions in the vicinity of a positive ion. In this article, a review of the subject is given in relation to the research program of the Utrecht atomic physics group

  17. Influence of hydration on ion-biomolecule interactions: M(+)(indole)(H2O)(n) (M = Na, K; n = 3-6).

    Science.gov (United States)

    Ke, Haochen; Lisy, James M

    2015-10-14

    The indole functional group can be found in many biologically relevant molecules, such as neurotransmitters, pineal hormones and medicines. Indole has been used as a tractable model to study the hydration structures of biomolecules as well as the interplay of non-covalent interactions within ion-biomolecule-water complexes, which largely determine their structure and dynamics. With three potential binding sites: above the six- or five-member ring, and the N-H group, the competition between π and hydrogen bond interactions involves multiple locations. Electrostatic interactions from monovalent cations are in direct competition with hydrogen bonding interactions, as structural configurations involving both direct cation-indole interactions and cation-water-indole bridging interactions were observed. The different charge densities of Na(+) and K(+) give rise to different structural conformers at the same level of hydration. Infrared spectra with parallel hybrid functional-based calculations and Gibbs free energy calculations revealed rich structural insights into the Na(+)/K(+)(indole)(H2O)3-6 cluster ion complexes. Isotopic (H/D) analyses were applied to decouple the spectral features originating from the OH and NH stretches. Results showed no evidence of direct interaction between water and the NH group of indole (via a σ-hydrogen bond) at current levels of hydration with the incorporation of cations. Hydrogen bonding to a π-system, however, was ubiquitous at hydration levels between two and five.

  18. Radiation Environment Model of Protons and Heavier Ions at Jupiter

    Science.gov (United States)

    Sierra, Luz Maria Martinez; Garrett, Henry B.; Jun, Insoo

    2015-01-01

    We performed an in depth study of the methods used to review the geometric factors (GF) and sensitivity to charge particles of the Energetic Particle Detector instrument on board the Galileo Spacecraft. Monte Carlo simulations were performed to understand the interactions of electrons and ions (i. e., protons and alphas) with the sensitive regions of the instrument. The DC0 and B0 channels were studied with the intention of using them to update the jovian proton radiation model. The results proved that the B0 is a clean proton chanel without any concerns for contamination by heavier ions and electrons. In contrast, DC0 was found to be contaminated by electrons. Furthermore, we also found out that the B2 channel is a clean alpha particle channel (in other words, no contamination by electrons and/or protons).

  19. NH2- in a cold ion trap with He buffer gas: Ab initio quantum modeling of the interaction potential and of state-changing multichannel dynamics

    Science.gov (United States)

    Hernández Vera, Mario; Yurtsever, Ersin; Wester, Roland; Gianturco, Franco A.

    2018-05-01

    We present an extensive range of accurate ab initio calculations, which map in detail the spatial electronic potential energy surface that describes the interaction between the molecular anion NH2 - (1A1) in its ground electronic state and the He atom. The time-independent close-coupling method is employed to generate the corresponding rotationally inelastic cross sections, and then the state-changing rates over a range of temperatures from 10 to 30 K, which is expected to realistically represent the experimental trapping conditions for this ion in a radio frequency ion trap filled with helium buffer gas. The overall evolutionary kinetics of the rotational level population involving the molecular anion in the cold trap is also modelled during a photodetachment experiment and analyzed using the computed rates. The present results clearly indicate the possibility of selectively detecting differences in behavior between the ortho- and para-anions undergoing photodetachment in the trap.

  20. Development and experimental evaluation of theoretical models for ion cyclotron resonance frequency heating of tokamak plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Mantsinen, M. [Helsinki Univ. of Technology, Espoo (Finland). Dept. of Technical Physics

    1999-06-01

    Heating with electromagnetic waves in the ion cyclotron range of frequencies (ICRF) is a well-established method for auxiliary heating of present-day tokamak plasmas and is envisaged as one of the main heating techniques for the International Thermonuclear Experimental Reactor (ITER) and future reactor plasmas. In order to predict the performance of ICRF heating in future machines, it is important to benchmark present theoretical modelling with experimental results on present tokamaks. This thesis reports on development and experimental evaluation of theoretical models for ICRF heating at the Joint European Torus (JET). Several ICRF physics effects and scenarios have been studied. Direct importance to the ITER is the theoretical analysis of ICRF heating experiments with deuterium-tritium (D-T) plasmas. These experiments clearly demonstrate the potential of ICRF heating for auxiliary heating of reactor plasmas. In particular, scenarios with potential for good bulk ion heating and enhanced D-T fusion reactivity have been identified. Good bulk ion heating is essential for reactor plasmas in order to obtain a high ion temperature and a high fusion reactivity. In JET good bulk ion heating with ICRF waves has been achieved in high-performance discharges by adding ICRF heating to neutral beam injection. In these experiments, as in other JET discharges where damping at higher harmonics of the ion cyclotron frequency takes place, so-called finite Larmor radius (FLR) effects play an important role. Due to FLR effects, the resonating ion velocity distribution function can have a strong influence on the power deposition. Evidence for this effect has been obtained from the third harmonic deuterium heating experiments. Because of FLR effects, the wave-particle interaction can also become weak at certain ion energies, which prevents resonating ions from reaching higher energies. When interacting with the wave, an ion receives not only a change in energy but also a change in

  1. Higgs-Yukawa model with higher dimension operators via extended mean field theory

    CERN Document Server

    Akerlund, Oscar

    2016-01-01

    Using Extended Mean Field Theory (EMFT) on the lattice, we study properties of the Higgs-Yukawa model as an approximation of the Standard Model Higgs sector, and the effect of higher dimension operators. We note that the discussion of vacuum stability is completely modified in the presence of a $\\phi^6$ term, and that the Higgs mass no longer appears fine tuned. We also study the finite temperature transition. Without higher dimension operators the transition is found to be second order (crossover with gauge fields) for the experimental value of the Higgs mass $M_h=125$ GeV. By taking a $\\phi^6$ interaction in the Higgs potential as a proxy for a UV completion of the Standard Model, the transition becomes stronger and turns first order if the scale of new physics, i.e. the mass of the lightest mediator particle, is around $1.5$ TeV. This implies that electroweak baryogenesis may be viable in models which introduce new particles around that scale.

  2. Computational simulation of electron and ion beams interaction with solid high-molecular dielectrics and inorganic glasses

    International Nuclear Information System (INIS)

    Milyavskiy, V.V.

    1998-01-01

    Numerical investigation of interaction of electron beams (with the energy within the limits 100 keV--20 MeV) and ion beams (with the energy over the range 1 keV--50 MeV) with solid high-molecular dielectrics and inorganic glasses is performed. Note that the problem of interaction of electron beams with glass optical covers is especially interesting in connection with the problem of radiation protection of solar power elements on cosmic satellites and stations. For computational simulation of the above-mentioned processes a mathematical model was developed, describing the propagation of particle beams through the sample thickness, the accumulation and relaxation of volume charge and shock-wave processes, as well as the evolution of electric field in the sample. The calculation of energy deposition by electron beam in a target in the presence of nonuniform electric field was calculated with the assistance of the semiempirical procedure, formerly proposed by author of this work. Propagation of the low energy ions through the sample thickness was simulated using Pearson IV distribution. Damage distribution, ionization distribution and range distribution was taken into account. Propagation of high energy ions was calculated in the approximation of continuous deceleration. For description of hydrodynamic processes the system of equations of continuum mechanics in elastic-plastic approximation and the wide-range equation of state were used

  3. Hypothetical interaction mechanisms for heavy-ion collisions between 20 and 50 MeV/u

    International Nuclear Information System (INIS)

    Ngo, C.; Dalili, D.; Lucas, R.

    1985-01-01

    A brief survey of some aspects of heavy-ion interaction mechanisms, at bombarding energies between 20 and 50 MeV/u is presented. The maximum energy content of a nuclear system, the most probable linear momentum transfer and the possible existence of a ''calefaction'' phenomenon in heavy-ion collisions have also been investigated

  4. Motion of the plasma critical layer during relativistic-electron laser interaction with immobile and comoving ion plasma for ion acceleration

    International Nuclear Information System (INIS)

    Sahai, Aakash A.

    2014-01-01

    We analyze the motion of the plasma critical layer by two different processes in the relativistic-electron laser-plasma interaction regime (a 0 >1). The differences are highlighted when the critical layer ions are stationary in contrast to when they move with it. Controlling the speed of the plasma critical layer in this regime is essential for creating low-β traveling acceleration structures of sufficient laser-excited potential for laser ion accelerators. In Relativistically Induced Transparency Acceleration (RITA) scheme, the heavy plasma-ions are fixed and only trace-density light-ions are accelerated. The relativistic critical layer and the acceleration structure move longitudinally forward by laser inducing transparency through apparent relativistic increase in electron mass. In the Radiation Pressure Acceleration (RPA) scheme, the whole plasma is longitudinally pushed forward under the action of the laser radiation pressure, possible only when plasma ions co-propagate with the laser front. In RPA, the acceleration structure velocity critically depends upon plasma-ion mass in addition to the laser intensity and plasma density. In RITA, mass of the heavy immobile plasma-ions does not affect the speed of the critical layer. Inertia of the bared immobile ions in RITA excites the charge separation potential, whereas RPA is not possible when ions are stationary

  5. A simplified numerical model for atomic processes of the low and medium Z-ions in the laser-produced plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, Takashi; Kato, Susumu; Mima, Kunioki (Osaka Univ., Suita (Japan). Inst. of Laser Engineering); Nishiguchi, Akio

    1992-11-01

    To calculate the ion fractional abundance of every charge state with the short computation time, we tried to build a suitable model for describing atomic processes. In 1982, Busquet proposed a mixed model, where he introduced two superlevels. They are related to a ground state and a ionized state, respectively, and the local-thermodynamic equilibrium (LET) is assumed over the excited states with the ionized state. In order to treat the atomic processes more accurately, we introduce the three superlevels which are the ground state, the first excited state and ionized state. The transition rates between them are evaluated by using Burguess formula which is used in the rate equations. The present model (Extended Mixed Model; EMM) gives results closer to the collisional-radiative model (CRM) than the original mixed model. The emissivity calculated by average-ion model (AIM) is compared with the one by EMM. The x-ray spectra are also obtained by using the EMM together with the hydrodynamic implosion code HIMICO. (author).

  6. A simplified numerical model for atomic processes of the low and medium Z-ions in the laser-produced plasmas

    International Nuclear Information System (INIS)

    Inoue, Takashi; Kato, Susumu; Mima, Kunioki; Nishiguchi, Akio.

    1992-01-01

    To calculate the ion fractional abundance of every charge state with the short computation time, we tried to build a suitable model for describing atomic processes. In 1982, Busquet proposed a mixed model, where he introduced two superlevels. They are related to a ground state and a ionized state, respectively, and the local-thermodynamic equilibrium (LET) is assumed over the excited states with the ionized state. In order to treat the atomic processes more accurately, we introduce the three superlevels which are the ground state, the first excited state and ionized state. The transition rates between them are evaluated by using Burguess formula which is used in the rate equations. The present model (Extended Mixed Model; EMM) gives results closer to the collisional-radiative model (CRM) than the original mixed model. The emissivity calculated by average-ion model (AIM) is compared with the one by EMM. The x-ray spectra are also obtained by using the EMM together with the hydrodynamic implosion code HIMICO. (author)

  7. Suprathermal ion transport in turbulent magnetized plasmas

    International Nuclear Information System (INIS)

    Bovet, A. D.

    2015-01-01

    field elongated turbulent structures, referred to as blobs, on the suprathermal ion beam. A theoretical model extending the Brownian motion to include non-Gaussian (Lévy) statistics and long-range temporal correlation is developed. This model successfully describes the evolution of the radial particle density from the numerical simulations and provides information on the microscopic processes underlying the non-diffusive transport of suprathermal ions. (author)

  8. Modelling grain growth in the framework of Rational Extended Thermodynamics

    International Nuclear Information System (INIS)

    Kertsch, Lukas; Helm, Dirk

    2016-01-01

    Grain growth is a significant phenomenon for the thermomechanical processing of metals. Since the mobility of the grain boundaries is thermally activated and energy stored in the grain boundaries is released during their motion, a mutual interaction with the process conditions occurs. To model such phenomena, a thermodynamic framework for the representation of thermomechanical coupling phenomena in metals including a microstructure description is required. For this purpose, Rational Extended Thermodynamics appears to be a useful tool. We apply an entropy principle to derive a thermodynamically consistent model for grain coarsening due to the growth and shrinkage of individual grains. Despite the rather different approaches applied, we obtain a grain growth model which is similar to existing ones and can be regarded as a thermodynamic extension of that by Hillert (1965) to more general systems. To demonstrate the applicability of the model, we compare our simulation results to grain growth experiments in pure copper by different authors, which we are able to reproduce very accurately. Finally, we study the implications of the energy release due to grain growth on the energy balance. The present unified approach combining a microstructure description and continuum mechanics is ready to be further used to develop more elaborate material models for complex thermo-chemo-mechanical coupling phenomena. (paper)

  9. Modelling grain growth in the framework of Rational Extended Thermodynamics

    Science.gov (United States)

    Kertsch, Lukas; Helm, Dirk

    2016-05-01

    Grain growth is a significant phenomenon for the thermomechanical processing of metals. Since the mobility of the grain boundaries is thermally activated and energy stored in the grain boundaries is released during their motion, a mutual interaction with the process conditions occurs. To model such phenomena, a thermodynamic framework for the representation of thermomechanical coupling phenomena in metals including a microstructure description is required. For this purpose, Rational Extended Thermodynamics appears to be a useful tool. We apply an entropy principle to derive a thermodynamically consistent model for grain coarsening due to the growth and shrinkage of individual grains. Despite the rather different approaches applied, we obtain a grain growth model which is similar to existing ones and can be regarded as a thermodynamic extension of that by Hillert (1965) to more general systems. To demonstrate the applicability of the model, we compare our simulation results to grain growth experiments in pure copper by different authors, which we are able to reproduce very accurately. Finally, we study the implications of the energy release due to grain growth on the energy balance. The present unified approach combining a microstructure description and continuum mechanics is ready to be further used to develop more elaborate material models for complex thermo-chemo-mechanical coupling phenomena.

  10. Relativistic modeling capabilities in PERSEUS extended MHD simulation code for HED plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Hamlin, Nathaniel D., E-mail: nh322@cornell.edu [438 Rhodes Hall, Cornell University, Ithaca, NY, 14853 (United States); Seyler, Charles E., E-mail: ces7@cornell.edu [Cornell University, Ithaca, NY, 14853 (United States)

    2014-12-15

    We discuss the incorporation of relativistic modeling capabilities into the PERSEUS extended MHD simulation code for high-energy-density (HED) plasmas, and present the latest hybrid X-pinch simulation results. The use of fully relativistic equations enables the model to remain self-consistent in simulations of such relativistic phenomena as X-pinches and laser-plasma interactions. By suitable formulation of the relativistic generalized Ohm’s law as an evolution equation, we have reduced the recovery of primitive variables, a major technical challenge in relativistic codes, to a straightforward algebraic computation. Our code recovers expected results in the non-relativistic limit, and reveals new physics in the modeling of electron beam acceleration following an X-pinch. Through the use of a relaxation scheme, relativistic PERSEUS is able to handle nine orders of magnitude in density variation, making it the first fluid code, to our knowledge, that can simulate relativistic HED plasmas.

  11. DFT study of the interaction between DOTA chelator and competitive alkali metal ions.

    Science.gov (United States)

    Frimpong, E; Skelton, A A; Honarparvar, B

    2017-09-01

    1, 4, 7, 10-tetraazacyclododecane-1, 4, 7, 10-tetracetic acid (DOTA) is an important chelator for radiolabeling of pharmaceuticals. The ability of alkali metals found in the body to complex with DOTA and compete with radio metal ions can alter the radiolabeling process. Non-covalent interactions between DOTA complexed with alkali metals Li + , Na + , K + and Rb + , are investigated with density functional theory using B3LYP and ωB97XD functionals. Conformational possibilities of DOTA were explored with a varying number of carboxylic pendant arms of DOTA in close proximity to the ions. It is found that the case in which four arms of DOTA are interacting with ions is more stable than other conformations. The objective of this study is to explore the electronic structure properties upon complexation of alkali metals Li + Na + , K + and Rb + with a DOTA chelator. Interaction energies, relaxation energies, entropies, Gibbs free energies and enthalpies show that the stability of DOTA, complexed with alkali metals decreases down the group of the periodic table. Implicit water solvation affects the complexation of DOTA-ions leading to decreases in the stability of the complexes. NBO analysis through the natural population charges and the second order perturbation theory, revealed a charge transfer between DOTA and alkali metals. Conceptual DFT-based properties such as HOMO/LUMO energies, ΔE HOMO-LUMO and chemical hardness and softness indicated a decrease in the chemical stability of DOTA-alkali metal complexes down the alkali metal series. This study serves as a guide to researchers in the field of organometallic chelators, particularly, radiopharmaceuticals in finding the efficient optimal match between chelators and various metal ions. Copyright © 2017 Elsevier Inc. All rights reserved.

  12. A collisional model for plasma immersion ion implantation

    International Nuclear Information System (INIS)

    Vahedi, V.; Lieberman, M.A.; Alves, M.V.; Verboncoeur, J.P.; Birdsall, C.K.

    1990-01-01

    In plasma immersion ion implantation, a target is immersed in a plasma and a series of negative short pulses are applied to it to implant the ions. A new analytical model is being developed for the high pressure regimes in which the motion of the ions is highly collisional. The model provides values for ion flux, average ion velocity at the target, and sheath edge motion as a function of time. These values are being compared with those obtained from simulation and show good agreement. A review is also given (for comparison) of the earlier work done at low pressures, where the motion of ions in the sheath is collisionless, also showing good agreement between analysis and simulation. The simulation code is PDP1 which utilizes particle-in-cell techniques plus Monte-Carlo simulation of electron-neutral (elastic, excitation and ionization) and ion-neutral (scattering and charge-exchange) collisions

  13. An electrodynamical model for the ion behaviour in the final plasma focus stages

    International Nuclear Information System (INIS)

    Zambreanu, V.; Doloc, C.M.

    1992-01-01

    Plasma focus devices (PFDs) are strong sources of fusion neutrons but the problem of which interactions are responsible for the fusion reactions is still open since neither of the proposed theoretical models has been confirmed experimentally. A model for the trajectories of the deuteron ions in a configuration of selfconsistent electromagnetic fields is proposed starting from an empirical plasma model which describes the plasma focus collapse and column phases. The proposed model is only electrodynamical under the assumption of a uniform current density and an infinite length of the plasma column, not taking into account the fluid characteristics of the plasma. (author)

  14. Multi-scale modeling of the behaviour of water and ions clays

    International Nuclear Information System (INIS)

    Rotenberg, B.

    2007-10-01

    Predicting the fate of radioactive waste stored in a clay formation requires a good understanding of the transport properties of water and ions in clays. Their diffusion in this charged porous medium is described by empirical parameters such as their partitioning coefficient Kd which accounts for the interactions with the mineral surfaces. The present work deals with the relevance of this concept and its definition based on microscopic grounds. We have first modeled the ionic contribution to the dielectric properties of clays and suggested an experimental determination of Kd from dielectric spectroscopy measurements. Using microscopic simulations (Monte-Carlo and Molecular Dynamics), we then have computed the Gibbs free energy and enthalpy for ionic exchange in the case of alkaline cations. They control the value of Kd and its evolution with the temperature. The results for cesium are in good agreement with both microcalorimetric measurements and the determination of Kd at different temperatures. We have participated in the development of a new lattice simulation method (Lattice Fokker-Planck), which we have then used to link explicitly the microscopic dynamics of ions to the diffusion-reaction model underlying the definition of Kd. Finally, we have used Molecular Dynamics to investigate the kinetics of exchange of water and ions between clay particles (interlayer) and the extra-particle porosity. The results confirm the generally admitted idea that water and ions can explore the whole porosity, whereas anions are excluded from the interlayers. (author)

  15. Duopigatron ion source studies

    International Nuclear Information System (INIS)

    Bacon, F.M.; Bickes, R.W. Jr.; O'Hagan, J.B.

    1978-07-01

    Ion source performance characteristics consisting of total ion current, ion energy distribution, mass distribution, and ion current density distribution were measured for several models of a duopigatron. Variations on the duopigatron design involved plasma expansion cup material and dimensions, secondary cathode material, and interelectrode spacings. Of the designs tested, the one with a copper and molybdenum secondary cathode and a mild steel plasma expansion cup proved to give the best results. The ion current density distribution was peaked at the center of the plasma expansion cup and fell off to 80 percent of the peak value at the cup wall for a cup 15.2 mm deep. A total ion current of 180 mA consisting of 60 to 70 percent atomic ions was produced with an arc current of 20 A and source pressure of 9.3 Pa. More shallow cups produced a larger beam current and a more sharply peaked ion current density distribution. Typical ion energy distributions were bell-shaped curves with a peak 10 to 20 V below anode potential and with ion energies extending 30 to 40 V on either side of the peak

  16. Ion swarm data for electrical discharge modeling in air and flue gas mixtures

    International Nuclear Information System (INIS)

    Nelson, D.; Benhenni, M.; Eichwald, O.; Yousfi, M.

    2003-01-01

    The first step of this work is the determination of the elastic and inelastic ion-molecule collision cross sections for the main ions (N 2 + , O 2 + , CO 2 + , H 2 O + and O - ) usually present either in the air or flue gas discharges. The obtained cross section sets, given for ion kinetic energies not exceeding 100 eV, correspond to the interactions of each ion with its parent molecule (symmetric case) or nonparent molecule (asymmetric case). Then by using these different cross section sets, it is possible to obtain the ion swarm data for the different gas mixtures involving N 2 , CO 2 , H 2 O and O 2 molecules whatever their relative proportions. These ion swarm data are obtained from an optimized Monte Carlo method well adapted for the ion transport in gas mixtures. This also allows us to clearly show that the classical linear approximations usually applied for the ion swarm data in mixtures such as Blanc's law are far to be valid. Then, the ion swarm data are given in three cases of gas mixtures: a dry air (80% N 2 , 20% O 2 ), a ternary gas mixture (82% N 2 , 12% CO 2 , 6% O 2 ) and a typical flue gas (76% N 2 , 12% CO 2 , 6% O 2 , 6% H 2 O). From these reliable ion swarm data, electrical discharge modeling for a wire to plane electrode configuration has been carried out in these three mixtures at the atmospheric pressure for different applied voltages. Under the same discharge conditions, large discrepancies in the streamer formation and propagation have been observed in these three mixture cases. They are due to the deviations existing not only between the different effective electron-molecule ionization rates but also between the ion transport properties mainly because of the presence of a highly polar molecule such as H 2 O. This emphasizes the necessity to properly consider the ion transport in the discharge modeling

  17. Spatially Extended Habitat Modification by Intertidal Reef-Building Bivalves has Implications for Consumer-Resource Interactions

    NARCIS (Netherlands)

    van der Zee, E.M.; van der Heide, T.; Donadi, S.; Eklöf, J.S.; Eriksson, B.K.; Olff, H.; van der Veer, H.W.; Piersma, T.

    2012-01-01

    Ecosystem engineers can strongly modify habitat structure and resource availability across space. In theory, this should alter the spatial distributions of trophically interacting species. In this article, we empirically investigated the importance of spatially extended habitat modification by

  18. Spatially extended habitat modification by intertidal reef-building bivalves has implications for consumer-resource interactions

    NARCIS (Netherlands)

    van der Zee, Els M.; van der Heide, Tjisse; Donadi, Serena; Eklöf, Johan S.; Eriksson, Britas Klemens; Olff, Han; van der Veer, Henk W.; Piersma, Theunis

    Ecosystem engineers can strongly modify habitat structure and resource availability across space. In theory, this should alter the spatial distributions of trophically interacting species. In this article, we empirically investigated the importance of spatially extended habitat modification by

  19. Magnetic interaction between spatially extended superconducting tunnel junctions

    DEFF Research Database (Denmark)

    Grønbech-Jensen, Niels; Samuelsen, Mogens Rugholm

    2002-01-01

    A general description of magnetic interactions between superconducting tunnel junctions is given. The description covers a wide range of possible experimental systems, and we explicitly explore two experimentally relevant limits of coupled junctions. One is the limit of junctions with tunneling...... been considered through arrays of superconducting weak links based on semiconductor quantum wells with superconducting electrodes. We use the model to make direct interpretations of the published experiments and thereby propose that long-range magnetic interactions are responsible for the reported...

  20. 23Na-NMR-studies on the detection of the interaction of phospholipids with sodium ions

    International Nuclear Information System (INIS)

    Arnold, K.; Pausch, R.; Frenzel, J.; Winkler, E.

    1975-01-01

    The 23 Na-NMR-relaxation times have been measured in different sonicated phospholipid dispersions in dependence on the NaCl concentration. In an egg lecithin dispersion and a DPPC dispersion the relaxation rates are independent of the sodium concentration. In both systems there is no interaction between sodium ions and phospholipids. However, in a phosphatidylethanolamine dispersion a concentration dependence may be observed. Its interpretation is only possible for a stoichiometric ratio of 3:1 of the lecithin-ion-complex. The association constant is found to be k=65,0 l/Mol. For the case of an equimolar egg lecithin/phosphatidylethanolamine dispersion a stronger interaction is measured. The addition of CaCl 2 results in a complete inhibition of the binding of sodium ions at phosphatidylethanolamine

  1. Center for Extended Magnetohydrodynamics Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, Jesus [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2017-02-14

    This researcher participated in the DOE-funded Center for Extended Magnetohydrodynamics Modeling (CEMM), a multi-institutional collaboration led by the Princeton Plasma Physics Laboratory with Dr. Stephen Jardin as the overall Principal Investigator. This project developed advanced simulation tools to study the non-linear macroscopic dynamics of magnetically confined plasmas. The collaborative effort focused on the development of two large numerical simulation codes, M3D-C1 and NIMROD, and their application to a wide variety of problems. Dr. Ramos was responsible for theoretical aspects of the project, deriving consistent sets of model equations applicable to weakly collisional plasmas and devising test problems for verification of the numerical codes. This activity was funded for twelve years.

  2. An extended TRANSCAR model including ionospheric convection: simulation of EISCAT observations using inputs from AMIE

    Directory of Open Access Journals (Sweden)

    P.-L. Blelly

    2005-02-01

    Full Text Available The TRANSCAR ionospheric model was extended to account for the convection of the magnetic field lines in the auroral and polar ionosphere. A mixed Eulerian-Lagrangian 13-moment approach was used to describe the dynamics of an ionospheric plasma tube. In the present study, one focuses on large scale transports in the polar ionosphere. The model was used to simulate a 35-h period of EISCAT-UHF observations on 16-17 February 1993. The first day was magnetically quiet, and characterized by elevated electron concentrations: the diurnal F2 layer reached as much as 1012m-3, which is unusual for a winter and moderate solar activity (F10.7=130 period. An intense geomagnetic event occurred on the second day, seen in the data as a strong intensification of the ionosphere convection velocities in the early afternoon (with the northward electric field reaching 150mVm-1 and corresponding frictional heating of the ions up to 2500K. The simulation used time-dependent AMIE outputs to infer flux-tube transports in the polar region, and to provide magnetospheric particle and energy inputs to the ionosphere. The overall very good agreement, obtained between the model and the observations, demonstrates the high ability of the extended TRANSCAR model for quantitative modelling of the high-latitude ionosphere; however, some differences are found which are attributed to the precipitation of electrons with very low energy. All these results are finally discussed in the frame of modelling the auroral ionosphere with space weather applications in mind.

  3. Heavy-ion collimation at the Large Hadron Collider. Simulations and measurements

    Energy Technology Data Exchange (ETDEWEB)

    Hermes, Pascal Dominik

    2016-12-19

    The CERN Large Hadron Collider (LHC) stores and collides proton and {sup 208}Pb{sup 82+} beams of unprecedented energy and intensity. Thousands of superconducting magnets, operated at 1.9 K, guide the very intense and energetic particle beams, which have a large potential for destruction. This implies the demand for a multi-stage collimation system to provide protection from beam-induced quenches or even hardware damage. In heavy-ion operation, ion fragments with significant rigidity offsets can still scatter out of the collimation system. When they irradiate the superconducting LHC magnets, the latter risk to quench (lose their superconducting property). These secondary collimation losses can potentially impose a limitation for the stored heavy-ion beam energy. Therefore, their distribution in the LHC needs to be understood by sophisticated simulations. Such simulation tools must accurately simulate the particle motion of many different nuclides in the magnetic LHC lattice and simulate their interaction with the collimators. Previous simulation tools used simplified models for the simulation of particle-matter interaction and showed discrepancies compared to the measured loss patterns. This thesis describes the development and application of improved heavy-ion collimation simulation tools. Two different approaches are presented to provide these functionalities. In the first presented tool, called STIER, fragmentation at the primary collimator is simulated with the Monte-Carlo event generator FLUKA. The ion fragments scattered out of the primary collimator are subsequently tracked as protons with ion-equivalent rigidities in the existing proton tracking tool SixTrack. This approach was used to prepare the collimator settings for the 2015 LHC heavy-ion run and its predictions allowed reducing undesired losses. More accurate simulation results are obtained with the second presented simulation tool, in which SixTrack is extended to track arbitrary heavy ions. This new

  4. Heavy-ion collimation at the Large Hadron Collider. Simulations and measurements

    International Nuclear Information System (INIS)

    Hermes, Pascal Dominik

    2016-01-01

    The CERN Large Hadron Collider (LHC) stores and collides proton and 208 Pb 82+ beams of unprecedented energy and intensity. Thousands of superconducting magnets, operated at 1.9 K, guide the very intense and energetic particle beams, which have a large potential for destruction. This implies the demand for a multi-stage collimation system to provide protection from beam-induced quenches or even hardware damage. In heavy-ion operation, ion fragments with significant rigidity offsets can still scatter out of the collimation system. When they irradiate the superconducting LHC magnets, the latter risk to quench (lose their superconducting property). These secondary collimation losses can potentially impose a limitation for the stored heavy-ion beam energy. Therefore, their distribution in the LHC needs to be understood by sophisticated simulations. Such simulation tools must accurately simulate the particle motion of many different nuclides in the magnetic LHC lattice and simulate their interaction with the collimators. Previous simulation tools used simplified models for the simulation of particle-matter interaction and showed discrepancies compared to the measured loss patterns. This thesis describes the development and application of improved heavy-ion collimation simulation tools. Two different approaches are presented to provide these functionalities. In the first presented tool, called STIER, fragmentation at the primary collimator is simulated with the Monte-Carlo event generator FLUKA. The ion fragments scattered out of the primary collimator are subsequently tracked as protons with ion-equivalent rigidities in the existing proton tracking tool SixTrack. This approach was used to prepare the collimator settings for the 2015 LHC heavy-ion run and its predictions allowed reducing undesired losses. More accurate simulation results are obtained with the second presented simulation tool, in which SixTrack is extended to track arbitrary heavy ions. This new tracking

  5. Direct electron and ion fluid computation of high electrostatic fields in dense inhomogeneous plasmas with subsequent nonlinear optical and dynamical laser interaction

    International Nuclear Information System (INIS)

    Lalousis, P.

    1984-01-01

    Nonthermal direct electrodynamic interaction between laser energy and a fully ionized plasma was studied. The particular emphasis is on the action of nonlinear forces, in which the optical electromagnetic fields act on the plasma electrons which then transfer their energy to the ions electrostatically. Instead of the usual single fluid model, the plasma is treated as two separate conducting fluids for electrons and ions, coupled by momentum and Coulomb interactions. The equations governing the two fluids are derived from first principles, and numerical algorithms for computing these equations are developed, enabling the plasma oscillatons to be resolved and studied. Fully ionized plasma expansion without laser irradiation is studied first numerically. Remarkable damping mechanisms by coupling to ion oscillations have been observed. Inhomogeneities in densities of the two fluids result in large electrostatic fields and double layers are generated. There is quite close agreement between numerically calculated electrostatic fields and analytical solutions. Laser interaction with fully ionized plasma is also studied numerically. The generation of cavitons is numerically observed, and it is inferred that laser plasma interactions produce very high electrostatic fields in the vicinity of cavitons. It is further shown that charge neutrality is not necessarily maintained in a caviton

  6. A lattice-gas model of the ion current across the solid interface: fast-ion conductor - intercalate

    International Nuclear Information System (INIS)

    Nachev, I.; Balkanski, M.

    1994-12-01

    The transport of Lithium ions across the material interface: fast-ion conducting glass - intercalate is simulated by a non-trivial lattice-gas model. The model takes explicitly into account the influence of the Coulomb correlations, the site-blocking effect and the boundary conditions on the ion kinetics. Potential device applications of the model are pointed out by computing the current density of Lithium ions for material parameters of the real interface: doped ternary borate glass - Indium Selenide, which constitute the electrolyte and the cathode, respectively, of a thin-film microbattery with improved performance. (author). 10 refs, 4 figs

  7. Comparison of string models for heavy ion collisions

    International Nuclear Information System (INIS)

    Werner, K.

    1990-01-01

    An important method to explore new domains in physics is to compare new results with extrapolations from known areas. For heavy ion collision this can be done with string models, which extrapolate from light to heavy systems and which also may be used to extrapolate to higher energies. That does not mean that these string models are only background models, one may easily implement new ideas on top of the known aspects, providing much more reliable models than those formed from scratch. All the models to be considered in this paper have in common that they consist of three independent building blocks: (a) geometry, (b) string formation and (c) string fragmentation. The geometry aspect is treated quite similar in all models: nucleons are distributed inside each nucleus according to some standard parameterization of nuclear densities. The nuclei move through each other on a straight line trajectory, with all the nucleon positions being fixed. Whenever a projectile and a target nucleon come close, they interact. Such an interaction results in string formation. In the last step these strings decay into observable hadrons according to some string fragmentation procedure. The three building blocks are independent, so one can combine different methods in an arbitrary manner. Therefore rather than treating the models one after the other, the author discusses the procedures for string formation and string fragmentation as used by the models. He considers string models in a very general sense, so he includes models where the authors never use the word string, but which may be most naturally interpreted as string models and show strong similarities with real string models. Although very important he does not discuss - for time and space reasons - recent developments concerning secondary scattering

  8. Theory of extended stellar atmospheres. II. A grid of static spherical models for O stars and planetary nebula nuclei

    International Nuclear Information System (INIS)

    Kunasz, P.B.; Hummer, D.G.; Mihalas, D.

    1975-01-01

    Spherical static non-LTE model atmospheres are presented for stars with M/M/sub sun/=30 and 60 at various points on their evolutionary tracks, and for some nuclei of planetary nebulae at two points of a modified Harman-Seaton sequence. The method of Mihalas and Hummer was employed, which uses a parametrized radiation force multiplier to simulate the force of radiation arising from the entire line spectrum. However, in the present work the density structure computed in the LTE models was held fixed in the calculation of the corresponding non-LTE models; in addition, the opacity of an ''average light ion'' was taken into account. The temperatures for the non-LTE models are generally lower, at a given depth, than for the corresponding LTE models when T/sub eff/<45,000 K, while the situation is reversed at higher temperatures. The continuous energy distributions are generally flattened by extension. The Lyman jump is in emission for extended models of massive stars, but never for the models of nuclei of planetary nebulae (this is primarily a temperature effect). The Balmer jumps are always in absorption. The Lyman lines are in emission, and the Balmer lines in absorption; He ii lambda4686 comes into emission in the most extended models without hydrogen line pumping, showing that it is an indicator of atmospheric extension. Very severe limb darkening is found for extended models, which have apparent angular sized significantly smaller than expected from the geometrical size of the star. Extensive tables are given of monochromatic magnitudes, continuum jumps and gradients, Stomgren-system colors, monochromatic extensions, and the profiles and equivalent widths of the hydrogen lines for all models, and of the He ii lines for some of the 60 M/sub X/ models

  9. Modified-surface-energy methods for deriving heavy-ion potentials

    International Nuclear Information System (INIS)

    Sierk, A.J.

    1977-01-01

    The use of a modified-surface-energy approach for the calculation of heavy-ion interaction potentials is discussed. It is not possible to simultaneously fit elastic scattering, ion interaction barriers, and fission barriers with the same set of constants in this model. Possible explanations of this deficiency are discussed

  10. In silico, experimental, mechanistic model for extended-release felodipine disposition exhibiting complex absorption and a highly variable food interaction.

    Directory of Open Access Journals (Sweden)

    Sean H J Kim

    Full Text Available The objective of this study was to develop and explore new, in silico experimental methods for deciphering complex, highly variable absorption and food interaction pharmacokinetics observed for a modified-release drug product. Toward that aim, we constructed an executable software analog of study participants to whom product was administered orally. The analog is an object- and agent-oriented, discrete event system, which consists of grid spaces and event mechanisms that map abstractly to different physiological features and processes. Analog mechanisms were made sufficiently complicated to achieve prespecified similarity criteria. An equation-based gastrointestinal transit model with nonlinear mixed effects analysis provided a standard for comparison. Subject-specific parameterizations enabled each executed analog's plasma profile to mimic features of the corresponding six individual pairs of subject plasma profiles. All achieved prespecified, quantitative similarity criteria, and outperformed the gastrointestinal transit model estimations. We observed important subject-specific interactions within the simulation and mechanistic differences between the two models. We hypothesize that mechanisms, events, and their causes occurring during simulations had counterparts within the food interaction study: they are working, evolvable, concrete theories of dynamic interactions occurring within individual subjects. The approach presented provides new, experimental strategies for unraveling the mechanistic basis of complex pharmacological interactions and observed variability.

  11. Extended Linear Models with Gaussian Priors

    DEFF Research Database (Denmark)

    Quinonero, Joaquin

    2002-01-01

    In extended linear models the input space is projected onto a feature space by means of an arbitrary non-linear transformation. A linear model is then applied to the feature space to construct the model output. The dimension of the feature space can be very large, or even infinite, giving the model...... a very big flexibility. Support Vector Machines (SVM's) and Gaussian processes are two examples of such models. In this technical report I present a model in which the dimension of the feature space remains finite, and where a Bayesian approach is used to train the model with Gaussian priors...... on the parameters. The Relevance Vector Machine, introduced by Tipping, is a particular case of such a model. I give the detailed derivations of the expectation-maximisation (EM) algorithm used in the training. These derivations are not found in the literature, and might be helpful for newcomers....

  12. Transferred hyperfine interaction between the rare-earth ions and the fluorine nuclei in rare-earth trifluorides

    DEFF Research Database (Denmark)

    Hansen, P. E.; Nevald, Rolf; Guggenheim, H. G.

    1978-01-01

    The isotropic and anisotropic transferred hyperfine interactions between F ions in the two chemically inequivalent sites and the rare-earth ions (R) have been derived from 19F NMR measurements in the temperature region 100-300 K on single crystals of TbF3 and DyF3. The isotropic interactions are ...... to vary only slightly with temperature. They are further assigned to definite R's in the unit cell, which cannot be done from macroscopic magnetic measurements....

  13. Radiation induced muscositis as space flight risk. Model studies on X-ray and heavy ion irradiated typical oral mucosa models

    International Nuclear Information System (INIS)

    Tschachojan, Viktoria

    2014-01-01

    Humans in exomagnetospheric space are exposed to highly energetic heavy ion radiation which can be hardly shielded. Since radiation-induced mucositis constitutes a severe complication of heavy ion radiotherapy, it would also implicate a serious medical safety risk for the crew members during prolonged space flights such as missions to Moon or Mars. For assessment of risk developing radiation-induced mucositis, three-dimensional organotypic cultures of immortalized human keratinocytes and fibroblasts were irradiated with a 12 C particle beam at high energies or X-Rays. Immunofluorescence stainings were done from cryosections and radiation induced release of cytokines and chemokines was quantified by ELISA from culture supernatants. The major focuses of this study were on 4, 8, 24 and 48 hours after irradiation. The conducted analyses of our mucosa model showed many structural similarities with the native oral mucosa and authentic immunological responses to radiation exposure. Quantification of the DNA damage in irradiated mucosa models revealed about twice as many DSB after heavy-ion irradiation compared to X-rays at definite doses and time points, suggesting a higher gene toxicity of heavy ions. Nuclear factor κB activation was observed after treatment with X-rays or 12 C particles. An activation of NF κB p65 in irradiated samples could not be detected. ELISA analyses showed significantly higher interleukin 6 and interleukin 8 levels after irradiation with X-rays and 12 C particles compared to non-irradiated controls. However, only X-rays induced significantly higher levels of interleukin 1β. Analyses of TNF-α and IFN-γ showed no radiation-induced effects. Further analyses revealed a radiation-induced reduction in proliferation and loss of compactness in irradiated oral mucosa model, which would lead to local lesions in vivo. In this study we revealed that several pro-inflammatory markers and structural changes are induced by X-rays and heavy-ion irradiation

  14. Investigation of a four-body coupling in the one-dimensional extended Penson-Kolb-Hubbard model

    Science.gov (United States)

    Ding, Hanqin; Ma, Xiaojuan; Zhang, Jun

    2017-09-01

    The experimental advances in cold fermion gases motivates the investigation of a one-dimensional (1D) correlated electronic system by incorporating a four-body coupling. Using the low-energy field theory scheme and focusing on the weak-coupling regime, we extend the 1D Penson-Kolb-Hubbard (PKH) model at half filling. It is found that the additional four-body interaction may significantly modify the quantum phase diagram, favoring the presence of the superconducting phase even in the case of two-body repulsions.

  15. Ion-ion collisions and ion storage rings

    International Nuclear Information System (INIS)

    Mowat, J.R.

    1988-01-01

    Improved understanding of fundamental ion-ion interactions is expected to emerge from research carried out with ion storage rings. In this short survey the significant advantages and unique features that make stored ions useful targets for collision experiments are reviewed and discussed. It is pointed out that improvements to existing ion-ion experiments, as well as qualitatively new experiments, should occur over the next few years as ion storage rings become available for atomic physics. Some new experiments are suggested which are difficult if not impossible with present-day technology, but which seem feasible at storage rings facilities. (orig.)

  16. Interaction of human endothelial cells and nickel-titanium materials modified with silicon ions

    Energy Technology Data Exchange (ETDEWEB)

    Lotkov, Aleksandr I., E-mail: lotkov@ispms.tsc.ru; Kashin, Oleg A., E-mail: okashin@ispms.tsc.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Kudryavtseva, Yuliya A., E-mail: yulia-k1970@mail.ru; Antonova, Larisa V., E-mail: antonova.la@mail.ru; Matveeva, Vera G., E-mail: matveeva-vg@mail.ru; Sergeeva, Evgeniya A., E-mail: sergeewa.ew@yandex.ru [Research Institute for Complex Issues of Cardiovascular Diseases, Kemerovo, 650002 (Russian Federation); Kudryashov, Andrey N., E-mail: kudryashov@angioline.ru [Angioline Interventional Device Ltd, Novosibirsk, 630090 (Russian Federation)

    2015-10-27

    The paper studies the influence of chemical and phase compositions of NiTi surface layers modified with Si ions by plasma immersion implantation on their interaction with endothelial cells. It is shown that certain technological modes of Si ion implantation enhance the adhesion, proliferation, and viability of endothelial cells. It is found that the Si-modified NiTi surface is capable of stimulating the formation of capillary-like structures in the cell culture.

  17. The integrability of an extended fifth-order KdV equation with Riccati ...

    Indian Academy of Sciences (India)

    method was extended to investigate variable coefficient NLEEs, which included gener- alized KdV equation, generalized modified KdV equation and generalized Boussinesq equation [11,12]. It is well known that KdV equation models a variety of nonlinear phenomena, including ion-acoustic waves in plasmas and shallow ...

  18. Status of the positive ion injector for ATLAS

    Energy Technology Data Exchange (ETDEWEB)

    Den Hartog, P K; Benaroya, R; Bogaty, J M; Bollinger, L M; Clifft, B E; Craig, S L; Henderson, D; Markovich, P; Munson, F; Nixon, J M; Pardo, R C; Phillips, D; Shepard, K W; Tilbrook, I; Zinkann, G [Argonne National Lab., IL (USA). Physics Div.

    1989-04-01

    The positive ion injector project will replace a High Voltage Engineering Corp. model FN 9 MV tandem electrostatic accelerator as the injector into the ATLAS superconducting heavy ion linear accelerator. It consists of an electron cyclotron resonance (ECR) ion source on a 350-kV platform injecting into a linac of individually phased superconducting resonators which have been optimized for ions with velocities as low as {beta} = 0.009. The resulting combination will extend the useful mass range of ATLAS to projectiles as heavy as uranium, while increasing the beam currents available by a factor of 100. (orig.).

  19. Status of the positive ion injector for ATLAS

    International Nuclear Information System (INIS)

    Den Hartog, P.K.; Benaroya, R.; Bogaty, J.M.

    1988-01-01

    The positive ion injector project will replace a High Voltage Engineering Corp. model FN 9 MV tandem electrostatic accelerator as the injector into the ATLAS superconducting heavy ion linear accelerator. It consists of an electron cyclotron resonance (ECR) ion source on a 350-kV platform injecting into a linac of individually phased superconducting resonators which have been optimized for ions with velocities as low as β = 0.009. The resulting combination will extend the useful mass range of ATLAS to projectiles as heavy as uranium, while increasing the beam currents available by a factor of 100. (2 refs., 2 figs., 1 tab.)

  20. Hylleraas-Configuration Interaction study of the 1S ground state of the negative Li ion.

    Science.gov (United States)

    Sims, James S

    2017-12-28

    In a previous work Sims and Hagstrom [J. Chem. Phys. 140, 224312 (2014)] reported Hylleraas-Configuration Interaction (Hy-CI) method variational calculations for the neutral atom and positive ion 1 S ground states of the beryllium isoelectronic sequence. The Li - ion, nominally the first member of this series, has a decidedly different electronic structure. This paper reports the results of a large, comparable calculation for the Li - ground state to explore how well the Hy-CI method can represent the more diffuse L shell of Li - which is representative of the Be(2sns) excited states as well. The best non-relativistic energy obtained was -7.500 776 596 hartree, indicating that 10 - 20 nh accuracy is attainable in Hy-CI and that convergence of the r 12 r 34 double cusp is fast and that this correlation type can be accurately represented within the Hy-CI model.

  1. Quantifying the levitation picture of extended states in lattice models

    OpenAIRE

    Pereira, Ana. L. C.; Schulz, P. A.

    2002-01-01

    The behavior of extended states is quantitatively analyzed for two-dimensional lattice models. A levitation picture is established for both white-noise and correlated disorder potentials. In a continuum limit window of the lattice models we find simple quantitative expressions for the extended states levitation, suggesting an underlying universal behavior. On the other hand, these results point out that the quantum Hall phase diagrams may be disorder dependent.

  2. 2D edge plasma modeling extended up to the main chamber

    Energy Technology Data Exchange (ETDEWEB)

    Dekeyser, W., E-mail: wouter.dekeyser@mech.kuleuven.be [Department of Mechanical Engineering, Katholieke Universiteit Leuven, Celestijnenlaan 300A, 3001 Leuven (Belgium); Baelmans, M. [Department of Mechanical Engineering, Katholieke Universiteit Leuven, Celestijnenlaan 300A, 3001 Leuven (Belgium); Reiter, D.; Boerner, P.; Kotov, V. [Institut fuer Plasmaphysik, Forschungszentrum Juelich GmbH, EURATOM-Association, Trilateral Euregio Cluster, D-52425 Juelich (Germany)

    2011-08-01

    Far SOL plasma flow, and hence main chamber recycling and plasma surface interaction, are today still only very poorly described by current 2D fluid edge codes, such as B2, UEDGE or EDGE2D, due to a common technical limitation. We have extended the B2 plasma fluid solver in the current ITER version of B2-EIRENE (SOLPS4.3) to allow plasma solutions to be obtained up to the 'real vessel wall', at least on the basis of ad hoc far SOL transport models. We apply here the kinetic Monte Carlo Code EIRENE on such plasma solutions to study effects of this model refinement on main chamber fluxes and sputtering, for an ITER configuration. We show that main chamber sputtering may be significantly modified both due to thermalization of CX neutrals in the far SOL and poloidally highly asymmetric plasma wall contact, as compared to hitherto applied teleportation of particle fluxes across this domain.

  3. A selective chemosensor for fluoride ion and its interaction with Calf Thymus DNA.

    Science.gov (United States)

    Ghosh, Soumen; Al Masum, Abdulla; Ganguly, Aniruddha; Islam, Md Maidul; Alam, Md Akhtarul; Guchhait, Nikhil

    2017-05-05

    The amido-Schiff base 1 (N 1 , N 3 -bis (2-nitrobenzylidene)benzene-1,3-dicabohydrazide) containing a CONH group and CHN linkage has been synthesized by the condensation between isophthalic acid dihydrazide and o-nitrobenzaldehyde. This molecule can act as a fluoride ion sensor with high selectivity and sensitivity. Presence of nitro group in the phenyl ring may be responsible for the detection of fluoride ion visually with a dramatic color change from colorless to deep red in aqueous dimethyl sulphoxide solution. This Schiff base can be used as test kit for sensing of fluoride ion in the solid state. Compound 1 can detect fluoride also in commercially available toothpaste. As the compound has adequate solubility in DMSO-water mixture (7:93, v/v) and having some hydrogen bond donor and acceptor centers, we have investigated its nature of binding with Calf Thymus-DNA (CT-DNA) using theoretical molecular modelling and other experimental methods like UV-vis spectroscopy, circular dichroic and thermal melting studies. Thermodynamic parameters have been obtained using the well known Van't Hoff's equation. From both theoretical and experimental findings it has been observed that it can interact effectively with CT-DNA with binding energy -7.55kcal/mol to -7.50kcal/mol. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Investigation of ion acceleration mechanism through laser-matter interaction in femtosecond domain

    Energy Technology Data Exchange (ETDEWEB)

    Altana, C., E-mail: altana@lns.infn.it [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia, Università degli Studi di Catania, Via S. Sofia 64, 95123 Catania (Italy); Muoio, A. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Scienze della Terra, Università degli Studi di Messina, Viale F.S. D’Alcontres 31, 98166 Messina (Italy); Lanzalone, G. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Università degli Studi di Enna “Kore”, Via delle Olimpiadi, 94100 Enna (Italy); Tudisco, S. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Brandi, F. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy); Cirrone, G.A.P. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Cristoforetti, G. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Fazzi, A. [Energy Department, Polytechnic of Milan and INFN, Milan (Italy); Ferrara, P.; Fulgentini, L. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Giove, D. [Energy Department, Polytechnic of Milan and INFN, Milan (Italy); Koester, P. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Labate, L. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Pisa, Largo B. Pontecorvo 3, 56127 Pisa (Italy); and others

    2016-09-01

    An experimental campaign aiming to investigate the ion acceleration mechanisms through laser-matter interaction in the femtosecond domain has been carried out at the ILIL facility at a laser intensity of up to 2×10{sup 19} W/cm{sup 2}. A Thomson Parabola Spectrometer was used to identify different ion species and measure the energy spectra and the corresponding temperature parameters. We discuss the dependence of the protons spectra upon the structural characteristics of the targets (thickness and atomic mass) and the role of surface versus target bulk during acceleration process. - Highlights: • Ion acceleration mechanism in TNSA regime was investigated. • The energy spectra and the corresponding temperature parameters were measured. • Dependence of the spectra upon the target structural characteristics was discussed.

  5. Chemical modification of polypropylene induced by high energy carbon ions

    Energy Technology Data Exchange (ETDEWEB)

    Saha, A.; Chakraborty, V.; Chintalapudi, S.N. E-mail: snc@gamma.iuc.res.in

    2000-06-01

    Polypropylene was irradiated with {sup 12}C{sup +} ions of 3.6 and 5.4 MeV energy using 3 MV Pelletron. The spectral changes owing to ion bombardment were investigated by UV-VIS and Fourier-transform infrared (FTIR) spectroscopy. A gradual increase in absorbance was observed around visible and near visible region with increase in fluence of bombarding ions. The difference absorption spectra show formation of chromophoric groups with wavelength maximum near 380 nm at lower fluence, but at high fluence a shift in peak is observed. The chromophoric groups are likely to be the extended conjugated polyene system and the red shift in peak position at high fluence may be attributed to the greater degree of conjugation. The formation of unsaturated linkage is confirmed by the FTIR spectra with observed stretching band around 1650 cm{sup -1} and its intensity was found to increase with increase in ion fluence studied. The gases (in the range 2-80 amu) which were evolved due to interaction of polypropylene with {sup 12}C{sup +} ions were measured with Residual Gas Analyzer (RGA). A large number of gaseous components were detected. This shows that polymer chains break into some smaller fragments which concomitantly leads to extended conjugation.

  6. Exotic superconducting states in the extended attractive Hubbard model.

    Science.gov (United States)

    Nayak, Swagatam; Kumar, Sanjeev

    2018-04-04

    We show that the extended attractive Hubbard model on a square lattice allows for a variety of superconducting phases, including exotic mixed-symmetry phases with [Formula: see text] and [Formula: see text] symmetries, and a novel [Formula: see text] state. The calculations are performed within the Hartree-Fock Bardeen-Cooper-Schrieffer framework. The ground states of the mean-field Hamiltonian are obtained via a minimization scheme that relaxes the symmetry constraints on the superconducting solutions, hence allowing for a mixing of s-, p- and d-wave order parameters. The results are obtained within the assumption of uniform-density states. Our results show that extended attractive Hubbard model can serve as an effective model for investigating properties of exotic superconductors.

  7. Interaction of slow, highly charged ions with the surface of ionic crystals

    International Nuclear Information System (INIS)

    Heller, Rene

    2009-01-01

    In this thesis the creation of permanent nanostructures induced by the impact of very slow (v≤5 x 10 5 m/s) highly charged (q≤40) ions on the ionic crystal surfaces of CaF 2 and KBr is investigated. The systematic analysis of the samples surfaces by means of atomic force microscopy supplies information on the influence of the potential as well as the kinetic projectile energy on the process of structure creation. The individual impact of highly charged ions on the KBr(001) surface can initiate the creation of mono-atomic deep pit-like structures -nanopits- with a lateral size of a few 10 nm. The volume of these pits and the corresponding number of sputtered secondary particles show a linear dependence on the projectiles potential energy. For the onset of pit formation a kinetic energy dependent threshold in the potential energy E grenz pot (E kin ) could be identified. Based on the defect-mediated desorption by electrons and by including effects of defect agglomeration a consistent model for the process of pit formation was drawn. In this work the recently discovered creation of hillock-like structures by impact of highly charged ions on CaF 2 (111) surfaces could be verified for lowest kinetic energies (E kin ≤150 eV x q). For the first time the potential energy of impinging projectiles could be identified to be exclusively responsible for the creation of nanostructures. Furthermore, a shift of potential energy threshold for hillock formation was observed for very small projectile velocities. Within the framework of cooperation with the Vienna University of Technology simulations based on the inelastic thermal spike model were performed, which allowed to interlink the individual hillock formation with a local melting of the ionic lattice. The essential influence of electron emission during the interaction of the highly charged ions with the surface on the process of nanostructuring was taken into consideration by complementary investigations of the secondary

  8. Kinetics of interaction from low-energy-ion bombardment of surfaces

    International Nuclear Information System (INIS)

    Horton, C.C.

    1988-01-01

    The kinetics of interaction from low energy oxygen ion bombardment of carbon and Teflon surfaces have been investigated. The surfaces were bombarded with 4.5 to 93 eV oxygen ions and emitted species were observed with a mass spectrometer. To obtain the kinetic information, the ion beam was square pulse modulated and reaction products were observed as a function of time. The kinetic information is contained in the response of the emitted species to the pulsed ion beam. Oxygen bombardment of carbon produced CO in three parallel branches with each following an adsorption-desorption process. The fast branch, with a rate constants of 12,000/sec, appeared to be sputter induced an was absent below about 19 eV. The medium and slow branches, with rate constants of 850/sec and 45/sec respectively, has little energy dependence and appeared to be due to chemical sputtering from two sites. The ratio of the fraction of the medium branch to that of the slow was constant at 1:3. The bombardment of Teflon produced CF in two parallel branches, with one following a series process and the other an adsorb-desorb process. The rate constant of the other branch were 22,000/sec and 7,000/sec and the rate constant of the other branch was 90/sec. The total signal fell monotonically with decreasing ion energy with the fraction for each branch holding constant at 71% for the series and 29% for the adsorb-desorb

  9. Tumour control in ion beam radiotherapy with different ions in the presence of hypoxia: an oxygen enhancement ratio model based on the microdosimetric kinetic model

    Science.gov (United States)

    Strigari, L.; Torriani, F.; Manganaro, L.; Inaniwa, T.; Dalmasso, F.; Cirio, R.; Attili, A.

    2018-03-01

    Few attempts have been made to include the oxygen enhancement ratio (OER) in treatment planning for ion beam therapy, and systematic studies to evaluate the impact of hypoxia in treatment with the beam of different ion species are sorely needed. The radiobiological models used to quantify the OER in such studies are mainly based on the dose-averaged LET estimates, and do not explicitly distinguish between the ion species and fractionation schemes. In this study, a new type of OER modelling, based on the microdosimetric kinetic model, taking into account the specificity of the different ions, LET spectra, tissues and fractionation schemes, has been developed. The model has been benchmarked with published in vitro data, HSG, V79 and CHO cells in aerobic and hypoxic conditions, for different ion irradiation. The model has been included in the simulation of treatments for a clinical case (brain tumour) using proton, lithium, helium, carbon and oxygen ion beams. A study of the tumour control probability (TCP) as a function of oxygen partial pressure, dose per fraction and primary ion type has been performed. The modelled OER depends on both the LET and ion type, also showing a decrease for an increased dose per fraction with a slope that depends on the LET and ion type, in good agreement with the experimental data. In the investigated clinical case, a significant increase in TCP has been found upon increasing the ion charge. Higher OER variations as a function of dose per fraction have also been found for low-LET ions (up to 15% varying from 2 to 8 Gy(RBE) for protons). This model could be exploited in the identification of treatment condition optimality in the presence of hypoxia, including fractionation and primary particle selection.

  10. Computational Tools for Probing Interactions in Multiple Linear Regression, Multilevel Modeling, and Latent Curve Analysis

    Science.gov (United States)

    Preacher, Kristopher J.; Curran, Patrick J.; Bauer, Daniel J.

    2006-01-01

    Simple slopes, regions of significance, and confidence bands are commonly used to evaluate interactions in multiple linear regression (MLR) models, and the use of these techniques has recently been extended to multilevel or hierarchical linear modeling (HLM) and latent curve analysis (LCA). However, conducting these tests and plotting the…

  11. Fast ion beam-laser interactions

    International Nuclear Information System (INIS)

    Berry, H.G.; Young, L.; Engstroem, L.; Hardis, J.E.; Somerville, L.P.; Ray, W.J.; Kurtz, C.

    1985-01-01

    The authors are using collinear laser excitation of fast ion beams to study a number of atomic structure problems. The problems include the determination of fine and hyperfine structure in light positive and negative ions, plus measurements of absolute wavelengths of light from two-electron ions. In addition the authors intend to use a similar experimental arrangement to study excitation and decay of high Rydberg states first in the absence of fields and then in crossed electric and magnetic fields

  12. Poster 29. Modelling of ion exchange processes in ultrapure water

    International Nuclear Information System (INIS)

    Berg, A.; Torstenfelt, B.; Fejes, P.; Foutch, G.L.

    1992-01-01

    The ion exchange process of the Reactor Water Clean-up (RWCU) system has been studied to better use the maximum possible exchange capacity of the ion exchange resin. Laboratory data have been correlated with computer simulations of the ion exchange process. Data were correlated using a mixed-bed ion exchange model for ultralow ionic concentrations developed at Oklahoma State University. Experimental results of the ion exchange column operation in the concentration range of 10 -3 M boric acid is compared with the simulated performance predicted by the computer model. The model is found to agree reasonably well with the data. (author)

  13. Influence of the Coulomb interaction in the final state on the cross section of single-electron capture by fast ions

    International Nuclear Information System (INIS)

    Novikov, N.V.; Teplova, Ya.A.

    2011-01-01

    It is shown that the Coulomb interaction of ions in the final state must be taken into account in the estimation of the cross section of electron capture by fast ions. The cross section of electron capture decreases considerably, and the dependence of the cross section on the collision energy becomes close to the experimental one if the interaction of charged particles after collision is taken into account. -- Highlights: → Coulomb interaction of ions in the final state must be taken into account. → This interaction leads to a considerable decrease in the cross section. → The dependence on energy close to the experimental one.

  14. Magnetosphere-thermosphere coupling: An experiment in interactive modeling

    International Nuclear Information System (INIS)

    Forbes, J.M.; Harel, M.

    1989-01-01

    The Rice convection model (RCM) is utilized to investigate the electrodynamic coupling between the inner magnetosphere and the thermosphere including the effects of EUV- and convection-driven neutral winds under quasi-equilibrium conditions. A unique aspect of the study is that the convection-driven winds are included self-consistently and interactively; that is, a steady state wind parameterization is written analytically in terms of the electrostatic potential, which is in turn included in a closed-loop calculation for the electric potential itself. Simulations are performed from 1,400 UT to 1,600 UT during the CDAW-6 interval on March 22, 1979, when the cross-cap electric potential attains values of order 140-180 kV. During the early phases of the disturbance when the normal shielding from high latitudes breaks down, the neutral winds do not modify appreciably the disturbance electric fields at middle and low latitudes. As the system approaches a quasi-equilibrium state, the neutral winds play a much more significant role. The convection driven component of the neutral wind similarly acts to reduce the southward field in the noon sector, but gives rise to an enhancement in the dusk sector field extending to middle latitudes. The parameterized Pedersen effective winds are of order 300 ms -1 and reflect the familiar two-cell pattern with antisunward flow over the polar cap and return flows in the dawn and dusk sectors. These amplitudes and similarity with the ion drift motions reflect the relatively large contributions to the Pedersen effective winds originating in the upper E region and lower F region of the ionosphere. Possibilities for introducing further sophistication into the wind parameterization are discussed, as well as ramifications of the present study on the possible merging of the RCM with the NCAR TGCM to attain a higher degree of self-consistency and reality in modelling efforts

  15. CCR+: Metadata Based Extended Personal Health Record Data Model Interoperable with the ASTM CCR Standard.

    Science.gov (United States)

    Park, Yu Rang; Yoon, Young Jo; Jang, Tae Hun; Seo, Hwa Jeong; Kim, Ju Han

    2014-01-01

    Extension of the standard model while retaining compliance with it is a challenging issue because there is currently no method for semantically or syntactically verifying an extended data model. A metadata-based extended model, named CCR+, was designed and implemented to achieve interoperability between standard and extended models. Furthermore, a multilayered validation method was devised to validate the standard and extended models. The American Society for Testing and Materials (ASTM) Community Care Record (CCR) standard was selected to evaluate the CCR+ model; two CCR and one CCR+ XML files were evaluated. In total, 188 metadata were extracted from the ASTM CCR standard; these metadata are semantically interconnected and registered in the metadata registry. An extended-data-model-specific validation file was generated from these metadata. This file can be used in a smartphone application (Health Avatar CCR+) as a part of a multilayered validation. The new CCR+ model was successfully evaluated via a patient-centric exchange scenario involving multiple hospitals, with the results supporting both syntactic and semantic interoperability between the standard CCR and extended, CCR+, model. A feasible method for delivering an extended model that complies with the standard model is presented herein. There is a great need to extend static standard models such as the ASTM CCR in various domains: the methods presented here represent an important reference for achieving interoperability between standard and extended models.

  16. Modelling of radiation losses for ion acceleration at ultra-high laser intensities

    Directory of Open Access Journals (Sweden)

    Capdessus Remi

    2013-11-01

    Full Text Available Radiation losses of charged particles can become important in ultra high intensity laser plasma interaction. This process is described by the radiation back reaction term in the electron equation of motion. This term is implemented in the relativistic particle-in-cell code by using a renormalized Lorentz-Abraham-Dirac model. In the hole boring regime case of laser ion acceleration it is shown that radiation losses results in a decrease of the piston velocity.

  17. A Comment on Interaction of Lower Hybrid Waves with the Current-Driven Ion-Acoustic Instability

    DEFF Research Database (Denmark)

    Schrittwieser, R.; Juul Rasmussen, Jens

    1985-01-01

    Majeski et al. (1984) have investigated the interaction between the current-driven 'ion-acoustic' instability and high frequency lower hybrid waves. The 'ion-acoustic' instability was excited by drawing an electron current through the plasma column of a single-ended Q-machine by means...... of a positively biased cold plate. Schmittwieser et al. do not believe that the observed instability is of the ion-acoustic type but that it is rather the so-called potential relaxation instability....

  18. Relativistic configuration-interaction calculation of the correlation energies of heliumlike ions. Revision 1

    International Nuclear Information System (INIS)

    Cheng, K.T.; Chen, M.H.; Johnson, W.R.

    1994-04-01

    A new relativistic configuration-interaction (CI) method using B-spline basis functions has been developed to study the correlation energies of two-electron heliumlike ions. Based on the relativistic no-pair Hamiltonian, the CI equation leads to a symmetric eigenvalue problem involving large, dense matrices. Davidson's method is used to obtain the lowest few eigenenergies and eigenfunctions. Results on transition energies and finite structure splittings for heliumlike ions are in very good agreement with experiment throughout the periodic table

  19. 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

  20. Modeling Drug-Carrier Interaction in the Drug Release from Nanocarriers

    Directory of Open Access Journals (Sweden)

    Like Zeng

    2011-01-01

    Full Text Available Numerous nanocarriers of various compositions and geometries have been developed for the delivery and release of therapeutic and imaging agents. Due to the high specific surface areas of nanocarriers, different mechanisms such as ion pairing and hydrophobic interaction need to be explored for achieving sustained release. Recently, we developed a three-parameter model that considers reversible drug-carrier interaction and first-order drug release from liposomes. A closed-form analytical solution was obtained. Here, we further explore the ability of the model to capture the release of bioactive molecules such as drugs and growth factors from various nanocarriers. A parameter study demonstrates that the model is capable of resembling major categories of drug release kinetics. We further fit the model to 60 sets of experimental data from various drug release systems, including nanoparticles, hollow particles, fibers, and hollow fibers. Additionally, bootstrapping is used to evaluate the accuracy of parameter determination and validate the model in selected cases. The simplicity and universality of the model and the clear physical meanings of each model parameter render the model useful for the design and development of new drug delivery systems.

  1. Modelling ion cyclotron emission from KSTAR tokamak and LHD helical device plasmas

    Science.gov (United States)

    Dendy, Richard; Chapman, Ben; Reman, Bernard; Chapman, Sandra; Akiyama, Tsuyoshi; Yun, Gunsu

    2017-10-01

    New high quality measurements of ion cyclotron emission (ICE) from KSTAR and LHD greatly extend the scope and diversity of plasma conditions under which ICE is observed. Variables include the origin (fusion reactions or neutral beam injection) and energy (sub- or super-Alfvénic) of the minority energetic ions that drive ICE; the composition of the bulk plasma (hydrogen or deuterium) which supports the modes excited; plasma density in the emitting region, and the timescale on which it changes; and toroidal magnetic field geometry (tokamak or helical device). Future exploitation of ICE as a diagnostic for energetic ion populations in JET D-T plasmas and in ITER rests on quantitative understanding of the physics of the emission. This is tested and extended by current KSTAR and LHD measurements of ICE. We report progress on direct numerical simulation using full orbit ion kinetic codes that solve the Maxwell-Lorentz equations for hundreds of millions of particles. In the saturated regime, these simulations yield excited field spectra that correspond directly to the measured ICE spectra under diverse KSTAR and LHD regimes. At early times, comparison of simulation outputs with linear analytical theory confirms the magnetoacoustic cyclotron instability as the basic driver of ICE. Supported by RCUK Energy Programme Grant EP/P012450/1, NRF Korea Grant 2014M1A7A1A03029881, NIFS budget ULHH029 and Euratom.

  2. Ions in solution basic principles of chemical interactions

    CERN Document Server

    Burgess, J

    1999-01-01

    This outline of the principles and chemical interactions in inorganic solution chemistry delivers a course module in an area of considerable complexity. Problems with solutions and tutorial hints to test comprehension have been added as a feature to check readers' understanding and assist self-study. Exercises and projects are also provided to help readers deepen and extend their knowledge and understanding. Inorganic solution chemistry is treated thoroughly Emphasis is placed upon NMR, UV-VIS, IR Raman spectroscopy, X-ray diffraction, and such topics as acid-base behaviour, stability constants and kinetics.

  3. ModFossa: A library for modeling ion channels using Python.

    Science.gov (United States)

    Ferneyhough, Gareth B; Thibealut, Corey M; Dascalu, Sergiu M; Harris, Frederick C

    2016-06-01

    The creation and simulation of ion channel models using continuous-time Markov processes is a powerful and well-used tool in the field of electrophysiology and ion channel research. While several software packages exist for the purpose of ion channel modeling, most are GUI based, and none are available as a Python library. In an attempt to provide an easy-to-use, yet powerful Markov model-based ion channel simulator, we have developed ModFossa, a Python library supporting easy model creation and stimulus definition, complete with a fast numerical solver, and attractive vector graphics plotting.

  4. Analytic investigation of extended Heitler-Matthews model

    Energy Technology Data Exchange (ETDEWEB)

    Grimm, Stefan; Veberic, Darko; Engel, Ralph [KIT, IKP (Germany)

    2016-07-01

    Many features of extensive air showers are qualitatively well described by the Heitler cascade model and its extensions. The core of a shower is given by hadrons that interact with air nuclei. After each interaction some of these hadrons decay and feed the electromagnetic shower component. The most important parameters of such hadronic interactions are inelasticity, multiplicity, and the ratio of charged vs. neutral particles. However, in analytic considerations approximations are needed to include the characteristics of hadron production. We discuss extensions of the simple cascade model by analytic description of air showers by cascade models which include also the elasticity, and derive the number of produced muons. In a second step we apply this model to calculate the dependence of the shower center of gravity on model parameters. The depth of the center of gravity is closely related to that of the shower maximum, which is a commonly-used composition-sensitive observable.

  5. Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.

    Science.gov (United States)

    Katti, Sachin; Nyenhuis, Sarah B; Her, Bin; Srivastava, Atul K; Taylor, Alexander B; Hart, P John; Cafiso, David S; Igumenova, Tatyana I

    2017-06-27

    C2 domains are independently folded modules that often target their host proteins to anionic membranes in a Ca 2+ -dependent manner. In these cases, membrane association is triggered by Ca 2+ binding to the negatively charged loop region of the C2 domain. Here, we used a non-native metal ion, Cd 2+ , in lieu of Ca 2+ to gain insight into the contributions made by long-range Coulombic interactions and direct metal ion-lipid bridging to membrane binding. Using X-ray crystallography, NMR, Förster resonance energy transfer, and vesicle cosedimentation assays, we demonstrate that, although Cd 2+ binds to the loop region of C2A/B domains of synaptotagmin 1 with high affinity, long-range Coulombic interactions are too weak to support membrane binding of individual domains. We attribute this behavior to two factors: the stoichiometry of Cd 2+ binding to the loop regions of the C2A and C2B domains and the impaired ability of Cd 2+ to directly coordinate the lipids. In contrast, electron paramagnetic resonance experiments revealed that Cd 2+ does support membrane binding of the C2 domains in full-length synaptotagmin 1, where the high local lipid concentrations that result from membrane tethering can partially compensate for lack of a full complement of divalent metal ions and specific lipid coordination in Cd 2+ -complexed C2A/B domains. Our data suggest that long-range Coulombic interactions alone can drive the initial association of C2A/B with anionic membranes and that Ca 2+ further augments membrane binding by the formation of metal ion-lipid coordination bonds and additional Ca 2+ ion binding to the C2 domain loop regions.

  6. Light ions radiobiological effects on human tumoral cells: measurements modelling and application to hadron-therapy

    International Nuclear Information System (INIS)

    Jalade, P.

    2005-11-01

    In classical radiotherapy, the characteristics of photons interactions undergo limits for the treatment of radioresistant and not well located tumours. Pioneering treatments of patients at the Lawrence Laboratory at Berkeley has demonstrated two advantages of hadrons beams: the Relative Biologic Effect (the RBE) and the ballistic of the beams. Since 1994, the clinical centre at Chiba, has demonstrated successfully the applicability of the method. A physics group, managed by G. Kraft, at Darmstadt in Germany, has underlined the advantages of carbon beams. An European pool, called ENGIGHT (European Network for LIGHt ion Therapy) has been created in which the French ETOILE project appeared. The purpose of the thesis concerns measurements and models of 'in vitro' human cells survival. In the first part, the nowadays situation in particles interactions, tracks and cells structures and radiobiology is presented here. The second is devoted to the models based on the beam tracks and localization of the physical dose. Discussion of sensitivity to various parameters of the model has been realized with the help of numerical simulations. Finally the predictions of the improved model has been compared to experimental irradiations of human cells with argon and carbon beams of the GANIL machine. Conclusion of such study shows the performance and limits of a local model for predicting the radiobiological efficiency of light ions in hadron-therapy. (author)

  7. Ab initio calculation atomics ground state wave function for interactions Ion- Atom

    International Nuclear Information System (INIS)

    Shojaee, F.; Bolori zadeh, M. A.

    2007-01-01

    Ab initio calculation atomics ground state wave function for interactions Ion- Atom Atomic wave function expressed in a Slater - type basis obtained within Roothaan- Hartree - Fock for the ground state of the atoms He through B. The total energy is given for each atom.

  8. Thermodynamic admissibility of the extended Pom-Pom model for branched polymers

    NARCIS (Netherlands)

    Soulages, J.; Hütter, M.; Öttinger, H.C.

    2006-01-01

    The thermodynamic consistency of the eXtended Pom-Pom (XPP) model for branched polymers of Verbeeten et al. [W.M.H. Verbeeten, G.W.M. Peters, F.P.T. Baaijens, Differential constitutive equations for polymer melts: the extended pom-pom model, J. Rheol. 45 (4) (2001) 823–843; W.M.H. Verbeeten, G.W.M.

  9. Solution of the Dirac Coulomb equation for helium-like ions in the Poet-Temkin model.

    Science.gov (United States)

    Tang, Li-Yan; Tang, Yong-Bo; Shi, Ting-Yun; Mitroy, J

    2013-10-07

    The Dirac-Coulomb equation for the helium atom is studied under the restrictions of the Poet-Temkin model which replaces the 1/r12 interaction by the simplified 1/r> form. The effective reduction in the dimensionality made it possible to obtain binding energies for the singlet and triplet states in this model problem with a relative precision from 10(-8) to 10(-10). The energies for the singlet state were consistent with a previous configuration interaction calculation [H. Tatewaki and Y. Watanabe, Chem. Phys. 389, 58 (2011)]. Manifestations of Brown-Ravenhall disease were noted at higher values of nuclear charge and ultimately limited the accuracy of the Poet-Temkin model energy. The energies from a no-pair configuration interaction (CI) calculation (the negative-energy states for the appropriate hydrogen-like ion were excluded from the CI expansion) were found to be different from the unrestricted B-spline calculation.

  10. Solution of the Dirac Coulomb equation for helium-like ions in the Poet-Temkin model

    Science.gov (United States)

    Tang, Li-Yan; Tang, Yong-Bo; Shi, Ting-Yun; Mitroy, J.

    2013-10-01

    The Dirac-Coulomb equation for the helium atom is studied under the restrictions of the Poet-Temkin model which replaces the 1/r12 interaction by the simplified 1/r> form. The effective reduction in the dimensionality made it possible to obtain binding energies for the singlet and triplet states in this model problem with a relative precision from 10-8 to 10-10. The energies for the singlet state were consistent with a previous configuration interaction calculation [H. Tatewaki and Y. Watanabe, Chem. Phys. 389, 58 (2011)]. Manifestations of Brown-Ravenhall disease were noted at higher values of nuclear charge and ultimately limited the accuracy of the Poet-Temkin model energy. The energies from a no-pair configuration interaction (CI) calculation (the negative-energy states for the appropriate hydrogen-like ion were excluded from the CI expansion) were found to be different from the unrestricted B-spline calculation.

  11. A double-layer based model of ion confinement in electron cyclotron resonance ion source

    Energy Technology Data Exchange (ETDEWEB)

    Mascali, D., E-mail: davidmascali@lns.infn.it; Neri, L.; Celona, L.; Castro, G.; Gammino, S.; Ciavola, G. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, via S. Sofia 62, 95123 Catania (Italy); Torrisi, G. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, via S. Sofia 62, 95123 Catania (Italy); Università Mediterranea di Reggio Calabria, Dipartimento di Ingegneria dell’Informazione, delle Infrastrutture e dell’Energia Sostenibile, Via Graziella, I-89100 Reggio Calabria (Italy); Sorbello, G. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, via S. Sofia 62, 95123 Catania (Italy); Università degli Studi di Catania, Dipartimento di Ingegneria Elettrica Elettronica ed Informatica, Viale Andrea Doria 6, 95125 Catania (Italy)

    2014-02-15

    The paper proposes a new model of ion confinement in ECRIS, which can be easily generalized to any magnetic configuration characterized by closed magnetic surfaces. Traditionally, ion confinement in B-min configurations is ascribed to a negative potential dip due to superhot electrons, adiabatically confined by the magneto-static field. However, kinetic simulations including RF heating affected by cavity modes structures indicate that high energy electrons populate just a thin slab overlapping the ECR layer, while their density drops down of more than one order of magnitude outside. Ions, instead, diffuse across the electron layer due to their high collisionality. This is the proper physical condition to establish a double-layer (DL) configuration which self-consistently originates a potential barrier; this “barrier” confines the ions inside the plasma core surrounded by the ECR surface. The paper will describe a simplified ion confinement model based on plasma density non-homogeneity and DL formation.

  12. Modelling RF-plasma interaction in ECR ion sources

    Directory of Open Access Journals (Sweden)

    Mascali David

    2017-01-01

    Full Text Available This paper describes three-dimensional self-consistent numerical simulations of wave propagation in magnetoplasmas of Electron cyclotron resonance ion sources (ECRIS. Numerical results can give useful information on the distribution of the absorbed RF power and/or efficiency of RF heating, especially in the case of alternative schemes such as mode-conversion based heating scenarios. Ray-tracing approximation is allowed only for small wavelength compared to the system scale lengths: as a consequence, full-wave solutions of Maxwell-Vlasov equation must be taken into account in compact and strongly inhomogeneous ECRIS plasmas. This contribution presents a multi-scale temporal domains approach for simultaneously including RF dynamics and plasma kinetics in a “cold-plasma”, and some perspectives for “hot-plasma” implementation. The presented results rely with the attempt to establish a modal-conversion scenario of OXB-type in double frequency heating inside an ECRIS testbench.

  13. Thermodynamics of strongly interacting system from reparametrized Polyakov-Nambu-Jona-Lasinio model

    International Nuclear Information System (INIS)

    Bhattacharyya, Abhijit; Ghosh, Sanjay K.; Maity, Soumitra; Raha, Sibaji; Ray, Rajarshi; Saha, Kinkar; Upadhaya, Sudipa

    2017-01-01

    The Polyakov-Nambu-Jona-Lasinio model has been quite successful in describing various qualitative features of observables for strongly interacting matter, that are measurable in heavy-ion collision experiments. The question still remains on the quantitative uncertainties in the model results. Such an estimation is possible only by contrasting these results with those obtained from rst principles using the lattice QCD framework. Recently a variety of lattice QCD data were reported in the realistic continuum limit. Here we make a first attempt at reparametrizing the model so as to reproduce these lattice data

  14. Rydberg Molecules for Ion-Atom Scattering in the Ultracold Regime.

    Science.gov (United States)

    Schmid, T; Veit, C; Zuber, N; Löw, R; Pfau, T; Tarana, M; Tomza, M

    2018-04-13

    We propose a novel experimental method to extend the investigation of ion-atom collisions from the so far studied cold, essentially classical regime to the ultracold, quantum regime. The key aspect of this method is the use of Rydberg molecules to initialize the ultracold ion-atom scattering event. We exemplify the proposed method with the lithium ion-atom system, for which we present simulations of how the initial Rydberg molecule wave function, freed by photoionization, evolves in the presence of the ion-atom scattering potential. We predict bounds for the ion-atom scattering length from ab initio calculations of the interaction potential. We demonstrate that, in the predicted bounds, the scattering length can be experimentally determined from the velocity of the scattered wave packet in the case of ^{6}Li^{+}-^{6}Li and from the molecular ion fraction in the case of ^{7}Li^{+}-^{7}Li. The proposed method to utilize Rydberg molecules for ultracold ion-atom scattering, here particularized for the lithium ion-atom system, is readily applicable to other ion-atom systems as well.

  15. Jet Physics with A Large Ion Collider Experiment at the Large Hadron Collider

    CERN Document Server

    Klein, Jochen

    In the presence of the strongly-interacting medium created in relativistic heavy-ion collisions, highly energetic partons from hard interactions lose energy through scattering and radiating. This effect, referred to as jet quenching, is observed as a suppression of particles with large momenta transverse to the beam axis (high-$p_\\perp$). To study the impact of the medium evolution on the energy loss modelling in the Monte Carlo event generator JEWEL, we compare results obtained for different scenarios of Au-Au collisions at $\\sqrt{s_\\mathrm{NN}} = 200~\\mathrm{GeV}$. For this purpose, JEWEL was extended to use the output of relativistic hydrodynamic calculations in the OSCAR2008H format. We find the modelling of common observables, e.g. the nuclear modification factor, to be rather insensitive to the details of the medium evolution, for which the analytically accessible Bjorken expansion can thus be considered adequate. The OSCAR interface now allows further studies also at LHC energies. Jets of large transve...

  16. Self-Consistent Model of Magnetospheric Electric Field, Ring Current, Plasmasphere, and Electromagnetic Ion Cyclotron Waves: Initial Results

    Science.gov (United States)

    Gamayunov, K. V.; Khazanov, G. V.; Liemohn, M. W.; Fok, M.-C.; Ridley, A. J.

    2009-01-01

    Further development of our self-consistent model of interacting ring current (RC) ions and electromagnetic ion cyclotron (EMIC) waves is presented. This model incorporates large scale magnetosphere-ionosphere coupling and treats self-consistently not only EMIC waves and RC ions, but also the magnetospheric electric field, RC, and plasmasphere. Initial simulations indicate that the region beyond geostationary orbit should be included in the simulation of the magnetosphere-ionosphere coupling. Additionally, a self-consistent description, based on first principles, of the ionospheric conductance is required. These initial simulations further show that in order to model the EMIC wave distribution and wave spectral properties accurately, the plasmasphere should also be simulated self-consistently, since its fine structure requires as much care as that of the RC. Finally, an effect of the finite time needed to reestablish a new potential pattern throughout the ionosphere and to communicate between the ionosphere and the equatorial magnetosphere cannot be ignored.

  17. Thermodynamics of interactions between organic ammonium ions and sulfonatocalixarenes

    Energy Technology Data Exchange (ETDEWEB)

    Wang Lihua [Department of Chemistry, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin 300071 (China); Guo Dongsheng [Department of Chemistry, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin 300071 (China); Chen Yong [Department of Chemistry, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin 300071 (China); Liu Yu [Department of Chemistry, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin 300071 (China)]. E-mail: yuliu@nankai.edu.cn

    2006-04-01

    Calorimetric titration and NMR experiments in aqueous phosphate buffer (pH 7.2) at 298.15 K have been done to determine the binding mode, complex stability constants and thermodynamics ({delta}G{sup o}, {delta}H{sup o}, and T{delta}S{sup o}) for 1:1 inclusion complexation of water-soluble calix[n]arenesulfonates (CnAS, n = 4 and 6) and thiacalix[4]arene tetrasulfonate (TCAS) with acethylcholine, carnitine, betaine and benzyltrimethylammonium ion. The results show the inclusion complexations are driven by enthalpy ({delta}H{sup o} < 0), accompanied by negative entropic changes ({delta}S{sup o} < 0). The binding affinities (C4AS > C6AS > TCAS) are discussed from the viewpoint of CH-{pi}/{pi}-{pi} interactions, electrostatic interactions and size/shape-fit relationship between host and guest.

  18. Measuring baryon-(anti-)baryon interaction cross-sections with femtoscopy in Heavy-Ion Collisions

    Energy Technology Data Exchange (ETDEWEB)

    Kisiel, A.

    2016-12-15

    Two-particle correlations at low relative momentum (femtoscopy) are used to study the space-time dynamics of the source created in heavy-ion collisions. The same method can be used in a novel way to study the Final State Interaction potential for various particle pairs. The parameters are also directly related to the relevant interaction cross-sections. Of special interest are correlations of baryons, where the strong interaction often dominates. The femtoscopic technique offers a unique opportunity to study this interaction in such systems. In this work we discuss the similarities and differences of such measurement for baryon-baryon and baryon-antibaryon pairs.

  19. Baryons and baryonic matter in four-fermion interaction models

    International Nuclear Information System (INIS)

    Urlichs, K.

    2007-01-01

    In this work we discuss baryons and baryonic matter in simple four-fermion interaction theories, the Gross-Neveu model and the Nambu-Jona-Lasinio model in 1+1 and 2+1 space-time dimensions. These models are designed as toy models for dynamical symmetry breaking in strong interaction physics. Pointlike interactions (''four-fermion'' interactions) between quarks replace the full gluon mediated interaction of quantum chromodynamics. We consider the limit of a large number of fermion flavors, where a mean field approach becomes exact. This method is formulated in the language of relativistic many particle theory and is equivalent to the Hartree-Fock approximation. In 1+1 dimensions, we generalize known results on the ground state to the case where chiral symmetry is broken explicitly by a bare mass term. For the Gross-Neveu model, we derive an exact self-consistent solution for the finite density ground state, consisting of a one-dimensional array of equally spaced potential wells, a baryon crystal. For the Nambu- Jona-Lasinio model we apply the derivative expansion technique to calculate the total energy in powers of derivatives of the mean field. In a picture akin to the Skyrme model of nuclear physics, the baryon emerges as a topological soliton. The solution for both the single baryon and dense baryonic matter is given in a systematic expansion in powers of the pion mass. The solution of the Hartree-Fock problem is more complicated in 2+1 dimensions. In the massless Gross-Neveu model we derive an exact self-consistent solution by extending the baryon crystal of the 1+1 dimensional model, maintaining translational invariance in one spatial direction. This one-dimensional configuration is energetically degenerate to the translationally invariant solution, a hint in favor of a possible translational symmetry breakdown by more general geometrical structures. In the Nambu-Jona-Lasinio model, topological soliton configurations induce a finite baryon number. In contrast

  20. Baryons and baryonic matter in four-fermion interaction models

    Energy Technology Data Exchange (ETDEWEB)

    Urlichs, K.

    2007-02-23

    In this work we discuss baryons and baryonic matter in simple four-fermion interaction theories, the Gross-Neveu model and the Nambu-Jona-Lasinio model in 1+1 and 2+1 space-time dimensions. These models are designed as toy models for dynamical symmetry breaking in strong interaction physics. Pointlike interactions (''four-fermion'' interactions) between quarks replace the full gluon mediated interaction of quantum chromodynamics. We consider the limit of a large number of fermion flavors, where a mean field approach becomes exact. This method is formulated in the language of relativistic many particle theory and is equivalent to the Hartree-Fock approximation. In 1+1 dimensions, we generalize known results on the ground state to the case where chiral symmetry is broken explicitly by a bare mass term. For the Gross-Neveu model, we derive an exact self-consistent solution for the finite density ground state, consisting of a one-dimensional array of equally spaced potential wells, a baryon crystal. For the Nambu- Jona-Lasinio model we apply the derivative expansion technique to calculate the total energy in powers of derivatives of the mean field. In a picture akin to the Skyrme model of nuclear physics, the baryon emerges as a topological soliton. The solution for both the single baryon and dense baryonic matter is given in a systematic expansion in powers of the pion mass. The solution of the Hartree-Fock problem is more complicated in 2+1 dimensions. In the massless Gross-Neveu model we derive an exact self-consistent solution by extending the baryon crystal of the 1+1 dimensional model, maintaining translational invariance in one spatial direction. This one-dimensional configuration is energetically degenerate to the translationally invariant solution, a hint in favor of a possible translational symmetry breakdown by more general geometrical structures. In the Nambu-Jona-Lasinio model, topological soliton configurations induce a finite baryon