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Sample records for two-metal ion mechanism

  1. Multi stage electrodialysis for separation of two metal ion species

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, K.; Sakurai, H.; Nii, S.; Sugiura, K. [Nagoya Univ., Nagoya (Japan)

    1995-04-20

    In this article, separation of two metal ions by electrodialysis with a cation exchange membrane has been investigated. In other words, separation of potassium ion and sodium ion has been investigated by using batch dialysis with and without an electric field and continuous electrodialysis with a four-stage dialyzer. As a result, the difference in the permselectivity between the dialysis with and without an electric field has not been appreciable for the system of potassium and sodium ions with the cation exchange membrane. Concerning the continuous electrodialysis, the concentration ratio between potassium and sodium ions in the outlet solution from the recovery side of the dialyzer has increased with the reflux flow rate and the number of stages. In case when the reflux flow rate has been zero, the concentration ratio with the four-stage dialyzer has become 1.5 which is almost the same as with that with a two-stage dialyzer consisting of a simple membrane. When the reflux flow ratio has been 0.7, the concentration ratio has reached 3.6. 20 refs., 8 figs.

  2. Negative hydrogen ion production mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Bacal, M. [UPMC, LPP, Ecole Polytechnique, UMR CNRS 7648, Palaiseau (France); Wada, M. [School of Science and Engineering, Doshisha University, Kyoto 610-0321 (Japan)

    2015-06-15

    Negative hydrogen/deuterium ions can be formed by processes occurring in the plasma volume and on surfaces facing the plasma. The principal mechanisms leading to the formation of these negative ions are dissociative electron attachment to ro-vibrationally excited hydrogen/deuterium molecules when the reaction takes place in the plasma volume, and the direct electron transfer from the low work function metal surface to the hydrogen/deuterium atoms when formation occurs on the surface. The existing theoretical models and reported experimental results on these two mechanisms are summarized. Performance of the negative hydrogen/deuterium ion sources that emerged from studies of these mechanisms is reviewed. Contemporary negative ion sources do not have negative ion production electrodes of original surface type sources but are operated with caesium with their structures nearly identical to volume production type sources. Reasons for enhanced negative ion current due to caesium addition to these sources are discussed.

  3. Lithium Ion Battery Anode Aging Mechanisms

    Science.gov (United States)

    Agubra, Victor; Fergus, Jeffrey

    2013-01-01

    Degradation mechanisms such as lithium plating, growth of the passivated surface film layer on the electrodes and loss of both recyclable lithium ions and electrode material adversely affect the longevity of the lithium ion battery. The anode electrode is very vulnerable to these degradation mechanisms. In this paper, the most common aging mechanisms occurring at the anode during the operation of the lithium battery, as well as some approaches for minimizing the degradation are reviewed. PMID:28809211

  4. Mechanisms for production of highly charged ions

    International Nuclear Information System (INIS)

    McGuire, J.H.

    1987-01-01

    Various experimental data at high collision velocity are interpreted in terms of direct (D) and rearrangement (R) mechanisms for production of multiply charged ions. We consider double ionization in helium by protons, electrons, heavy ions, antiprotons, positrons and photons. Qualitative differences are discussed in the context of the R and D mechanisms. Multiple ionization in many electron atoms is considered as is simultaneous capture and ionization and fragmentation of methane molecules. Some other theoretical methods are briefly discussed. (orig.)

  5. Review of heavy ion reaction mechanisms

    International Nuclear Information System (INIS)

    Ngo, C.

    1986-04-01

    We review some of the many aspects of heavy-ion reaction mechanisms observed at bombarding energies smaller than approximately 50 MeV/u that is to say in what is called the low bombarding energy domain and the intermediate bombarding energy domain. We emphasize the results concerning the use of very heavy projectiles which has led to the observation of new mechanisms

  6. Mechanical Design of Carbon Ion Optics

    Science.gov (United States)

    Haag, Thomas

    2005-01-01

    Carbon Ion Optics are expected to provide much longer thruster life due to their resistance to sputter erosion. There are a number of different forms of carbon that have been used for fabricating ion thruster optics. The mechanical behavior of carbon is much different than that of most metals, and poses unique design challenges. In order to minimize mission risk, the behavior of carbon must be well understood, and components designed within material limitations. Thermal expansion of the thruster structure must be compatible with thermal expansion of the carbon ion optics. Specially designed interfaces may be needed so that grid gap and aperture alignment are not adversely affected by dissimilar material properties within the thruster. The assembled thruster must be robust and tolerant of launch vibration. The following paper lists some of the characteristics of various carbon materials. Several past ion optics designs are discussed, identifying strengths and weaknesses. Electrostatics and material science are not emphasized so much as the mechanical behavior and integration of grid electrodes into an ion thruster.

  7. Mechanical properties of ion implanted ceramic surfaces

    International Nuclear Information System (INIS)

    Burnett, P.J.

    1985-01-01

    This thesis investigates the mechanisms by which ion implantation can affect those surface mechanical properties of ceramics relevant to their tribological behaviour, specifically hardness and indentation fracture. A range of model materials (including single crystal Si, SiC, A1 2 0 3 , Mg0 and soda-lime-silica glass) have been implanted with a variety of ion species and at a range of ion energies. Significant changes have been found in both low-load microhardness and indentation fracture behaviour. The changes in hardness have been correlated with the evolution of an increasingly damaged and eventually amorphous thin surface layer together with the operation of radiation-, solid-solution- and precipitation-hardening mechanisms. Compressive surface stresses have been shown to be responsible for the observed changes in identation fracture behaviour. In addition, the levels of surface stress present have been correlated with the structure of the surface layer and a simple quantitative model proposed to explain the observed stress-relief upon amorphisation. Finally, the effects of ion implantation upon a range of polycrystalline ceramic materials has been investigated and the observed properties modifications compared and contrasted to those found for the model single crystal materials. (author)

  8. Single-ion nonlinear mechanical oscillator

    International Nuclear Information System (INIS)

    Akerman, N.; Kotler, S.; Glickman, Y.; Dallal, Y.; Keselman, A.; Ozeri, R.

    2010-01-01

    We study the steady-state motion of a single trapped ion oscillator driven to the nonlinear regime. Damping is achieved via Doppler laser cooling. The ion motion is found to be well described by the Duffing oscillator model with an additional nonlinear damping term. We demonstrate here the unique ability of tuning both the linear as well as the nonlinear damping coefficients by controlling the laser-cooling parameters. Our observations pave the way for the investigation of nonlinear dynamics on the quantum-to-classical interface as well as mechanical noise squeezing in laser-cooling dynamics.

  9. Mechanical properties of ion-implanted alumina

    International Nuclear Information System (INIS)

    Pope, S.G.

    1988-01-01

    Monolithic oxide ceramics are being proposed as structural materials in continuously more-demanding applications. The demands being placed on these materials have caused concern pertaining to the continued growth of oxide structural ceramics due to limited toughness. The realization that ceramic strength and toughness can be affected by surface conditions has led to many surface-modification techniques, all striving to improve the mechanical properties of ceramics. Along these lines, the effects of ion implantation as a surface modification technique for improvement of the mechanical properties of alumina were studied. Initially, sapphire samples were implanted with elemental ion species that would produce oxide precipitates within the sapphire surface when annealed in an oxygen-containing atmosphere. Optimum conditions as determined from implantation into sapphire were then used to modify a polycrystalline alumina. Specific modifications in microhardness, indentation fracture toughness and flexure strength are reported for the parameters studied. Microstructure and phase relationships related to modified surfaces properties are also reported

  10. Ion Concentration- and Voltage-Dependent Push and Pull Mechanisms of Potassium Channel Ion Conduction.

    Directory of Open Access Journals (Sweden)

    Kota Kasahara

    Full Text Available The mechanism of ion conduction by potassium channels is one of the central issues in physiology. In particular, it is still unclear how the ion concentration and the membrane voltage drive ion conduction. We have investigated the dynamics of the ion conduction processes in the Kv1.2 pore domain, by molecular dynamics (MD simulations with several different voltages and ion concentrations. By focusing on the detailed ion movements through the pore including selectivity filter (SF and cavity, we found two major conduction mechanisms, called the III-IV-III and III-II-III mechanisms, and the balance between the ion concentration and the voltage determines the mechanism preference. In the III-IV-III mechanism, the outermost ion in the pore is pushed out by a new ion coming from the intracellular fluid, and four-ion states were transiently observed. In the III-II-III mechanism, the outermost ion is pulled out first, without pushing by incoming ions. Increases in the ion concentration and voltage accelerated ion conductions, but their mechanisms were different. The increase in the ion concentrations facilitated the III-IV-III conductions, while the higher voltages increased the III-II-III conductions, indicating that the pore domain of potassium channels permeates ions by using two different driving forces: a push by intracellular ions and a pull by voltage.

  11. Reaction mechanisms in heavy ion fusion

    Directory of Open Access Journals (Sweden)

    Lubian J.

    2011-10-01

    Full Text Available We discuss the reaction mechanisms involved in heavy ion fusion. We begin with collisions of tightly bound systems, considering three energy regimes: energies above the Coulomb barrier, energies just below the barrier and deep sub-barrier energies. We show that channel coupling effects may influence the fusion process at above-barrier energies, increasing or reducing the cross section predicted by single barrier penetration model. Below the Coulomb barrier, it enhances the cross section, and this effect increases with the system’s size. It is argued that this behavior can be traced back to the increasing importance of Coulomb coupling with the charge of the collision partners. The sharp drop of the fusion cross section observed at deep sub-barrier energies is addressed and the theoretical approaches to this phenomenon are discussed. We then consider the reaction mechanisms involved in fusion reactions of weakly bound systems, paying particular attention to the calculations of complete and incomplete fusion available in the literature.

  12. Light ion reaction mechanisms and nuclear structure

    International Nuclear Information System (INIS)

    Robson, B.A.

    1986-01-01

    Of the many contributions to the subject 'Light ion reaction mechanism and nuclear structure', a few are selected and reviewed which highlight the present state of the field. Some contributions to the conference dealing with nuclear interactions are briefly outlined in the second section following an introductory section. Lane model calculations are compared with data for 9 Be and results are given showing angular distributions of the cross sections, the analyzing powers and the spin-rotation parameters for p - 40 Ca. Real central potential for d + 32 s resulting from the FB-analysis are compared with frozen density folding and delta-function folding. The third section deals with reaction mechanism. Data are cited which show near-side and far-side contributions to the calculated analyzing powers in the 116 Sn(d,p) 117 Sn (11.2 - ) transition. Calculations are compared with experimental A y and -(A yy + 2)/3. Also given are measurements of the cross sections and analyzing powers of the continuum energy spectra for the 58 Ni(p,p'x), along with relations between the analyzing powers and momentum transfer. The fourth section addresses nuclear structure. Cross sections and analyzing powers measured at 22 MeV for the reaction 208 Pb(p,t) 206 Pb(3 2 + ) are cited and considered. (Nogami, K.)

  13. Diagnostics for studies of novel laser ion acceleration mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Senje, Lovisa; Aurand, Bastian; Wahlström, Claes-Göran [Department of Physics, Lund University, P. O. Box 118, S-221 00 Lund (Sweden); Yeung, Mark; Kuschel, Stephan; Rödel, Christian [Helmholtz-Institut Jena, D-07743 Jena (Germany); Wagner, Florian; Roth, Markus [Technische Universität Darmstadt, D-64289 Darmstadt (Germany); Li, Kun; Neumayer, Paul [ExtreMe Matter Institut, D-64291 Darmstadt (Germany); Dromey, Brendan; Jung, Daniel [Department of Physics and Astronomy, Queen' s University, Belfast BT7 1NN (United Kingdom); Bagnoud, Vincent [Helmholtz-Institut Jena, D-07743 Jena (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Zepf, Matthew [Helmholtz-Institut Jena, D-07743 Jena (Germany); Department of Physics and Astronomy, Queen' s University, Belfast BT7 1NN (United Kingdom); Kuehl, Thomas [ExtreMe Matter Institut, D-64291 Darmstadt (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Universität Mainz, D-55099 Mainz (Germany)

    2014-11-15

    Diagnostic for investigating and distinguishing different laser ion acceleration mechanisms has been developed and successfully tested. An ion separation wide angle spectrometer can simultaneously investigate three important aspects of the laser plasma interaction: (1) acquire angularly resolved energy spectra for two ion species, (2) obtain ion energy spectra for multiple species, separated according to their charge to mass ratio, along selected axes, and (3) collect laser radiation reflected from and transmitted through the target and propagating in the same direction as the ion beam. Thus, the presented diagnostic constitutes a highly adaptable tool for accurately studying novel acceleration mechanisms in terms of their angular energy distribution, conversion efficiency, and plasma density evolution.

  14. Diagnostics for studies of novel laser ion acceleration mechanisms

    International Nuclear Information System (INIS)

    Senje, Lovisa; Aurand, Bastian; Wahlström, Claes-Göran; Yeung, Mark; Kuschel, Stephan; Rödel, Christian; Wagner, Florian; Roth, Markus; Li, Kun; Neumayer, Paul; Dromey, Brendan; Jung, Daniel; Bagnoud, Vincent; Zepf, Matthew; Kuehl, Thomas

    2014-01-01

    Diagnostic for investigating and distinguishing different laser ion acceleration mechanisms has been developed and successfully tested. An ion separation wide angle spectrometer can simultaneously investigate three important aspects of the laser plasma interaction: (1) acquire angularly resolved energy spectra for two ion species, (2) obtain ion energy spectra for multiple species, separated according to their charge to mass ratio, along selected axes, and (3) collect laser radiation reflected from and transmitted through the target and propagating in the same direction as the ion beam. Thus, the presented diagnostic constitutes a highly adaptable tool for accurately studying novel acceleration mechanisms in terms of their angular energy distribution, conversion efficiency, and plasma density evolution

  15. Diagnostics for studies of novel laser ion acceleration mechanisms

    OpenAIRE

    Senje, Lovisa; Yeung, Mark; Aurand, Bastian; Kuschel, Stephan; Rödel, Christian; Wagner, Florian; Li, Kun; Dromey, Brendan; Bagnoud, Vincent; Neumayer, Paul; Roth, Markus; Wahlström, Claes-Göran; Zepf, Matthew; Kuehl, Thomas; Jung, Daniel

    2014-01-01

    Diagnostic for investigating and distinguishing different laser ion acceleration mechanisms has been developed and successfully tested. An ion separation wide angle spectrometer can simultaneously investigate three important aspects of the laser plasma interaction: (1) acquire angularly resolved energy spectra for two ion species, (2) obtain ion energy spectra for multiple species, separated according to their charge to mass ratio, along selected axes, and (3) collect laser radiation reflecte...

  16. Mechanism of Metal Ion Activation of the Diphtheria Toxin Repressor DtxR

    Energy Technology Data Exchange (ETDEWEB)

    D' Aquino,J.; Tetenbaum-Novatt, J.; White, A.; Berkovitch, F.; Ringe, D.

    2005-01-01

    The diphtheria toxin repressor (DtxR) is a metal ion-activated transcriptional regulator that has been linked to the virulence of Corynebacterium diphtheriae. Structure determination has shown that there are two metal ion binding sites per repressor monomer, and site-directed mutagenesis has demonstrated that binding site 2 (primary) is essential for recognition of the target DNA repressor, leaving the role of binding site 1 (ancillary) unclear. Calorimetric techniques have demonstrated that although binding site 1 (ancillary) has high affinity for metal ion with a binding constant of 2 x 10{sup -7}, binding site 2 (primary) is a low-affinity binding site with a binding constant of 6.3 x 10{sup -4}. These two binding sites act in an independent fashion, and their contribution can be easily dissected by traditional mutational analysis. Our results clearly demonstrate that binding site 1 (ancillary) is the first one to be occupied during metal ion activation, playing a critical role in stabilization of the repressor. In addition, structural data obtained for the mutants Ni-DtxR(H79A, C102D), reported here, and the previously reported DtxR(H79A) have allowed us to propose a mechanism of metal activation for DtxR.

  17. A heating mechanism of ions due to large amplitude coherent ion acoustic wave

    International Nuclear Information System (INIS)

    Yajima, Nobuo; Kawai, Yoshinobu; Kogiso, Ken.

    1978-05-01

    Ion heating mechanism in a plasma with a coherent ion acoustic wave is studied experimentally and numerically. Ions are accelerated periodically in the electrostatic potential of the coherent wave and their oscillation energy is converted into the thermal energy of ions through the collision with the neutral atoms in plasma. The Monte Carlo calculation is applied to obtain the ion temperature. The amplitude of the electrostatic potential, the mean number of collisions and the mean life time of ions are treated as parameters in the calculation. The numerical results are compared with the experiments and both of them agree well. It is found that the ion temperature increases as the amplitude of the coherent wave increases and the high energy tail in the distribution function of ions are observed for the case of large wave-amplitude. (author)

  18. Physical mechanisms leading to high currents of highly charged ions in laser-driven ion sources

    International Nuclear Information System (INIS)

    Haseroth, Helmut; Hora, Heinrich; Regensburg Inst. of Tech.

    1996-01-01

    Heavy ion sources for the big accelerators, for example, the LHC, require considerably more ions per pulse during a short time than the best developed classical ion source, the electron cyclotron resonance (ECR) provides; thus an alternative ion source is needed. This can be expected from laser-produced plasmas, where dramatically new types of ion generation have been observed. Experiments with rather modest lasers have confirmed operation with one million pulses of 1 Hz, and 10 11 C 4+ ions per pulse reached 2 GeV/u in the Dubna synchrotron. We review here the complexities of laser-plasma interactions to underline the unique and extraordinary possibilities that the laser ion source offers. The complexities are elaborated with respect to keV and MeV ion generation, nonlinear (ponderomotive) forces, self-focusing, resonances and ''hot'' electrons, parametric instabilities, double-layer effects, and the few ps stochastic pulsation (stuttering). Recent experiments with the laser ion source have been analyzed to distinguish between the ps and ns interaction, and it was discovered that one mechanism of highly charged ion generation is the electron impact ionization (EII) mechanism, similar to the ECR, but with so much higher plasma densities that the required very large number of ions per pulse are produced. (author)

  19. Physical mechanisms leading to high currents of highly charged ions in laser-driven ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Haseroth, Helmut [European Organization for Nuclear Research, Geneva (Switzerland); Hora, Heinrich [New South Wales Univ., Kensington, NSW (Australia)]|[Regensburg Inst. of Tech. (Germany). Anwenderzentrum

    1996-12-31

    Heavy ion sources for the big accelerators, for example, the LHC, require considerably more ions per pulse during a short time than the best developed classical ion source, the electron cyclotron resonance (ECR) provides; thus an alternative ion source is needed. This can be expected from laser-produced plasmas, where dramatically new types of ion generation have been observed. Experiments with rather modest lasers have confirmed operation with one million pulses of 1 Hz, and 10{sup 11} C{sup 4+} ions per pulse reached 2 GeV/u in the Dubna synchrotron. We review here the complexities of laser-plasma interactions to underline the unique and extraordinary possibilities that the laser ion source offers. The complexities are elaborated with respect to keV and MeV ion generation, nonlinear (ponderomotive) forces, self-focusing, resonances and ``hot`` electrons, parametric instabilities, double-layer effects, and the few ps stochastic pulsation (stuttering). Recent experiments with the laser ion source have been analyzed to distinguish between the ps and ns interaction, and it was discovered that one mechanism of highly charged ion generation is the electron impact ionization (EII) mechanism, similar to the ECR, but with so much higher plasma densities that the required very large number of ions per pulse are produced. (author).

  20. Mechanisms of elastic wave generation in solids by ion impact

    International Nuclear Information System (INIS)

    Deemer, B.; Murphy, J.; Claytor, T.

    1990-01-01

    This study is directed at understanding the mechanisms of acoustic signal generation by modulated beams of energetic ions as a function of ion energy. Interaction of ions with solids initiates a range of processes including sputtering, ion implantation, ionization, both internal and external, as well as thermal deposition in the solid. Accumulated internal stress also occurs by generation of dislocations resulting from, inelastic nuclear scattering of the incident ion beam. With respect to elastic wave generation, two potential mechanisms are thermoelastic induced stress and momentum transfer. The latter process includes contributions of momentum transfer from the incident beam and from ions ejected via sputtering. Other aspects of the generation process include the potential for shock wave generation since the mean particle velocity for a wide range of ion energies exceeds the velocity of sound in solids. This study seeks to distinguish the contribution of these mechanisms by studying the signature, angular distribution and energy dependence of the elastic wave response in the time domain and to use this information to understand technologically important processes such as implantation and sputtering

  1. Ion Selectivity Mechanism in a Bacterial Pentameric Ligand-Gated Ion Channel

    International Nuclear Information System (INIS)

    Wang, Hailong; Cheng, Xiaolin

    2011-01-01

    The proton-gated ion channel from Gloeobacter violaceus (GLIC) is a prokaryotic homolog of the eukaryotic nicotinic acetylcholine receptor (nAChR) that responds to the binding of neurotransmitter acetylcholine and mediates fast signal transmission. Recent emergence of a high resolution crystal structure of GLIC captured in a potentially open state allowed detailed, atomic-level insight into ion conduction and selectivity mechanisms in these channels. Herein, we have examined the barriers to ion conduction and origins of ion selectivity in the GLIC channel by the construction of potential of mean force (PMF) profiles for sodium and chloride ions inside the transmembrane region. Our calculations reveal that the GLIC channel is open for a sodium ion to transport, but presents a ∼10 kcal/mol free energy barrier for a chloride ion, which arises primarily from the unfavorable interactions with a ring of negatively charged glutamate residues (E-2) at the intracellular end and a ring of hydrophobic residues (I9) in the middle of the transmembrane domain. Our collective findings further suggest that the charge selection mechanism can, to a large extent, be attributed to the narrow intracellular end and a ring of glutamate residues in this position their strong negative electrostatics and ability to bind cations. By contrast, E19 at the extracellular entrance only plays a minor role in ion selectivity of GLIC. In addition to electrostatics, both ion hydration and protein dynamics are found to be crucial for ion conduction as well, which explains why a chloride ion experiences a much greater barrier than a sodium ion in the hydrophobic region of the pore.

  2. Two mechanisms of oral malodor inhibition by zinc ions.

    Science.gov (United States)

    Suzuki, Nao; Nakano, Yoshio; Watanabe, Takeshi; Yoneda, Masahiro; Hirofuji, Takao; Hanioka, Takashi

    2018-01-18

    The aim of this study was to reveal the mechanisms by which zinc ions inhibit oral malodor. The direct binding of zinc ions to gaseous hydrogen sulfide (H2S) was assessed in comparison with other metal ions. Nine metal chlorides and six metal acetates were examined. To understand the strength of H2S volatilization inhibition, the minimum concentration needed to inhibit H2S volatilization was determined using serial dilution methods. Subsequently, the inhibitory activities of zinc ions on the growth of six oral bacterial strains related to volatile sulfur compound (VSC) production and three strains not related to VSC production were evaluated. Aqueous solutions of ZnCl2, CdCl2, CuCl2, (CH3COO)2Zn, (CH3COO)2Cd, (CH3COO)2Cu, and CH3COOAg inhibited H2S volatilization almost entirely. The strengths of H2S volatilization inhibition were in the order Ag+ > Cd2+ > Cu2+ > Zn2+. The effect of zinc ions on the growth of oral bacteria was strain-dependent. Fusobacterium nucleatum ATCC 25586 was the most sensitive, as it was suppressed by medium containing 0.001% zinc ions. Zinc ions have an inhibitory effect on oral malodor involving the two mechanisms of direct binding with gaseous H2S and suppressing the growth of VSC-producing oral bacteria.

  3. Quantized conductance in atom-sized wires between two metals

    DEFF Research Database (Denmark)

    Brandbyge, Mads; Schiøtz, Jakob; Sørensen, Mads Reinholdt

    1995-01-01

    We present experimental and theoretical results for the conductance and mechanical properties of atom-sized wires between two metals. The experimental part is based on measurements with a scanning tunneling microscope (STM) where a point contact is created by indenting the tip into a gold surface...... is the origin of the scatter in the experimental data, and what is the origin of the scaling of the scattering with the number of conductance quanta? The theoretical discussion is based on a free-electron-like model where scattering from the boundary of the nanowire is included. The configurations...... of the nanowires are deduced from molecular dynamics simulations, which also give information about the mechanical properties of the system. We show that such a model can account semiquantitatively for several of the observed effects. One of the main conclusions of the theoretical analysis is that,; due...

  4. Ecton mechanism of ion flow generation in vacuum arc

    CERN Document Server

    Mesyats, G A

    2001-01-01

    The basic characteristics of cathode plasma generation in vacuum arc (ion erosion, ion average charge) were studied from the point of an ecton model of a cathode spot in vacuum arc. The estimates of ion parameters obtained for a single cell of a cathode spot show qualitative conformity with the experimental data. One introduces the following mechanism of cathode plasma generation in vacuum arc. In case of explosion-like destruction of a cathode segment under the effect of the Joule heating the cathode matter changes sequentially its state: condensed one, nonideal and ideal plasma ones. During this change one observes formation of plasma charge composition and ion acceleration under the effect of plasma pressure gradient

  5. Ion transport restriction in mechanically strained separator membranes

    Science.gov (United States)

    Cannarella, John; Arnold, Craig B.

    2013-03-01

    We use AC impedance methods to investigate the effect of mechanical deformation on ion transport in commercial separator membranes and lithium-ion cells as a whole. A Bruggeman type power law relationship is found to provide an accurate correlation between porosity and tortuosity of deformed separators, which allows the impedance of a separator membrane to be predicted as a function of deformation. By using mechanical compression to vary the porosity of the separator membranes during impedance measurements it is possible to determine both the α and γ parameters from the modified Bruggeman relation for individual separator membranes. From impedance testing of compressed pouch cells it is found that separator deformation accounts for the majority of the transport restrictions arising from compressive stress in a lithium-ion cell. Finally, a charge state dependent increase in the impedance associated with charge transfer is observed with increasing cell compression.

  6. Sputtering mechanisms of polycrystalline platinum by low energy ions

    International Nuclear Information System (INIS)

    Chernysh, V.S.; Eckstein, W.; Haidarov, A.A.; Kulikauskas, V.S.; Mashkova, E.S.; Molchanov, V.A.

    1999-01-01

    The results of an experimental study and a computer simulation with the TRIM.SP code of the angular distributions of atoms sputtered from polycrystalline platinum under 1.5-9 keV He + bombardment at the normal ion incidence are presented. It has been found that angular distributions of sputtered atoms are overcosine and that their shape is practically independent of the bombarding ion species and ion energy. Good agreement between experimental results and computer simulation data was found. Computer simulations of the partial angular distributions of Pt atoms ejected due to various sputtering mechanisms for He and Ar bombardments were performed. The role of different mechanisms in the formation of angular distributions of sputtered atoms has been analyzed

  7. Yeast enolase: mechanism of activation by metal ions.

    Science.gov (United States)

    Brewer, J M

    1981-01-01

    Yeast enolase as prepared by current procedures is inherently chemically homogeneous, though deamidation and partial denaturation can produce electrophoretically distinct forms. A true isozyme of the enzyme exists but does not survive the purification procedure. The chemical sequence for both has been established. The enzyme behaves in solution like a compact, nearly spherical molecule of moderate hydration. Strong intramolecular forces maintain the structure of the individual subunits. The enzyme as isolated is dimeric. If dissociated in the presence of magnesium ions and substrate, then the subunits are active, but if the dissociation occurs in the absence of metal ions, they are inactive until they have reassociated and undergone a first order "annealing" process. Magnesium (II) enhances association. The interaction between the subunits is hydrophobic in character. The enzyme can bind up to 2 mol of most metal ions in "conformational" sites which then allows up to 2 mol of substrate or some substrate analogue to bind. This is not sufficient for catalysis, but conformational metal ions do more than just allow substrate binding. A change in the environment of the metal ions occurs on substrate or substrate analogue binding. There is an absolute correlation between the occurrence of a structural change undergone by the 3-amino analogue of phosphoenolpyruvate and whether the metal ions produce any level of enzymatic activity. For catalysis, two more moles of metal ions, called "catalytic", must bind. There is evidence that the enzymatic reaction involves a carbanion mechanism. It is likely that two more moles of metal ion can bind which inhibit the reaction. The requirement for 2 mol of metal ion per subunit which contribute in different ways to catalysis is exhibited by a number of other enzymes.

  8. Development of Mechanical Improvement of the Cladding by Ion Implantation

    Energy Technology Data Exchange (ETDEWEB)

    Han, J G; Lee, S B [Sungkyunkwan University, Seoul (Korea, Republic of); Kim, S H [Kangwon University, Chunchon (Korea, Republic of); Song, G [Suwon College, Suwon (Korea, Republic of)

    1997-07-01

    In this research we analyzed the state of art related to the surface treatment method of nuclear fuel cladding for the development of the surface treatment technique of nuclear fuel cladding by ion beam while investigating major causes of the leakage of fuel rods. Ion implantation simulation code called TRIM-95 was used to decide basic parameters ion beams and wetup an appropriate process for ion implantation. For the mechanical properties measurements, a high temperature wear resistance tester, a fretting wear tester, and a fretting fatigue resistance tester were constructed. Using these testers, some mechanical properties as micro hardness, wear resistance against AISI52100 and AI{sub 2}O{sub 3} balls, and fretting properties were measured and analyzed for the implanted materials as a function of ion dose and processing temperature. Effect of the oxygen atmosphere was measured in the nitrogen implantation. Auger electron spectroscopy(AES) was applied for the depth profile, and X-ray diffraction was used for the nitrogen and oxide measurements. 48 refs., 7 tabs., 46 figs. (author)

  9. The statistical mechanics of vortex-acoustic ion wave turbulence

    International Nuclear Information System (INIS)

    Giles, M.J.

    1980-01-01

    The equilibrium statistical mechanics of electrostatic ion wave turbulence is studied within the framework of a continuum ion flow with adiabatic electrons. The wave field consists in general of two components, namely ion-acoustic and ion vortex modes. It is shown that the latter can significantly affect the equilibria on account of their ability both to emit and to scatter ion sound. Exact equilibria for the vortex-acoustic wave field are given in terms of a canonical distribution and the correlation functions are expressed in terms of a generating functional. Detailed calculations are carried out for the case in which the dominant coupling is an indirect interaction of the vortex modes mediated by the sound field. An equation for the spectrum of the vortex modes is obtained for this case, which is shown to possess a simple exact solution. This solution shows that the spectrum of fluctuations changes considerably as the total energy increases. Condensed vortex states could occur in the plasma sheet of the earth's magnetosphere and it is shown that the predicted ratio of the mean ion energy to the mean electron energy is consistent with the trend of observed values. (author)

  10. Study of the negative ion extraction mechanism from a double-ion plasma in negative ion sources

    International Nuclear Information System (INIS)

    Goto, I.; Nishioka, S.; Hatayama, A.; Miyamoto, K.

    2015-01-01

    We have developed a 2D3V-PIC model of the extraction region, aiming to clarify the basic extraction mechanism of H − ions from the double-ion plasma in H − negative ion sources. The result shows the same tendency of the H − ion density n H − as that observed in the experiments, i.e.,n H − in the upstream region away from the plasma meniscus (H − emitting surface) has been reduced by applying the extraction voltage. At the same time, relatively slow temporal oscillation of the electric potential compared with the electron plasma frequency has been observed in the extraction region. Results of the systematic study using a 1D3V-PIC model with the uniform magnetic field confirm the result that the electrostatic oscillation is identified to be lower hybrid wave. The effect of this oscillation on the H − transport will be studied in the future

  11. Ion Channels and Zinc: Mechanisms of Neurotoxicity and Neurodegeneration

    Directory of Open Access Journals (Sweden)

    Deborah R. Morris

    2012-01-01

    Full Text Available Ionotropic glutamate receptors, such as NMDA, AMPA and kainate receptors, are ligand-gated ion channels that mediate much of the excitatory neurotransmission in the brain. Not only do these receptors bind glutamate, but they are also regulated by and facilitate the postsynaptic uptake of the trace metal zinc. This paper discusses the role of the excitotoxic influx and accumulation of zinc, the mechanisms responsible for its cytotoxicity, and a number of disorders of the central nervous system that have been linked to these neuronal ion channels and zinc toxicity including ischemic brain injury, traumatic brain injury, and epilepsy.

  12. Coupled Mechanical and Electrochemical Phenomena in Lithium-Ion Batteries

    Science.gov (United States)

    Cannarella, John

    Lithium-ion batteries are complee electro-chemo-mechanical systems owing to a number of coupled mechanical and electrochemical phenomena that occur during operation. In this thesis we explore these phenomena in the context of battery degradation, monitoring/diagnostics, and their application to novel energy systems. We begin by establishing the importance of bulk stress in lithium-ion batteries through the presentation of a two-year exploratory aging study which shows that bulk mechanical stress can significantly accelerate capacity fade. We then investigate the origins of this coupling between stress and performance by investigating the effects of stress in idealized systems. Mechanical stress is found to increase internal battery resistance through separator deformation, which we model by considering how deformation affects certain transport properties. When this deformation occurs in a spatially heterogeneous manner, local hot spots form, which accelerate aging and in some cases lead to local lithium plating. Because of the importance of separator deformation with respect to mechanically-coupled aging, we characterize the mechanical properties of battery separators in detail. We also demonstrate that the stress state of a lithium-ion battery cell can be used to measure the cell's state of health (SOH) and state of charge (SOC)--important operating parameters that are traditionally difficult to measure outside of a laboratory setting. The SOH is shown to be related to irreversible expansion that occurs with degradation and the SOC to the reversible strains characteristic of the cell's electrode materials. The expansion characteristics and mechanical properties of the constituent cell materials are characterized, and a phenomenological model for the relationship between stress and SOH/SOC is developed. This work forms the basis for the development of on-board monitoring of SOH/SOC based on mechanical measurements. Finally we study the coupling between mechanical

  13. Mechanically Gated Ion Channels in Mammalian Hair Cells

    Directory of Open Access Journals (Sweden)

    Xufeng Qiu

    2018-04-01

    Full Text Available Hair cells in the inner ear convert mechanical stimuli provided by sound waves and head movements into electrical signal. Several mechanically evoked ionic currents with different properties have been recorded in hair cells. The search for the proteins that form the underlying ion channels is still in progress. The mechanoelectrical transduction (MET channel near the tips of stereociliary in hair cells, which is responsible for sensory transduction, has been studied most extensively. Several components of the sensory mechanotransduction machinery in stereocilia have been identified, including the multi-transmembrane proteins tetraspan membrane protein in hair cell stereocilia (TMHS/LHFPL5, transmembrane inner ear (TMIE and transmembrane channel-like proteins 1 and 2 (TMC1/2. However, there remains considerable uncertainty regarding the molecules that form the channel pore. In addition to the sensory MET channel, hair cells express the mechanically gated ion channel PIEZO2, which is localized near the base of stereocilia and not essential for sensory transduction. The function of PIEZO2 in hair cells is not entirely clear but it might have a role in damage sensing and repair processes. Additional stretch-activated channels of unknown molecular identity and function have been found to localize at the basolateral membrane of hair cells. Here, we review current knowledge regarding the different mechanically gated ion channels in hair cells and discuss open questions concerning their molecular composition and function.

  14. Mechanical and tribological properties of ion beam-processed surfaces

    International Nuclear Information System (INIS)

    Kodali, P.

    1998-01-01

    The intent of this work was to broaden the applications of well-established surface modification techniques and to elucidate the various wear mechanisms that occur in sliding contact of ion-beam processed surfaces. The investigation included characterization and evaluation of coatings and modified surfaces synthesized by three surface engineering methods; namely, beam-line ion implantation, plasma-source ion implantation, and DC magnetron sputtering. Correlation among measured properties such as surface hardness, fracture toughness, and wear behavior was also examined. This dissertation focused on the following areas of research: (1) investigating the mechanical and tribological properties of mixed implantation of carbon and nitrogen into single crystal silicon by beam-line implantation; (2) characterizing the mechanical and tribological properties of diamond-like carbon (DLC) coatings processed by plasma source ion implantation; and (3) developing and evaluating metastable boron-carbon-nitrogen (BCN) compound coatings for mechanical and tribological properties. The surface hardness of a mixed carbon-nitrogen implant sample improved significantly compared to the unimplanted sample. However, the enhancement in the wear factor of this sample was found to be less significant than carbon-implanted samples. The presence of nitrogen might be responsible for the degraded wear behavior since nitrogen-implantation alone resulted in no improvement in the wear factor. DLC coatings have low friction, low wear factor, and high hardness. The fracture toughness of DLC coatings has been estimated for the first time. The wear mechanism in DLC coatings investigated with a ruby slider under a contact stress of 1 GPa was determined to be plastic deformation. The preliminary data on metastable BCN compound coatings indicated high friction, low wear factor, and high hardness

  15. Single trapped cold ions: a testing ground for quantum mechanics

    International Nuclear Information System (INIS)

    Maniscalco, S

    2005-01-01

    In this article I review some results obtained during my PhD work in the group of Professor Messina, at the University of Palermo. I discuss some proposals aimed at exploring fundamental issues of quantum theory, e.g. entanglement and quantum superpositions, in the context of single trapped ions. This physical context turns out to be extremely well suited both for studying fundamental features of quantum mechanics, such as the quantum-classical border, and for technological applications such as quantum logic gates and quantum registers. I focus on some procedures for engineering nonclassical states of the vibrational motion of the centre of mass of the ion. I consider both the case in which the ion interacts with classical laser beams and the case of interaction with a quantized mode of light. In particular, I discuss the generation of Schroedinger cat-like states, Bell states and Greenberger-Horn-Zeilinger states. The schemes for generating nonclassical states stem from two different quantum processes: the parity effect and the quantum state manipulation via quantum non-demolition measurement. Finally, I consider a microscopic theory of the interaction of a quantum harmonic oscillator (the centre of mass of the ion in the trapped ion context) with a bosonic thermal environment. Using an exact approach to the dynamics, I discuss a quantum theory of heating of trapped ions able to describe both the short time non-Markovian regime and the thermalization process. I conclude showing briefly how the trapped ion systems can be used as simulators of key models of open quantum systems such as the Caldeira-Leggett model. (phd tutorial)

  16. Thermo-mechanical design aspects of mercury bombardment ion thrusters.

    Science.gov (United States)

    Schnelker, D. E.; Kami, S.

    1972-01-01

    The mechanical design criteria are presented as background considerations for solving problems associated with the thermomechanical design of mercury ion bombardment thrusters. Various analytical procedures are used to aid in the development of thruster subassemblies and components in the fields of heat transfer, vibration, and stress analysis. Examples of these techniques which provide computer solutions to predict and control stress levels encountered during launch and operation of thruster systems are discussed. Computer models of specific examples are presented.

  17. Global versus local mechanisms of temperature sensing in ion channels.

    Science.gov (United States)

    Arrigoni, Cristina; Minor, Daniel L

    2018-05-01

    Ion channels turn diverse types of inputs, ranging from neurotransmitters to physical forces, into electrical signals. Channel responses to ligands generally rely on binding to discrete sensor domains that are coupled to the portion of the channel responsible for ion permeation. By contrast, sensing physical cues such as voltage, pressure, and temperature arises from more varied mechanisms. Voltage is commonly sensed by a local, domain-based strategy, whereas the predominant paradigm for pressure sensing employs a global response in channel structure to membrane tension changes. Temperature sensing has been the most challenging response to understand and whether discrete sensor domains exist for pressure and temperature has been the subject of much investigation and debate. Recent exciting advances have uncovered discrete sensor modules for pressure and temperature in force-sensitive and thermal-sensitive ion channels, respectively. In particular, characterization of bacterial voltage-gated sodium channel (BacNa V ) thermal responses has identified a coiled-coil thermosensor that controls channel function through a temperature-dependent unfolding event. This coiled-coil thermosensor blueprint recurs in other temperature sensitive ion channels and thermosensitive proteins. Together with the identification of ion channel pressure sensing domains, these examples demonstrate that "local" domain-based solutions for sensing force and temperature exist and highlight the diversity of both global and local strategies that channels use to sense physical inputs. The modular nature of these newly discovered physical signal sensors provides opportunities to engineer novel pressure-sensitive and thermosensitive proteins and raises new questions about how such modular sensors may have evolved and empowered ion channel pores with new sensibilities.

  18. On novel mechanisms of slow ion induced electron emission

    International Nuclear Information System (INIS)

    Eder, H.

    2000-09-01

    The present work has contributed in new ways to the field of slow ion induced electron emission. First, measurements of the total electron yield γ for impact of slow singly and multiply charged ions on atomically clean polycrystalline gold and graphite have been made. The respective yields were determined by current measurements and measurements of the electron number statistics. A new mechanism for kinetic emission (KE) below the so called 'classical threshold' was found and discussed. For a given ion species and impact velocity a slight decrease of the yields was found for ion charge state q = 1 toward 3, but no significant differences in KE yields for higher q values. Comparison of the results from gold and graphite showed overall similar behavior, but for C+ a relatively strong difference was observed and ascribed to more effective electron promotion in the C-C- than in the C-Au system. Secondly, for the very specific system H0 on LiF we investigated single electron excitation processes under grazing incidence conditions. In this way long-range interactions of hydrogen atoms with the ionic crystal surface could be probed. Position- and velocity-dependent electron production rates were found which indicate that an electron promotion mechanism is responsible for the observed electron emission. Thirdly, in order to investigate the importance of plasmon excitation and -decay in slow ion induced electron emission, measurements of electron energy distributions from impact of singly and doubly charged ions on poly- and monocrystalline aluminum surfaces were performed. From the results we conclude that direct plasmon excitation by slow ions occurs due to the potential energy of the projectile in a quasi-resonant fashion. The highest relative plasmon intensities were found for impact of 5 keV Ne+ on Al(111) with 5 % of the total yield. For impact of H + and H 2 + characteristical differences were observed for Al(111) and polycrystalline aluminum. We show that

  19. Reaction mechanism in high energy heavy-ion collisions

    International Nuclear Information System (INIS)

    Tanihata, Isao.

    1982-04-01

    The reaction mechanism in high energy heavy-ion collision is discussed. The discussion is mainly based on the experimental data. Empirical equations have been given for the total cross-sections of nucleus-nucleus reactions and the reaction cross-sections. These cross-sections are well described by the geometrical size of the colliding nuclei. The cross-sections are also understood by microscopic calculation. The charged particle multiplicity gives additional information about the geometrical aspect of heavy ion collision. The data suggested that the total energy, independent of projectile size, is most important for determining the multiplicity. The inclusive proton spectrum in a heavy ion collision showed two distinct regions. The one is the fragment region, and the other the participant region. The spectral shapes of inclusive pion spectra are reasonably well explained by the Coulomb interaction of pions with nuclear fragments. The high energy heavy ion reaction occurs in the overlap region of the projectile and target. This has been tested by measuring the number of participants for various reactions. The space and the time structure of the collision are also discussed in this paper as well as the dynamical aspects of the collision. (Kato, T.)

  20. Ion Permeation and Mechanotransduction Mechanisms of Mechanosensitive Piezo Channels.

    Science.gov (United States)

    Zhao, Qiancheng; Wu, Kun; Geng, Jie; Chi, Shaopeng; Wang, Yanfeng; Zhi, Peng; Zhang, Mingmin; Xiao, Bailong

    2016-03-16

    Piezo proteins have been proposed as the long-sought-after mechanosensitive cation channels in mammals that play critical roles in various mechanotransduction processes. However, the molecular bases that underlie their ion permeation and mechanotransduction have remained functionally undefined. Here we report our finding of the miniature pore-forming module of Piezo1 that resembles the pore architecture of other trimeric channels and encodes the essential pore properties. We further identified specific residues within the pore module that determine unitary conductance, pore blockage and ion selectivity for divalent and monovalent cations and anions. The non-pore-containing region of Piezo1 confers mechanosensitivity to mechano-insensitive trimeric acid-sensing ion channels, demonstrating that Piezo1 channels possess intrinsic mechanotransduction modules separate from their pore modules. In conclusion, this is the first report on the bona fide pore module and mechanotransduction components of Piezo channels, which define their ion-conducting properties and gating by mechanical stimuli, respectively. Copyright © 2016 Elsevier Inc. All rights reserved.

  1. Nano mechanical properties of carbon films modified by ion radiation

    International Nuclear Information System (INIS)

    Foerster, C.E.; Serbena, F.C.; Lepienski, C.M.; Odo, G.Y.; Zawislak, F.C.; Lopes, J.M.J.; Baptista, D.L.; Garcia, I.T.S.

    2000-01-01

    In present work it is measured hardness, Young modulus and friction coefficient values for different types of carbon films. These films were submitted to different ion bombardment conditions (energy and fluencies). The mechanical behavior was obtained by nano indentation technique and analyzed by the Oliver/Pharr method. For friction coefficient determination the nano scratch procedure is used. Pristine C 60 films (fullerenes) has a hardness of 0.33 GPa. After irradiation with different ions (He, N and Bi), the hardness raise to about 14 GPa and the Young modulus change from 20 to about 200 GPa. For photoresist film AZ-1350J irradiation with Ar and He change the hardness from 0.4 to about 14 GPa and the Young modulus raise from 4 to 80 GPa. In a-C-H the hardness change from 3.5 to 11 GPa when submitted to N irradiation. In PPA films the hardness value raise from 0.5 to 11 GPa after irradiation with Ar. These mechanical and tribological results were analyzed in terms of deposited energy by the ion irradiation and compared with those presented in the literature. (author)

  2. New Ion-Nucleation Mechanism Relevant for the Earth's Atmosphere

    DEFF Research Database (Denmark)

    Marsh, N.D.; Svensmark, Henrik; Pedersen, Jens Olaf Pepke

    Experimental studies of ultra-fine aerosol nucleation in clean atmospheric air, containing trace amounts of ozone, sulphur dioxide, and water vapour suggest that the production rate of critical clusters is sensitive to ionisation. To assess this sensitivity numerical simulations of the initial...... stages of particle coagulation and condensation have been performed and compared with the experimental results. The simulations indicate that a stable distribution of sub 3nm particles exists that cannot be detected using standard techniques for measuring atmospheric aerosol, and that the nucleation rate...... of critical clusters generating this distribution is a function of the number of ions present. This provides a set of boundary conditions, which constrain the properties of a possible microphysical mechanism. The role of ions in the nucleation process of critical clusters provides a source for new aerosol...

  3. Mechanisms of Stochastic Diffusion of Energetic Ions in Spherical Tori

    Energy Technology Data Exchange (ETDEWEB)

    Ya.I. Kolesnichenko; R.B. White; Yu.V. Yakovenko

    2001-01-18

    Stochastic diffusion of the energetic ions in spherical tori is considered. The following issues are addressed: (I) Goldston-White-Boozer diffusion in a rippled field; (ii) cyclotron-resonance-induced diffusion caused by the ripple; (iii) effects of non-conservation of the magnetic moment in an axisymmetric field. It is found that the stochastic diffusion in spherical tori with a weak magnetic field has a number of peculiarities in comparison with conventional tokamaks; in particular, it is characterized by an increased role of mechanisms associated with non-conservation of the particle magnetic moment. It is concluded that in current experiments on National Spherical Torus eXperiment (NSTX) the stochastic diffusion does not have a considerable influence on the confinement of energetic ions.

  4. Nucleation mechanisms in high energy ion beam induced dewetting

    Energy Technology Data Exchange (ETDEWEB)

    Haag, Michael; Garmatter, Daniel; Ferhati, Redi; Amirthapandian, Sankarakumar; Bolse, Wolfgang [Institut fuer Halbleiteroptik und Funktionelle Grenzflaechen, Universitaet Stuttgart (Germany)

    2011-07-01

    Solid coatings, when heated above their melting points, often break up by forming small round holes, which then grow, coalesce and finally turn the initially contiguous film into a pattern of isolated droplets. Such dewetting has been intensively studied using thin polymer films on Si. Three different hole nucleation mechanisms were discovered: homogeneous (spontaneous) nucleation, heterogeneous nucleation at defects, and spinodal dewetting by self-amplifying capillary waves. We have recently found that swift heavy ion (SHI) irradiation of thin oxide films on Si results in similar dewetting patterns, even though the films were kept far below their melting points. Using our new in-situ SEM at the UNILAC accelerator of GSI, we were now able to identify the mechanisms behind this SHI induced dewetting phenomenon. By varying the film thickness and introducing defects at the interface, we can directly address the hole nucleation processes. Besides homogeneous and heterogeneous nucleation, we also found a process, which very much resembles the spinodal mechanism found for liquid polymers, although in the present case the instable wavy surface is not generated by capillary waves, but by ion beam induced stresses.

  5. On the mechanism of ion exchange in zirconium phosphates

    International Nuclear Information System (INIS)

    Kullberg, L.; Clearfield, A.

    1981-01-01

    An equilibrium study of the Na + -Cs + -H + exchange on crystalline α-zirconium phosphate has been carried out. Isotherms for the ion exchange have been determined and phases formed during the exchange have been identified. The surface groups of the exchanger were found to greatly prefer cesium to sodium. For exchange in the interior, cesium was found to be preferred to sodium for 0 to 50% of exchange, while sodium is slightly preferred to cesium for the second half of exchange. The influence of surface equilibria on the total exchange mechanism is discussed. (author)

  6. Study of the negative ion extraction mechanism from a double-ion plasma in negative ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Goto, I.; Nishioka, S.; Hatayama, A. [Graduate school of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan); Miyamoto, K. [Naruto University of Education, 748 Nakashima, Takashima, Naruto-cho, Naruto-shi, Tokushima 772-8502 (Japan)

    2015-04-08

    We have developed a 2D3V-PIC model of the extraction region, aiming to clarify the basic extraction mechanism of H{sup −} ions from the double-ion plasma in H{sup −} negative ion sources. The result shows the same tendency of the H{sup −} ion density n{sub H{sup −}} as that observed in the experiments, i.e.,n{sub H{sup −}} in the upstream region away from the plasma meniscus (H{sup −} emitting surface) has been reduced by applying the extraction voltage. At the same time, relatively slow temporal oscillation of the electric potential compared with the electron plasma frequency has been observed in the extraction region. Results of the systematic study using a 1D3V-PIC model with the uniform magnetic field confirm the result that the electrostatic oscillation is identified to be lower hybrid wave. The effect of this oscillation on the H{sup −} transport will be studied in the future.

  7. The Function of the Novel Mechanical Activated Ion Channel Piezo1 in the Human Osteosarcoma Cells

    OpenAIRE

    Jiang, Long; Zhao, Yi-ding; Chen, Wei-xiang

    2017-01-01

    Background The Piezo1 protein ion channel is a novel mechanical activated ion channel which is related to mechanical signal transduction. However, the function of the mechanically activated ion channel Piezo1 had not been explored. In this study, we explored the function of the Piezo1 ion channel in human osteosarcoma (OS) cells related to apoptosis, invasion, and the cell proliferation. Material/Methods Reverse transcription polymerase chain reaction (RT-PCR) and western-blotting were used t...

  8. Ion-Exchange Processes and Mechanisms in Glasses

    International Nuclear Information System (INIS)

    McGrail, B.P.; Icenhower, J.P.; Darab, J.G.; Shuh, D.K.; Baer, D.R.; Shutthanandan, V.; Thevuthasan, S.; Engelhard, M.H.; Steele, J.L.; Rodriguez, E.A.; Liu, P.; Ivanov, K.E.; Booth, C.H.; Nachimuthu, P.

    2001-01-01

    Leaching of alkalis from glass is widely recognized as an important mechanism in the initial stages of glass-water interactions. Pioneering experimental studies [1-3] nearly thirty-five years ago established that alkali (designated as M + ) are lost to solution more rapidly than network-forming cations. The overall chemical reaction describing the process can be written as: (triple b ond)Si-O-M + H + → (triple b ond)Si-OH + M + (1) or (triple b ond)Si-O-M + H 3 O + → (triple b ond)Si-OH + M + + H 2 O. (2) Doremus and coworkers [4-7] fashioned a quantitative model where M + ions in the glass are exchanged for counter-diffusing H 3 O + or H + . Subsequent investigations [8], which have relied heavily on reaction layer analysis, recognized the role of H 2 O molecules in the alkali-exchange process, without minimizing the importance of charged hydrogen species. Beginning in the 1980s, however, interest in M + -H + exchange reactions in silicate glasses diminished considerably because important experimental observations showed that network hydrolysis and dissolution rates were principally controlled by the chemical potential difference between the glass and solution (chemical affinity) [9]. For nuclear waste glasses, formation of alteration products or secondary phases that remove important elements from solution, particularly Si, was found to have very large impacts on glass dissolution rates [10,11]. Consequently, recent work on glass/water interactions has focused on understanding this process and incorporating it into models [12]. The ion-exchange process has been largely ignored because it has been thought to be a short duration, secondary or tertiary process that had little or no bearing on long-term corrosion or radionuclide release rates from glasses [13]. The only significant effect identified in the literature that is attributed to alkali ion exchange is an increase in solution pH in static laboratory tests conducted at high surface area-to-volume ratios

  9. Particle-production mechanism in relativistic heavy-ion collisions

    International Nuclear Information System (INIS)

    Bush, B.W.; Nix, J.R.

    1994-01-01

    We discuss the production of particles in relativistic heavy-ion collisions through the mechanism of massive bremsstrahlung, in which massive mesons are emitted during rapid nucleon acceleration. This mechanism is described within the framework of classical hadrodynamics for extended nucleons, corresponding to nucleons of finite size interacting with massive meson fields. This new theory provides a natural covariant microscopic approach to relativistic heavy-ion collisions that includes automatically spacetime nonlocality and retardation, nonequilibrium phenomena, interactions among all nucleons, and particle production. Inclusion of the finite nucleon size cures the difficulties with preacceleration and runaway solutions that have plagued the classical theory of self-interacting point particles. For the soft reactions that dominate nucleon-nucleon collisions, a significant fraction of the incident center-of-mass energy is radiated through massive bremsstrahlung. In the present version of the theory, this radiated energy is in the form of neutral scalar (σ) and neutral vector (ω) mesons, which subsequently decay primarily into pions with some photons also. Additional meson fields that are known to be important from nucleon-nucleon scattering experiments should be incorporated in the future, in which case the radiated energy would also contain isovector pseudoscalar (π + , π - , π 0 ), isovector scalar (δ + , δ - , δ 0 ), isovector vector (ρ + , ρ - , ρ 0 ), and neutral pseudoscalar (η) mesons

  10. Mechanisms of ion-bombardment-induced DNA transfer into bacterial E. coli cells

    Energy Technology Data Exchange (ETDEWEB)

    Yu, L.D., E-mail: yuld@thep-center.org [Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand); Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Sangwijit, K. [Molecular Biology Laboratory, Department of Biology, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Prakrajang, K. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Faculty of Science, Maejo University, Chiang Mai 50290 (Thailand); Phanchaisri, B. [Institute of Science and Technology Research, Chiang Mai University, Chiang Mai 50200 (Thailand); Thongkumkoon, P. [Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand); Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thopan, P. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Singkarat, S. [Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand); Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Anuntalabhochai, S. [Molecular Biology Laboratory, Department of Biology, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2014-05-01

    Highlights: • Ion bombardment could induce DNA transfer into E. coli cells. • The DNA transfer induction depended on ion energy and fluence. • The mechanism was associated with the bacterial cell envelope structure. • A mechanism phase diagram was proposed to summarize the mechanism. - Abstract: As a useful ion beam biotechnology, ion-bombardment-induced DNA transfer into bacterial Escherichia coli (E. coli) cells has been successfully operated using argon ions. In the process ion bombardment of the bacterial cells modifies the cell envelope materials to favor the exogenous DNA molecules to pass through the envelope to enter the cell. The occurrence of the DNA transfer induction was found ion energy and fluence dependent in a complex manner. At ion energy of a few keV and a few tens of keV to moderate fluences the DNA transfer could be induced by ion bombardment of the bacterial cells, while at the same ion energy but to high fluences DNA transfer could not be induced. On the other hand, when the ion energy was medium, about 10–20 keV, the DNA transfer could not be induced by ion bombardment of the cells. The complexity of the experimental results indicated a complex mechanism which should be related to the complex structure of the bacterial E. coli cell envelope. A phase diagram was proposed to interpret different mechanisms involved as functions of the ion energy and fluence.

  11. Mechanisms of ion-bombardment-induced DNA transfer into bacterial E. coli cells

    International Nuclear Information System (INIS)

    Yu, L.D.; Sangwijit, K.; Prakrajang, K.; Phanchaisri, B.; Thongkumkoon, P.; Thopan, P.; Singkarat, S.; Anuntalabhochai, S.

    2014-01-01

    Highlights: • Ion bombardment could induce DNA transfer into E. coli cells. • The DNA transfer induction depended on ion energy and fluence. • The mechanism was associated with the bacterial cell envelope structure. • A mechanism phase diagram was proposed to summarize the mechanism. - Abstract: As a useful ion beam biotechnology, ion-bombardment-induced DNA transfer into bacterial Escherichia coli (E. coli) cells has been successfully operated using argon ions. In the process ion bombardment of the bacterial cells modifies the cell envelope materials to favor the exogenous DNA molecules to pass through the envelope to enter the cell. The occurrence of the DNA transfer induction was found ion energy and fluence dependent in a complex manner. At ion energy of a few keV and a few tens of keV to moderate fluences the DNA transfer could be induced by ion bombardment of the bacterial cells, while at the same ion energy but to high fluences DNA transfer could not be induced. On the other hand, when the ion energy was medium, about 10–20 keV, the DNA transfer could not be induced by ion bombardment of the cells. The complexity of the experimental results indicated a complex mechanism which should be related to the complex structure of the bacterial E. coli cell envelope. A phase diagram was proposed to interpret different mechanisms involved as functions of the ion energy and fluence

  12. Hypothesis for the mechanism of negative ion production in the surface-plasma negative hydrogen ion source

    International Nuclear Information System (INIS)

    Hiskes, J.R.

    1975-01-01

    An analysis of the surface-plasma negative hydrogen ion source has shown that the tungsten cathode supports approximately a monolayer of cesium. The backscattering of protons from the cathode as energetic neutrals and the subsequent backscattering of these neutrals from the anode provides for a flux of energetic atoms incident upon the cathode which is comparable to the ion flux. A hypothesis is proposed for the generation of negative ions during the collision of these energetic atoms with the cathode. Several mechanisms for negative ion production by proton collision with the surface are discussed. (U.S.)

  13. Supercritical water oxidation of ion exchange resins: Degradation mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Leybros, A.; Roubaud, A. [CEA Marcoule, DEN DTCD SPDE LFSM, F-30207 Bagnols Sur Ceze (France); Guichardon, P. [Ecole Cent Marseille, F-13451 Marseille 20 (France); Boutin, O. [Aix Marseille Univ, UMR CNRS 6181, F-13545 Aix En Provence 4 (France)

    2010-07-01

    Spent ion exchange resins are radioactive process wastes for which there is no satisfactory industrial treatment. Supercritical water oxidation could offer a viable treatment alternative to destroy the organic structure of resins and contain radioactivity. IER degradation experiments were carried out in a continuous supercritical water reactor. Total organic carbon degradation rates in the range of 95-98% were obtained depending on operating conditions. GC-MS chromatography analyses were carried out to determine intermediate products formed during the reaction. Around 50 species were identified for cationic and anionic resins. Degradation of poly-styrenic structure leads to the formation of low molecular weight compounds. Benzoic acid, phenol and acetic acid are the main compounds. However, other products are detected in appreciable yields such as phenolic species or heterocycles, for anionic IERs degradation. Intermediates produced by intramolecular rearrangements are also obtained. A radical degradation mechanism is proposed for each resin. In this overall mechanism, several hypotheses are foreseen, according to HOO center dot radical attack sites. (authors)

  14. Activation mechanism of ammonium ions on sulfidation of malachite (-201) surface by DFT study

    Science.gov (United States)

    Wu, Dandan; Mao, Yingbo; Deng, Jiushuai; Wen, Shuming

    2017-07-01

    The activation mechanism of ammonium ions on the sulfidation of malachite (-201) was determined by density functional theory (DFT) calculations. Results of DFT calculations indicated that interlayer sulfidation occurs during the sulfidation process of malachite (-201). The absorption of both the ammonium ion and sulfide ion on the malachite (-201) surface is stronger than that of sulfur ion. After sulfidation was activated with ammonium ion, the Cu 3d orbital peak is closer to the Fermi level and characterized by a stronger peak value. Therefore, the addition of ammonium ions activated the sulfidation of malachite (-201), thereby improving the flotation performance.

  15. Charge states of ions, and mechanisms of charge ordering transitions

    Science.gov (United States)

    Pickett, Warren E.; Quan, Yundi; Pardo, Victor

    2014-07-01

    To gain insight into the mechanism of charge ordering transitions, which conventionally are pictured as a disproportionation of an ion M as 2Mn+→M(n+1)+ + M(n-1)+, we (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new results for the putative charge ordering compound AgNiO2 and the dual charge state insulator AgO, and (3) analyze the cationic occupations of the actual (not formal) charge, and work to reconcile the conundrums that arise. We establish that several of the clearest cases of charge ordering transitions involve no disproportion (no charge transfer between the cations, and hence no charge ordering), and that the experimental data used to support charge ordering can be accounted for within density functional-based calculations that contain no charge transfer between cations. We propose that the charge state picture retains meaning and importance, at least in many cases, if one focuses on Wannier functions rather than atomic orbitals. The challenge of modeling charge ordering transitions with model Hamiltonians isdiscussed.

  16. The mechanism of ion exchange on ammonium 12-molybdophosphate (AMP)

    International Nuclear Information System (INIS)

    Boeyens, J.C.A.; McDougall, G.J.; Smit, J. van R.

    1987-01-01

    This paper reviews some published and unpublished data on the ion-exchange properties of AMP. The three NH 4 + ions are only partially exchanged for large monovalent ions. In the case of NH 4 + /K + exchange, the energy lost by the breaking of H bonds between the NH 4 + ions and anionic cage oxygen atoms beyond the point of maximum exchange is no longer compensated for by bond strengthening in the anion due to contraction of the cage. With Rb + , Cs + and T1 + , limited convertibility results from the lattice expansion required to accommodate these larger ions. During exchange, part of the cations pass through the anionic cages, thereby causing considerable lattice disorder. The maximum exchange capacity of AMP for the alkali metal ions is not a simple function of cation radius. (author)

  17. Coupled Mechanical-Electrochemical-Thermal Analysis of Failure Propagation in Lithium-ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chao; Santhanagopalan, Shriram; Pesaran, Ahmad

    2016-07-28

    This is a presentation given at the 12th World Congress for Computational Mechanics on coupled mechanical-electrochemical-thermal analysis of failure propagation in lithium-ion batteries for electric vehicles.

  18. Interpretation of Simultaneous Mechanical-Electrical-Thermal Failure in a Lithium-Ion Battery Module: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chao; Santhanagopalan, Shriram; Stock, Mark J.; Brunhart-Lupo, Nicholas; Gruchalla, Kenny

    2016-12-01

    Lithium-ion batteries are currently the state-of- the-art power sources for electric vehicles, and their safety behavior when subjected to abuse, such as a mechanical impact, is of critical concern. A coupled mechanical-electrical-thermal model for simulating the behavior of a lithium-ion battery under a mechanical crush has been developed. We present a series of production-quality visualizations to illustrate the complex mechanical and electrical interactions in this model.

  19. Some experimental considerations regarding ion beam simulation of neutron irradiation for mechanical property measurements

    International Nuclear Information System (INIS)

    Styris, D.L.; Jones, R.H.; Harling, O.K.; Kulcinski, G.L.; Marshall, R.P.

    1975-01-01

    A preliminary assessment of the requirements for mechanical property data related to CTR materials is given. The status of ion simulation for mechanical property measurements is described. A damage analysis and calculations for light ions are presented along with sample size, heating and cooling, and surface considerations

  20. Effect of Coulomb collision on the negative ion extraction mechanism in negative ion sources.

    Science.gov (United States)

    Goto, I; Miyamoto, K; Nishioka, S; Mattei, S; Lettry, J; Abe, S; Hatayama, A

    2016-02-01

    To improve the H(-) ion beam optics, it is necessary to understand the energy relaxation process of surface produced H(-) ions in the extraction region of Cs seeded H(-) ion sources. Coulomb collisions of charged particles have been introduced to the 2D3V-PIC (two dimension in real space and three dimension in velocity space particle-in-cell) model for the H(-) extraction by using the binary collision model. Due to Coulomb collision, the lower energy part of the ion energy distribution function of H(-) ions has been greatly increased. The mean kinetic energy of the surface produced H(-) ions has been reduced to 0.65 eV from 1.5 eV. It has been suggested that the beam optics of the extracted H(-) ion beam is strongly affected by the energy relaxation process due to Coulomb collision.

  1. Mechanical properties of ion-beam-textured surgical implant alloys

    Science.gov (United States)

    Weigand, A. J.

    1977-01-01

    An electron-bombardment Hg ion thruster was used as an ion source to texture surfaces of materials used to make orthopedic and/or dental prostheses or implants. The materials textured include 316 stainless steel, titanium-6% aluminum, 4% vanadium, and cobalt-20% chromium, 15% tungsten. To determine the effect of ion texturing on the ultimate strength and yield strength, stainless steel and Co-Cr-W alloy samples were tensile tested to failure. Three types of samples of both materials were tested. One type was ion-textured (the process also heats each sample to 300 C), another type was simply heated to 300 C in an oven, and the third type was untreated. Stress-strain diagrams, 0.2% offset yield strength data, total elongation data, and area reduction data are presented. Fatigue specimens of ion textured and untextured 316 stainless steel and Ti-6% Al-4% V were tested. Included as an ion textured sample is a Ti-6% Al-4% V sample which was ion machined by means of Ni screen mask so as to produce an array of 140 mu m x 140 mu m x 60 mu m deep pits. Scanning electron microscopy was used to characterize the ion textured surfaces.

  2. On two possible mechanisms of metallic island remotion from solid surface at heavy multicharged ion irradiation

    International Nuclear Information System (INIS)

    Vorob'eva, I.V.; Geguzin, Ya.E.; Monastyrenko, V.E.

    1986-01-01

    Two mechanisms of energy transfer from a moving ion to a metallic island film on a solid surface are described. A particular case when the energy transfer quantity is enough to remove an island from the solid surface breaking adhesion bond is considered. One mechanism is 'shaking off', another one is a 'jumping up' mechanism. The essence of the first mechanism is that an ion bombarding the surface excites a cylindrical shock wave with a front that can 'shake off' islands from the solid surface along the ion trajectory when it reaches the surface. An island is heated in pulsed mode, and during thermal expansion it should push off the substrate, and so it jumps up. The pure case of such mechanism is observed when an ion transverses an island and transfers energy to the latter one that is defined by the quantity of ion energy losses in the island

  3. Mechanism of negative hydrogen ion emission from heated saline hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Kawano, Hiroyuki; Serizawa, Naoshi; Takeda, Makiko; Hasegawa, Seiji [Ehime Univ., Matsuyama (Japan). Faculty of Science

    1997-02-01

    To find a clue to the mechanism of negative hydrogen ion emission from a heated sample ({approx}10 mg) of powdery saline hydride (LiH or CaH{sub 2}) deposited on a molybdenum ribbon ({approx}0.1 cm{sup 2}), both the ionic and electronic emission currents were measured as a function of sample temperature ({approx}700 - 800 K), thereby yielding {approx}10{sup -15} - 10{sup -12} A of H{sup -} after mass analysis and {approx}10{sup -7} - 10{sup -5} A of thermal electron. Thermophysical analysis of these data indicates that the desorption energy (E{sup -}) of H{sup -} and work function ({phi}) of the emitting sample surface are 5.1 {+-} 0.3 and 3.1 {+-} 0.2 eV for LiH, respectively, while E{sup -} is 7.7 {+-} 0.3 eV and {phi} is 5.0 {+-} 0.2 eV for CaH{sub 2}. Thermochemical analysis based on our simple model on the emissions indicates that the values of E{sup -} - {phi} are 2.35 and 2.31 eV for LiH and CaH{sub 2}, respectively, which are in fair agreement with the respective values (2.1 {+-} 0.3 and 2.6 {+-} 0.3 eV) determined experimentally. This agreement indicates that the emission of H{sup -} is reasonably explained by our model from the viewpoint of reaction energy. (author)

  4. Auger decay mechanism in photon-stimulated desorption of ions from surfaces

    International Nuclear Information System (INIS)

    Parks, C.C.

    1983-11-01

    Photon-stimulated desorption (PSD) of positive ions was studied with synchrotron radiation using an angle-integrating time-of-flight mass spectrometer. Ion yields as functions of photon energy near core levels were measured from condensed gases, alkali fluorides, and other alkali and alkaline earth halides. These results are compared to bulk photoabsorption measurements with emphasis on understanding fundamental desorption mechanisms. The applicability of the Auger decay mechanism, in which ion desorption is strictly proportional to surface absorption, is discussed in detail. The Auger decay model is developed in detail to describe Na + and F + desorption from NaF following Na(1s) excitation. The major decay pathways of the Na(1s) hole leading to desorption are described and equations for the energetics of ion desorption are developed. Ion desorption spectra of H + , Li + , and F + are compared to bulk photoabsorption near the F(2s) and Li(1s) edges of LiF. A strong photon beam exposure dependence of ion yields from alkali fluorides is revealed, which may indicate the predominance of metal ion desorption from defect sites. The large role of indirect mechanisms in ion desorption condensed N 2 -O 2 multilayers is demonstrated and discussed. Ion desorption spectra from several alkali halides and alkaline earth halides are compared to bulk photoabsorption spectra. Relative ion yields from BaF 2 and a series of alkali halides are discussed in terms of desorption mechanisms

  5. Mechanisms for pion production in heavy ion collisions

    International Nuclear Information System (INIS)

    Pfeiffer, M.

    1991-01-01

    In the following contribution some aspects concerning pion production in heavy ion collisions will be discussed. After a general introduction the properties of pions and the Δ-resonance will be briefly mentioned. In the following section some points refering to the pion production in a relativistic heavy ion collision will be discussed. In addition, the basic ideas of the applied models will be shown. In the last part results from existing experiments and possible interpretations will be presented. (orig.)

  6. Effect of ion irradiation on the surface, structural and mechanical properties of brass

    Science.gov (United States)

    Ahmad, Shahbaz; Bashir, Shazia; Ali, Nisar; Umm-i-Kalsoom; Yousaf, Daniel; Faizan-ul-Haq; Naeem, Athar; Ahmad, Riaz; Khlaeeq-ur-Rahman, M.

    2014-04-01

    Modifications to the surface, structural and mechanical properties of brass after ion irradiation have been investigated. Brass targets were bombarded by carbon ions of 2 MeV energy from a Pelletron linear accelerator for various fluences ranging from 56 × 1012 to 26 × 1013 ions/cm2. A scanning electron microscope and X-ray diffractometer were utilized to analyze the surface morphology and crystallographic structure respectively. To explore the mechanical properties e.g., yield stress, ultimate tensile strength and microhardness of irradiated brass, an universal tensile testing machine and Vickers microhardness tester were used. Scanning electron microscopy results revealed an irregular and randomly distributed sputter morphology for a lower ion fluence. With increasing ion fluence, the incoherently shaped structures were transformed into dendritic structures. Nano/micro sized craters and voids, along with the appearance of pits, were observed at the maximum ion fluence. From X-ray diffraction results, no new phases were observed to be formed in the brass upon irradiation. However, a change in the peak intensity and higher and lower angle shifting were observed, which represents the generation of ion-induced defects and stresses. Analyses confirmed modifications in the mechanical properties of irradiated brass. The yield stress, ultimate tensile strength and hardness initially decreased and then increased with increasing ion fluence. The changes in the mechanical properties of irradiated brass are well correlated with surface and crystallographic modifications and are attributed to the generation, augmentation, recombination and annihilation of the ion-induced defects.

  7. Conduction Mechanisms and Structure of Ionomeric Single-Ion Conductors

    Energy Technology Data Exchange (ETDEWEB)

    Colby, Ralph H. [Pennsylvania State Univ., University Park, PA (United States); Maranas, Janna K. [Pennsylvania State Univ., University Park, PA (United States); Mueller, Karl T. [Pennsylvania State Univ., University Park, PA (United States); Runt, James [Pennsylvania State Univ., University Park, PA (United States); Winey, Karen I. [Univ. of Pennsylvania, Philadelphia, PA (United States)

    2015-03-01

    Our team has designed using DFT (Gaussian) and synthesized low glass transition temperature single-ion conductors that are either polyanions that conduct small cations Li+, Na+, Cs+ or polycations that conduct small anions F-, OH-, Br-. We utilize a wide range of complimentary experimental materials characterization tools to understand ion transport; differential scanning calorimetry, dielectric relaxation spectroscopy, infrared spectroscopy, nuclear magnetic resonance spectroscopy, linear viscoelasticity, X-ray scattering and molecular dynamics simulations. The glass transition temperature Tg needs to be as low as possible to facilitate ion transport, so the nonionic parts of the polymer need to be polar, flexible and have strong solvation interactions with the ions. The lowest Tg we have managed for polyanions conducting Li+ is -60 °C. In contrast, polysiloxanes with PEO side chains and tetrabutylphosphonium cationic side groups have Tg ≈ -75 °C that barely increases with ion content, as anticipated by DFT. A survey of all polyanions in the literature suggests that Tg < -80 °C is needed to achieve the 10-4 S/cm conductivity needed for battery separators.

  8. Effect of Coulomb collision on the negative ion extraction mechanism in negative ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Goto, I., E-mail: goto@ppl.appi.keio.ac.jp; Nishioka, S.; Abe, S.; Hatayama, A. [Graduate School of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan); Miyamoto, K. [Naruto University of Education, 748 Nakashima, Takashima, Naruto-cho, Naruto-shi, Tokushima 772-8502 (Japan); Mattei, S.; Lettry, J. [CERN, 1211 Geneva 23 (Switzerland)

    2016-02-15

    To improve the H{sup −} ion beam optics, it is necessary to understand the energy relaxation process of surface produced H{sup −} ions in the extraction region of Cs seeded H{sup −} ion sources. Coulomb collisions of charged particles have been introduced to the 2D3V-PIC (two dimension in real space and three dimension in velocity space particle-in-cell) model for the H{sup −} extraction by using the binary collision model. Due to Coulomb collision, the lower energy part of the ion energy distribution function of H{sup −} ions has been greatly increased. The mean kinetic energy of the surface produced H{sup −} ions has been reduced to 0.65 eV from 1.5 eV. It has been suggested that the beam optics of the extracted H{sup −} ion beam is strongly affected by the energy relaxation process due to Coulomb collision.

  9. On the mechanism of ion exchange in zirconium phosphates

    International Nuclear Information System (INIS)

    Clearfield, A.; Kalnins, J.M.

    1978-01-01

    The exchange of transition metal (M 2+ ) ions from manganese through cobalt, nickel, copper to zinc with γ-zirconium phosphate was examined. By using acetate salts the hydrogen ion concentration is kept low enough to achieve high loadings. The fully loaded solids have the composition ZrM(PO 4 ) 2 .4H 2 O. Near quantitative uptakes are achieved at 100 0 C. The interlayer spacings change very little with loading indicating that γ-zirconium phosphate is able to accommodate cations and water molecules without appreciable increase in volume. The copper exchanged phase readily forms an acetylacetonate when shaken with 2,4-pentanedione. (author)

  10. Synthesis, crystal structures and luminescence properties of two metal carboxyphosphonates

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chaonan; Feng, Pingjing; Li, Jintang, E-mail: leejt@xmu.edu.cn; Luo, Xuetao

    2017-05-15

    Two metal carboxyphosphonates, [Co{sub 2}(OOCC{sub 5}H{sub 3}NPO{sub 3}){sub 2·}(H{sub 2}O){sub 3}] (Compound1) and Zn{sub 3}[OOCC{sub 6}H{sub 3}CH(OH)PO{sub 3}]{sub 2·}2H{sub 2}O (Compound2) were successfully synthesized under the hydrothermal reactions. In compound 1, two (Co1-NO{sub 5}) octahedra link the (CPO{sub 3}) by sharing the corner, which link the two (Co2-O{sub 6}) octahedra. From a-axis the six clusters form the layer. Each layer is linked through hydrogen bond. In compound 2, the (Zn-O{sub 4}) tetrahedron and (CPO{sub 3}) tetrahedron are corner-shared, which arrange in line. From a-axis, each line forms the columnar. The thermal and luminescence properties of these compounds were investigated. - Graphical abstract: The synthesis conditions of the two compounds and the crystal morphology. Compound 1 shows the layer and the compound 2 shows the pillared-layer. - Highlights: • Two new carboxyphosphonate ligands have been prepared. • Using the two ligands, two metal carboxyphosphonates have been synthesized. • The two MOFs may be candidates for fluorescent materials.

  11. Effect of ion irradiation on the surface, structural and mechanical properties of brass

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Shahbaz; Bashir, Shazia, E-mail: shaziabashir@gcu.edu.pk; Ali, Nisar; Umm-i-Kalsoom,; Yousaf, Daniel; Faizan-ul-Haq,; Naeem, Athar; Ahmad, Riaz; Khlaeeq-ur-Rahman, M.

    2014-04-01

    Highlights: • Brass targets were exposed to carbon ions of energy 2 MeV. • The effect of ion dose has been investigated. • The surface morphology is investigated by SEM analysis. • XRD analysis is performed to reveal structural modification. • Mechanical properties were investigated by tensile testing and microhardness testing. - Abstract: Modifications to the surface, structural and mechanical properties of brass after ion irradiation have been investigated. Brass targets were bombarded by carbon ions of 2 MeV energy from a Pelletron linear accelerator for various fluences ranging from 56 × 10{sup 12} to 26 × 10{sup 13} ions/cm{sup 2}. A scanning electron microscope and X-ray diffractometer were utilized to analyze the surface morphology and crystallographic structure respectively. To explore the mechanical properties e.g., yield stress, ultimate tensile strength and microhardness of irradiated brass, an universal tensile testing machine and Vickers microhardness tester were used. Scanning electron microscopy results revealed an irregular and randomly distributed sputter morphology for a lower ion fluence. With increasing ion fluence, the incoherently shaped structures were transformed into dendritic structures. Nano/micro sized craters and voids, along with the appearance of pits, were observed at the maximum ion fluence. From X-ray diffraction results, no new phases were observed to be formed in the brass upon irradiation. However, a change in the peak intensity and higher and lower angle shifting were observed, which represents the generation of ion-induced defects and stresses. Analyses confirmed modifications in the mechanical properties of irradiated brass. The yield stress, ultimate tensile strength and hardness initially decreased and then increased with increasing ion fluence. The changes in the mechanical properties of irradiated brass are well correlated with surface and crystallographic modifications and are attributed to the generation

  12. The effect of metal ion implantation on the surface mechanical properties of Mylar (PET)

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, W; Sood, D K [Royal Melbourne Inst. of Tech., VIC (Australia); Yao, X; Brown, I G [California Univ., Berkeley, CA (United States). Lawrence Berkeley Lab.

    1994-12-31

    Ion implantation of polymers leads to the formation of new carbonaceous materials, the revolution during implantation of various species consists of (1) ion beam induced damage: chain scission, crosslinking, molecular emission of volatile elements and compounds, stoichiometric change in the surface layer of pristine polymers; and (2) chemical effect between ion and target materials: microalloying and precipitation. Literature regarding ion implanted polymers shows that the reorganisation of the carbon network after implantation can dramatically modify several properties of pristine polymers solubility, molecular weight, and electrical, optical and mechanical properties. However, ion implantation of polymers is actually a very complex interaction which depends on not only ion species, implantation condition, but also polymer type and specific structure. In this paper the effect of Ag or Ti ions implantation on surface mechanical properties of PET (polyethylenne terephthalate) polymer is reported. There was a clear deterioration in wear resistance after implantation of both Ag and Ti ions. It is suggested that the increment of wear after implantation may result from not only ion damage but also chemical effect between ion and target material. 3 refs., 1 tab., 2 figs.

  13. The effect of metal ion implantation on the surface mechanical properties of Mylar (PET)

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, W.; Sood, D.K. [Royal Melbourne Inst. of Tech., VIC (Australia); Yao, X.; Brown, I.G. [California Univ., Berkeley, CA (United States). Lawrence Berkeley Lab.

    1993-12-31

    Ion implantation of polymers leads to the formation of new carbonaceous materials, the revolution during implantation of various species consists of (1) ion beam induced damage: chain scission, crosslinking, molecular emission of volatile elements and compounds, stoichiometric change in the surface layer of pristine polymers; and (2) chemical effect between ion and target materials: microalloying and precipitation. Literature regarding ion implanted polymers shows that the reorganisation of the carbon network after implantation can dramatically modify several properties of pristine polymers solubility, molecular weight, and electrical, optical and mechanical properties. However, ion implantation of polymers is actually a very complex interaction which depends on not only ion species, implantation condition, but also polymer type and specific structure. In this paper the effect of Ag or Ti ions implantation on surface mechanical properties of PET (polyethylenne terephthalate) polymer is reported. There was a clear deterioration in wear resistance after implantation of both Ag and Ti ions. It is suggested that the increment of wear after implantation may result from not only ion damage but also chemical effect between ion and target material. 3 refs., 1 tab., 2 figs.

  14. Mechanism of negative ion emission from surfaces of ferroelectrics

    Czech Academy of Sciences Publication Activity Database

    Šroubek, Zdeněk

    2012-01-01

    Roč. 606, 15-16 (2012), s. 1327-1330 ISSN 0039-6028 Institutional support: RVO:67985882 Keywords : Surface of ferroelectrics * Ion emission Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.838, year: 2012 http://www.sciencedirect.com/science/article/pii/S0039602812001525#gts0005

  15. Molecular Mechanisms of Ion-Specific Effects on Proteins

    Czech Academy of Sciences Publication Activity Database

    Rembert, K. B.; Paterová, Jana; Heyda, Jan; Hilty, Ch.; Jungwirth, Pavel; Cremer, P. S.

    2012-01-01

    Roč. 134, č. 24 (2012), s. 10039-10046 ISSN 0002-7863 R&D Projects: GA ČR GA203/08/0114 Institutional research plan: CEZ:AV0Z40550506 Keywords : ions * proteins * molecular dynamics * NMR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 10.677, year: 2012

  16. 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

  17. Improvement of the mechanical and frictional properties of steels by continuous and pulsed ion irradiation

    International Nuclear Information System (INIS)

    Romanov, I.G.

    1992-01-01

    Effect of continuous and powerful pulsed ion beams (PIB) on structural, mechanical, tribological properties and surface morphology of steels were investigated. The results obtained demonstrate the significant influence of ion irradiation type on microhardness, friction coefficient, wear resistance and surface roughness characteristics. Friction coefficient variation in irradiated steels is interpreted within the framework of an adhesion-deformation model

  18. Ion transport mechanisms in lamellar phases of salt-doped PS–PEO block copolymer electrolytes

    KAUST Repository

    Sethuraman, Vaidyanathan

    2017-10-23

    We use a multiscale simulation strategy to elucidate, at an atomistic level, the mechanisms underlying ion transport in the lamellar phase of polystyrene–polyethylene oxide (PS–PEO) block copolymer (BCP) electrolytes doped with LiPF6 salts. Explicitly, we compare the results obtained for ion transport in the microphase separated block copolymer melts to those for salt-doped PEO homopolymer melts. In addition, we also present results for dynamics of the ions individually in the PEO and PS domains of the BCP melt, and locally as a function of the distance from the lamellar interfaces. When compared to the PEO homopolymer melt, ions were found to exhibit slower dynamics in both the block copolymer (overall) and in the PEO phase of the BCP melt. Such results are shown to arise from the effects of slower polymer segmental dynamics in the BCP melt and the coordination characteristics of the ions. Polymer backbone-ion residence times analyzed as a function of distance from the interface indicate that ions have a larger residence time near the interface compared to that near the bulk of lamella, and demonstrates the influence of the glassy PS blocks and microphase segregation on the ion transport properties. Ion transport mechanisms in BCP melts reveal that there exist five distinct mechanisms for ion transport along the backbone of the chain and exhibit qualitative differences from the behavior in homopolymer melts. We also present results as a function of salt concentration which show that the mean-squared displacements of the ions decrease with increasing salt concentration, and that the ion residence times near the polymer backbone increase with increasing salt concentration.

  19. Ion transport mechanisms in lamellar phases of salt-doped PS–PEO block copolymer electrolytes

    KAUST Repository

    Sethuraman, Vaidyanathan; Mogurampelly, Santosh; Ganesan, Venkat

    2017-01-01

    We use a multiscale simulation strategy to elucidate, at an atomistic level, the mechanisms underlying ion transport in the lamellar phase of polystyrene–polyethylene oxide (PS–PEO) block copolymer (BCP) electrolytes doped with LiPF6 salts. Explicitly, we compare the results obtained for ion transport in the microphase separated block copolymer melts to those for salt-doped PEO homopolymer melts. In addition, we also present results for dynamics of the ions individually in the PEO and PS domains of the BCP melt, and locally as a function of the distance from the lamellar interfaces. When compared to the PEO homopolymer melt, ions were found to exhibit slower dynamics in both the block copolymer (overall) and in the PEO phase of the BCP melt. Such results are shown to arise from the effects of slower polymer segmental dynamics in the BCP melt and the coordination characteristics of the ions. Polymer backbone-ion residence times analyzed as a function of distance from the interface indicate that ions have a larger residence time near the interface compared to that near the bulk of lamella, and demonstrates the influence of the glassy PS blocks and microphase segregation on the ion transport properties. Ion transport mechanisms in BCP melts reveal that there exist five distinct mechanisms for ion transport along the backbone of the chain and exhibit qualitative differences from the behavior in homopolymer melts. We also present results as a function of salt concentration which show that the mean-squared displacements of the ions decrease with increasing salt concentration, and that the ion residence times near the polymer backbone increase with increasing salt concentration.

  20. Mechanical and Structural Properties of Fluorine-Ion-Implanted Boron Suboxide

    Directory of Open Access Journals (Sweden)

    Ronald Machaka

    2012-01-01

    degradation of near-surface mechanical properties with increasing fluorine fluence. Implications of these observations in the creation of amorphous near-surface layers by high-dose ion implantation are discussed in this paper.

  1. On the quantum mechanics of deep inelastic collisions between heavy ions

    International Nuclear Information System (INIS)

    Toledo Piza, A.F.R. de

    1981-06-01

    An overview of the quantum-mechanical foundations of the dynamical behaviour of deep inelastic collisions between heavy ions is given. The use of time dependent Hartree-Fock method is stressed. (L.C.) [pt

  2. Mechanical and Structural Properties of Fluorine-Ion-Implanted Boron Suboxide

    OpenAIRE

    Machaka, Ronald; Mwakikunga, Bonex W.; Manikandan, Elayaperumal; Derry, Trevor E.; Sigalas, Iakovos; Herrmann, Mathias

    2012-01-01

    Results on a systematic study on the effects of ion implantation on the near-surface mechanical and structural properties of boron suboxide (B 6O) prepared by uniaxial hot pressing are reviewed. 150keV fluorine ions at fluences of up to 5.0 × 10 16ions/cm 2 were implanted into the ultrahard ceramic material at room temperature and characterized using Raman spectroscopy, atomic force microscopy, and scanning electron microscopy with energy-dispersive X-ray spectroscopy. Evidence of ion-beam-as...

  3. Classifying the mechanisms of electrochemical shock in ion-intercalation materials

    OpenAIRE

    Woodford, William; Carter, W. Craig; Chiang, Yet-Ming

    2014-01-01

    “Electrochemical shock” – the electrochemical cycling-induced fracture of materials – contributes to impedance growth and performance degradation in ion-intercalation batteries, such as lithium-ion. Using a combination of micromechanical models and acoustic emission experiments, the mechanisms of electrochemical shock are identified, classified, and modeled in targeted model systems with different composition and microstructure. A particular emphasis is placed on mechanical degradation occurr...

  4. New excitation and ionization mechanism of ions in dense plasmas

    International Nuclear Information System (INIS)

    Fujimoto, Takashi; Kato, Takako.

    1981-10-01

    It is shown that, in dense plasmas, dielectronic capture into doubly excited ionic states followed by the ladder-like excitation-ionization chain becomes important in the excitation-ionization process of ions. For an example of a hydrogen-like ion, its contribution to the excitation 1s → 2s, 2p and also to the ionization has been evaluated by the method of the quasi-steady-state solution to the rate equations. The increase is found to be substantial, i.e., by more than a factor of two both for the excitation and ionization rate coefficients. PACS classification: 52.25., 32.80.D sub(z), 34.80.D. (author)

  5. Pumping mechanisms in sputter-ion pumps low pressure operation

    International Nuclear Information System (INIS)

    Welch, K.M.

    1991-01-01

    It is shown that significant H 2 pumping occurs in the walls of triode pumps. Also, H 2 is pumped in the anode cells of sputter-ion pumps. This pumping occurs in a manner similar to that by which the inert gases are pumped. That is, H 2 pumped in the walls of the anode cells by high energy neutral burial. Hydrogen in the pump walls and anodes limits the base pressure of the pump. 13 refs., 5 figs., 1 tab

  6. Pumping mechanisms in sputter-ion pumps low pressure operation

    International Nuclear Information System (INIS)

    Welch, K.M.

    1991-01-01

    It is shown that significant H 2 pumping occurs in the walls of triode pumps. Also, H 2 is pumped in the anode cells of sputter-ion pumps. This pumping occurs in a manner similar to that by which the inert gases are pumped. That is, H 2 is pumped in the walls of the anode cells by high energy neutral burial. Hydrogen in the pump walls and anodes limits the base pressure of the pump

  7. Mechanisms of Acceleration and Retardation of Water Dynamics by Ions

    Czech Academy of Sciences Publication Activity Database

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

    2013-01-01

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

  8. Destruction mechanism of the internal structure in Lithium-ion batteries used in aviation industry

    International Nuclear Information System (INIS)

    Swornowski, Paweł J.

    2017-01-01

    In the article, the reasons for destruction of the internal structure in Lithium-ion batteries used in aviation industry have been explained. They manifest themselves in the battery's overheating, and in extreme cases they result in explosion. The report presents the results of experiments, which consisted in subjecting the tested Lithium-ion battery to vibration over a specified period of time and observing the changes of temperature inside it with the use of a thermal infrared camera. Another focal point of the study was the influence of vibrations on voltage change in relation to variable current load, and the influence of ambient temperature change on the Lithium-ion battery's voltage change. It has also been demonstrated that vibrations can damage the control electronics of the Lithium-ion battery. Moreover, the mechanism by which potentially dangerous thermal hot spots are formed in a Lithium-ion battery has been presented, as well as an uncertainty analysis of all measurement results. - Highlights: • The causes of internal destruction of Lithium-ion batteries are external vibrations. • The influence of vibrations on the change of a Lithium-ion battery's most parameters. • The mechanism leading to the explosion of a Lithium-ion battery was demonstrated. • The conclusions ensuring safe exploitation of a Lithium-ion battery were presented.

  9. Influence of ion irradiation induced defects on mechanical properties of copper nanowires

    International Nuclear Information System (INIS)

    Li, Weina; Sun, Lixin; Xue, Jianming; Wang, Jianxiang; Duan, Huiling

    2013-01-01

    The mechanical properties of copper nanowires irradiated with energetic ions have been investigated by using molecular dynamics simulations. The Cu ions with energies ranging from 0.2 to 8.0 keV are used in our simulation, and both the elastic properties and yields under tension and compression are analyzed. The results show that two kinds of defects, namely point defects and stacking faults, appear in the irradiated nanowires depending on the incident ion energy. The Young modulus is significantly reduced by the ion irradiation, and the reduction magnitude depends on the vacancy number, which is determined by the ion energy. Moreover, the irradiated nanowires yield at a smaller strain, compared with the unirradiated nanowire. The mechanism for these changes are also discussed

  10. Mechanism of potassium ion uptake by the Na+/K+-ATPase

    Science.gov (United States)

    Castillo, Juan P.; Rui, Huan; Basilio, Daniel; Das, Avisek; Roux, Benoît; Latorre, Ramon; Bezanilla, Francisco; Holmgren, Miguel

    2015-07-01

    The Na+/K+-ATPase restores sodium (Na+) and potassium (K+) electrochemical gradients dissipated by action potentials and ion-coupled transport processes. As ions are transported, they become transiently trapped between intracellular and extracellular gates. Once the external gate opens, three Na+ ions are released, followed by the binding and occlusion of two K+ ions. While the mechanisms of Na+ release have been well characterized by the study of transient Na+ currents, smaller and faster transient currents mediated by external K+ have been more difficult to study. Here we show that external K+ ions travelling to their binding sites sense only a small fraction of the electric field as they rapidly and simultaneously become occluded. Consistent with these results, molecular dynamics simulations of a pump model show a wide water-filled access channel connecting the binding site to the external solution. These results suggest a mechanism of K+ gating different from that of Na+ occlusion.

  11. Recent advances in biological effect and molecular mechanism of arabidopsis thaliana irradiated by ion beams

    International Nuclear Information System (INIS)

    Wu Dali; Hou Suiwen; Li Wenjian

    2008-01-01

    Newly research progresses were summarized in effect of ion beams on seed surface, biological effect, growth, development, gravitropism and so on. Furthermore, mutation molecular mechanism of Arabidopsis thaliana was discussed, for example, alteration of DNA bases, DNA damage, chromosomal recombination, characteristics of mutant transmissibility, etc. Meanwhile, the achievements of transfer- ring extraneous gene to Arabidopsis thaliana by ion beams were reviewed in the paper. At last, the future prospective are also discussed here in mutation molecular mechanism and the potential application of biological effect of heavy ion beams. (authors)

  12. Mechanics of high-capacity electrodes in lithium-ion batteries

    International Nuclear Information System (INIS)

    Zhu, Ting

    2016-01-01

    Rechargeable batteries, such as lithium-ion batteries, play an important role in the emerging sustainable energy landscape. Mechanical degradation and resulting capacity fade in high-capacity electrode materials critically hinder their use in high-performance lithium-ion batteries. This paper presents an overview of recent advances in understanding the electrochemically-induced mechanical behavior of the electrode materials in lithium-ion batteries. Particular emphasis is placed on stress generation and facture in high-capacity anode materials such as silicon. Finally, we identify several important unresolved issues for future research. (topical review)

  13. Pulse radiolysis of alkanes in the gas-phase, ion-molecule reactions and neutralization mechanisms of hydrocarbon ions

    International Nuclear Information System (INIS)

    Ausloos, P.

    1975-01-01

    A discussion is presented of the fate of unreactive hydrocarbon ions in various selected gaseous systems. It is shown that experiments performed with the high radiation dose rates obtained in pulse radiolysis experiments have several advantages over conventional low dose rate experiments for the elucidation of the mechanism of homogeneous neutralization of unreactive hydrocarbon ions. This is so because the charged species has a much shorter lifetime with respect to neutralization under high dose rate (pulse radiolysis) conditions, so that the reaction of the ions with minor impurities or accumulated products is much less probable than in low dose rate experiments. It is further shown through a few examples, that quantitative information about the rate contants of neutralization events and ion-molecule reactions can be obtained when the dose rate is high enough for neutralization and chemical reaction to be in competition. Once reliable rate constants for neutralization and ion-molecule reactions are derived, one can obtain a quantitative evaluation of the products which will by formed in the pulse radiolysis of a hydrocarbon gas mixture from a computer calculation. (author)

  14. On the mechanism of ion exchange in zirconium phosphates

    International Nuclear Information System (INIS)

    Clearfield, A.; Frianeza, T.N.

    1978-01-01

    α-titanium phosphate, Ti(HPO 4 ) 2 .H 2 O, was found to form two sodium ion exchanged phases. A half exchanged phase of ideal composition TiNaH(PO 4 ) 2 .4H 2 O formed first. However, before all of the titanium phosphate was converted to this phase a second phase of higher Na + content formed. Thus, a three phase solid existed until sufficient sodium ion uptake (approximately 5.5 meq/g) produced only the two exchanged phases. Finally, the half exchanged phase was converted to the more highly loaded one and this latter phase existed from 6 to 8 meq/g of Na + uptake. Severe disordering of the crystal lattice during exchange is proposed to explain this unusual exchange behavior. A broad range of titanium phosphate-zirconium phosphate solid solutions was found to form. Their behavior towards Na + -H + exchange was determined and interpreted on the basis of the known behavior of the pure phases. Mixed Ti-Zr solid solutions of their pyrophosphates were obtained at elevated temperatures. (author)

  15. Mechanisms involved in the transport of mercuric ions in target tissues

    Science.gov (United States)

    Bridges, Christy C.; Zalups, Rudolfs K.

    2016-01-01

    Mercury exists in the environment in various forms, all of which pose a risk to human health. Despite guidelines regulating the industrial release of mercury into the environment, humans continue to be exposed regularly to various forms of this metal via inhalation or ingestion. Following exposure, mercuric ions are taken up by and accumulate in numerous organs, including brain, intestine, kidney, liver, and placenta. In order to understand the toxicological effects of exposure to mercury, a thorough understanding of the mechanisms that facilitate entry of mercuric ions into target cells must first be obtained. A number of mechanisms for the transport of mercuric ions into target cells and organs have been proposed in recent years. However, the ability of these mechanisms to transport mercuric ions and the regulatory features of these carriers have not been characterized completely. The purpose of this review is to summarize the current findings related to the mechanisms that may be involved in the transport of inorganic and organic forms of mercury in target tissues and organs. This review will describe mechanisms known to be involved in the transport of mercury and will also propose additional mechanisms that may potentially be involved in the transport of mercuric ions into target cells. PMID:27422290

  16. Mechanism of long-range penetration of low-energy ions in botanic samples

    International Nuclear Information System (INIS)

    Liu Feng; Wang Yugang; Xue Jianming; Wang Sixue; Du Guanghua; Yan Sha; Zhao Weijiang

    2002-01-01

    The authors present experimental evidence to reveal the mechanism of long-range penetration of low-energy ions in botanic samples. In the 100 keV Ar + ion transmission measurement, the result confirmed that low-energy ions could penetrate at least 60 μm thick kidney bean slices with the probability of about 1.0 x 10 -5 . The energy spectrum of 1 MeV He + ions penetrating botanic samples has shown that there is a peak of the count of ions with little energy loss. The probability of the low-energy ions penetrating the botanic sample is almost the same as that of the high-energy ions penetrating the same samples with little energy loss. The results indicate that there are some micro-regions with mass thickness less than the projectile range of low-energy ions in the botanic samples and they result in the long-range penetration of low-energy ions in botanic samples

  17. Comparison Of Quantum Mechanical And Classical Trajectory Calculations Of Cross Sections For Ion-Atom Impact Ionization of Negative - And Positive -Ions For Heavy Ion Fusion Applications

    International Nuclear Information System (INIS)

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

    2003-01-01

    Stripping cross sections in nitrogen have been calculated using the classical trajectory approximation and the Born approximation of quantum mechanics for the outer shell electrons of 3.2GeV I - and Cs + ions. A large difference in cross section, up to a factor of six, calculated in quantum mechanics and classical mechanics, has been obtained. Because at such high velocities the Born approximation is well validated, the classical trajectory approach fails to correctly predict the stripping cross sections at high energies for electron orbitals with low ionization potential

  18. Oxygen and iron abundances in two metal-poor dwarfs

    Science.gov (United States)

    Spiesman, William J.; Wallerstein, George

    1991-11-01

    Oxygen abundances from the O I line at 6300 A in two metal-poor K dwarfs, HD 25329 and HD 134440, are derived. The spectra were obtained with the KPNO 4-m echelle spectrograph and long camera, yielding a resolution of 32,000 and an S/N of about 125. Model atmospheres with Te of 4770 were appropriate to both stars, whose metallicities were found to be -1.74 and -1.43 for HD 25329 and HD 134440, respectively. These oxygen abundances are 0.3 and 0.4 for the two stars. From the resolution an S/N a 3(sigma) upper limit of 0.8 is derived for each star, which may be combined into an upper limit of O/Fe of 0.6 for a generic K dwarf with Fe/H of 1.6. These values are more in line with O/Fe as seen in similarly metal-poor red giant than those reported in metal-poor subdwarfs by Abia and Rebolo (1989).

  19. Mechanisms behind the generation of protonated ions for polyaromatic hydrocarbons by atmospheric pressure photoionization.

    Science.gov (United States)

    Ahmed, Arif; Choi, Cheol Ho; Choi, Myoung Choul; Kim, Sunghwan

    2012-01-17

    In this study, the mechanism behind the generation of protonated polyaromatic hydrocarbon (PAH) ions without heteroatoms by atmospheric pressure photoionization (APPI) is investigated. Comparing data obtained by APPI of anthracene dissolved either in toluene or perdeuterated toluene suggests that toluene acts as a source of protons and that breakage of C-H bonds in the toluene molecule is important for the overall protonation reaction. Our data describing an Arrhenius-type temperature-dependent relationship between the signal intensities of molecular and protonated ions suggest a mechanistic relation between the generated molecular and protonated ions. The APPI protonation mechanism that best explains the observed phenomena is composed of two reactions: electron transfer followed by hydrogen transfer. This two-step mechanism for APPI was originally suggested by Syage (Syage, J. A. J. Am. Soc. Mass Spectrom. 2004, 15 , 1521-1533). Further quantum mechanical study shows that an energetically favorable ion-molecular complex can be generated as a result of electron transfer from toluene to PAH, which subsequently facilitates hydrogen transfer. This suggests that both electron transfer and hydrogen transfer can occur as a "concerted" reaction through the ion-molecular complex precursor state, which is consistent with experimental results. To our best knowledge, this is the first time that the dynamic nature of the APPI process is clearly revealed by combined experimental and quantum mechanical studies.

  20. Indirect mechanisms in electron-impact ionization of multiply charged ions

    International Nuclear Information System (INIS)

    Phaneuf, R.A.; Gregory, D.C.

    1986-09-01

    The important role of indirect-ionization mechanisms in electron-impact ionization of multiply charged ions has been emphasized by some recent experiments conducted with the ORNL-ECR multicharged ion source. Illustrative examples of investigations of the Mg-isoelectronic and Fe-isonuclear sequences are presented and compared with the results of detailed theoretical calculations. New experimental data is also presented concerning the role of resonance effects in the ionization of Li-like O 5+ and Na-like Fe 15+ ions

  1. On the mechanism of water cluster-ion formation in carbon dioxide

    International Nuclear Information System (INIS)

    Warneck, P.; Rakshit, A.B.

    1981-01-01

    A drift chamber mass spectrometer has been used to study the formation of water cluster-ions in carbon dioxide containing traces of water vapour. The dominant reaction sequences were identified up to the fourth generation of daughter ions starting with CO 2 + . The subsequent reaction mechanism remains uncertain and several possibilities are discussed. The final ions are H 3 O + H 2 O and H 3 O + (H 2 O) 2 . The significance of the reaction schemes to the radiation chemistry of carbon dioxide is pointed out. (orig.)

  2. Thermo-mechanical design of the extraction grids for RF negative ion source at HUST

    Energy Technology Data Exchange (ETDEWEB)

    Zuo, Chen; Liu, Kaifeng, E-mail: kfliuhust@hust.edu.cn; Li, Dong; Mei, Zhiyuan; Zhang, Zhe; Chen, Dezhi

    2017-01-15

    Highlights: • An extraction system with cooling channels has been designed for HUST negative ion source. • Corresponding heat loads onto three grids has been used in thermo-mechanical analysis. • The analysis results could be very useful for driving the engineering design. - Abstract: Huazhong University of Science and Technology (HUST) is developing a small radio frequency negative ion source experimental setup to promote research on neutral beam injection ion sources. The extraction system for the negative ion source is the key component to obtain the negative ions. The extraction system is composed of three grids: the plasma grid, the extraction grid and the grounded grid. Each grid is impacted by different heat loads. As the grids have to fulfil specific requirements regarding ion extraction, beam optics, and thermo-mechanical issues, grid cooling systems have been included for ensuring reliable operation. This paper focuses on the thermo-hydraulic and thermo-mechanical design of the grids. Finite element calculations have been carried out to analyse the temperature and deformation of the grids under heat loads using the fluid dynamics code CFX. Based on these results, the cooling circuit design and cooling parameters are optimised to satisfy the grid requirements.

  3. Mechanism of ion exchange in zirconium phosphates. 17. Dehydration behavior of lithium ion exchanged phases

    Energy Technology Data Exchange (ETDEWEB)

    Clearfield, A; Pack, S P; Troup, J M [Ohio Univ., Athens (USA). Dept. of Chemistry

    1977-01-01

    The phases formed by the dehydration of lithium exchanged ..cap alpha..-zirconium phosphate, Zr(HP0/sub 4/).H/sub 2/0, were determined by a combination of X-ray, TGA and DTA studies. Samples containing 10, 20, 30 ..... 100% of theoretical lithium ion capacity were examined. The data are summarized in a phase diagram which however is not an equilibrium diagram because of the slowness of approach to equilibrium. The numerous phases obtained and the ease with which they rearrange indicates a high mobility for the incorporated cations. This suggested that ..cap alpha..-zirconium phosphate may behave as a solid electrolyte and indeed this was demonstrated by having it serve in that capacity in a small sodium sulfur battery.

  4. Fractal structures in two-metal electrodeposition systems I: Pb and Zn

    International Nuclear Information System (INIS)

    Nakouzi, Elias; Sultan, Rabih

    2011-01-01

    Pattern formation in two-metal electrochemical deposition has been scarcely explored in the chemical literature. In this paper, we report new experiments on zinc-lead fractal co-deposition. Electrodeposits are grown in special cells at a fixed large value of the zinc ion concentration, while that of the lead ion is increased gradually. A very wide diversity of morphologies are obtained and classified. Most of the deposited domains are almost exclusively Pb or Zn. But certain regions originating at the base cathode, ranging from a short grass alley to dense, grown-up bushes or shrubs, manifest a combined Pb-Zn composition. Composition is determined using scanning electron microscopy/energy dispersive x ray measurements as well atomic absorption spectroscopy. Pb domains are characterized by shiny leaf-like and dense deposits as well as flowers with round, balloon-like corollas. The Zn zones display a greater variety of morphologies such as thick trunks and thin and fine branching, in addition to minute ''cigar flower'' structures. The various morphologies are analyzed and classified from the viewpoint of fractal nature, characterized by the box-count fractal dimension. Finally, macroscopic spatial alternation between two different characteristic morphologies is observed under certain conditions.

  5. Mechanisms for the reduction of actinide ions by Geobacter sulfurreducens

    International Nuclear Information System (INIS)

    Renshaw, J.C.; Livens, F.R.; May, I.; Lloyd, J.R.

    2005-01-01

    Full text of publication follows: Three of the most problematic radioactive contaminants are the actinide elements uranium, neptunium and plutonium. All three pose considerable long-term environmental risks. The most stable environmental oxidation states of uranium and neptunium are VI and V, respectively, as the di-oxo cations [UO 2 ] 2+ and [NpO 2 ] + ; both are highly soluble and so are relatively mobile and biologically available in the environment. In similar conditions, plutonium mainly exists as Pu(IV), which forms a highly insoluble hydrous oxide, although is also environmentally stable in the more soluble III, V and VI oxidation states. The bio-reduction of U(VI) by anaerobic subsurface microorganisms has been the focus of much recent interest. Both Fe(III)- and sulfate-reducing bacteria have been shown to reduce soluble [U VI O 2 ] 2+ to insoluble U IV O 2 , with c-type cytochromes involved in electron transfer to the actinide. Such transformations offer a strategy for the bio-remediation of uranium contaminated groundwater and a potential mechanism for the bio-deposition of uranium ores. The mechanism of U(VI). reduction has important implications for the potential microbial reduction of transuranic elements with environmentally stable lower oxidation states. Reduction of mobile 237 Np(V) to Np(IV) and subsequent precipitation may be advantageous whilst remobilization of immobile Pu(IV) as more soluble Pu(III) species could have important environmental implications. Conversely, selective reduction might allow targeting of particular radionuclide species. The model anaerobic bacterium Geobacter sulfurreducens is typical of those found in contaminated subsurface environments and has been shown to reduce soluble [U VI O 2 ] 2+ to insoluble U IV O 2 . In the course of this study we use X-ray absorption spectroscopy (XAS) to show that G. sulfurreducens reduces U(VI) by a one-electron reduction, forming an unstable [UO 2 ] + species which subsequently

  6. Modification of mechanical properties of single crystal aluminum oxide by ion beam induced structural changes

    International Nuclear Information System (INIS)

    Ensinger, W.; Nowak, R.; Horino, Y.; Baba, K.

    1993-01-01

    The mechanical behaviour of ceramics is essentially determined by their surface qualities. As a surface modification technique, ion implantation provides the possibility to modify the mechanical properties of ceramics. Highly energetic ions are implanted into the near-surface region of a material and modify its composition and structure. Ions of aluminum, oxygen, nickel and tantalum were implanted into single-crystal α-aluminum oxide. Three-point bending tests showed that an increase in flexural strength of up to 30% could be obtained after implantation of aluminum and oxygen. Nickel and tantalum ion implantation increased the fracture toughness. Indentation tests with Knoop and Vickers diamonds and comparison of the lengths of the developed radial cracks showed that ion implantation leads to a reaction in cracking. The observed effects are assigned to radiation induced structural changes of the ceramic. Ion bombardment leads to radiation damage and formation of compressive stress. In case of tantalum implantation, the implanted near-surface zone becomes amorphous. These effects make the ceramic more resistant to fracture. (orig.)

  7. Aging Mechanisms of Electrode Materials in Lithium-Ion Batteries for Electric Vehicles

    Directory of Open Access Journals (Sweden)

    Cheng Lin

    2015-01-01

    Full Text Available Electrode material aging leads to a decrease in capacity and/or a rise in resistance of the whole cell and thus can dramatically affect the performance of lithium-ion batteries. Furthermore, the aging phenomena are extremely complicated to describe due to the coupling of various factors. In this review, we give an interpretation of capacity/power fading of electrode-oriented aging mechanisms under cycling and various storage conditions for metallic oxide-based cathodes and carbon-based anodes. For the cathode of lithium-ion batteries, the mechanical stress and strain resulting from the lithium ions insertion and extraction predominantly lead to structural disordering. Another important aging mechanism is the metal dissolution from the cathode and the subsequent deposition on the anode. For the anode, the main aging mechanisms are the loss of recyclable lithium ions caused by the formation and increasing growth of a solid electrolyte interphase (SEI and the mechanical fatigue caused by the diffusion-induced stress on the carbon anode particles. Additionally, electrode aging largely depends on the electrochemical behaviour under cycling and storage conditions and results from both structural/morphological changes and side reactions aggravated by decomposition products and protic impurities in the electrolyte.

  8. Mechanical-Electrochemical-Thermal Simulation of Lithium-Ion Cells

    Energy Technology Data Exchange (ETDEWEB)

    Santhanagopalan, Shriram; Zhang, Chao; Sprague, Michael A.; Pesaran, Ahmad

    2016-06-01

    Models capture the force response for single-cell and cell-string levels to within 15%-20% accuracy and predict the location for the origin of failure based on the deformation data from the experiments. At the module level, there is some discrepancy due to poor mechanical characterization of the packaging material between the cells. The thermal response (location and value of maximum temperature) agrees qualitatively with experimental data. In general, the X-plane results agree with model predictions to within 20% (pending faulty thermocouples, etc.); the Z-plane results show a bigger variability both between the models and test-results, as well as among multiple repeats of the tests. The models are able to capture the timing and sequence in voltage drop observed in the multi-cell experiments; the shapes of the current and temperature profiles need more work to better characterize propagation. The cells within packaging experience about 60% less force under identical impact test conditions, so the packaging on the test articles is robust. However, under slow-crush simulations, the maximum deformation of the cell strings with packaging is about twice that of cell strings without packaging.

  9. A unifying mechanism for cancer cell death through ion channel activation by HAMLET.

    Science.gov (United States)

    Storm, Petter; Klausen, Thomas Kjaer; Trulsson, Maria; Ho C S, James; Dosnon, Marion; Westergren, Tomas; Chao, Yinxia; Rydström, Anna; Yang, Henry; Pedersen, Stine Falsig; Svanborg, Catharina

    2013-01-01

    Ion channels and ion fluxes control many aspects of tissue homeostasis. During oncogenic transformation, critical ion channel functions may be perturbed but conserved tumor specific ion fluxes remain to be defined. Here we used the tumoricidal protein-lipid complex HAMLET as a probe to identify ion fluxes involved in tumor cell death. We show that HAMLET activates a non-selective cation current, which reached a magnitude of 2.74±0.88 nA within 1.43±0.13 min from HAMLET application. Rapid ion fluxes were essential for HAMLET-induced carcinoma cell death as inhibitors (amiloride, BaCl2), preventing the changes in free cellular Na(+) and K(+) concentrations also prevented essential steps accompanying carcinoma cell death, including changes in morphology, uptake, global transcription, and MAP kinase activation. Through global transcriptional analysis and phosphorylation arrays, a strong ion flux dependent p38 MAPK response was detected and inhibition of p38 signaling delayed HAMLET-induced death. Healthy, differentiated cells were resistant to HAMLET challenge, which was accompanied by innate immunity rather than p38-activation. The results suggest, for the first time, a unifying mechanism for the initiation of HAMLET's broad and rapid lethal effect on tumor cells. These findings are particularly significant in view of HAMLET's documented therapeutic efficacy in human studies and animal models. The results also suggest that HAMLET offers a two-tiered therapeutic approach, killing cancer cells while stimulating an innate immune response in surrounding healthy tissues.

  10. 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.

  11. Modification of the iron mechanical- and corrosion features by ion implantation in surface

    International Nuclear Information System (INIS)

    Baumvol, I.J.R.

    1981-01-01

    The physical mechanisms responsable by the tin ion implantation in the iron surface at moderated doses are studied. Several techniques are used such as alpha-particle Rutherford backscattering, conversion electron Moessbauer spectroscopy and scanning electron microscopy. (L.C.) [pt

  12. On-axis parallel ion speeds near mechanical and magnetic apertures in a helicon plasma device

    International Nuclear Information System (INIS)

    Sun Xuan; Cohen, S.A.; Scime, Earl E.; Miah, Mahmood

    2005-01-01

    Using laser-induced fluorescence, measurements of parallel ion velocities were made along the axis of a helicon-generated Ar plasma column whose radius was modified by spatially separated mechanical and magnetic apertures. Ion acceleration to supersonic speeds was observed 0.1-5 cm downstream of both aperture types, simultaneously generating two steady-state double layers (DLs) when both apertures were in place. The DL downstream of the mechanical aperture plate had a larger potential drop, Δφ DL =6-9 kT e , compared to the DL downstream of the magnetic aperture, Δφ DL ∼3 kT e . In the presheath region upstream of the mechanical aperture, the convective ion speed increased over a collisional distance; from stagnant at 4 cm from the aperture to the 1.4 times the sound speed at the aperture. The dependence of the free- and trapped-ion-velocity-distribution functions on the magnetic-field strength and mechanical-aperture electrical bias are also presented

  13. Studies of collision mechanisms in electron capture by slow multiply charged ions

    International Nuclear Information System (INIS)

    Gilbody, H B; McCullough, R W

    2004-01-01

    We review measurements based on translational energy spectroscopy which are being used to identify and assess the relative importance of the various collision mechanisms involved in one-electron capture by slow multiply charged ions in collisions with simple atoms and molecules

  14. Investigation of peptide based surface functionalization for copper ions detection using an ultrasensitive mechanical microresonator

    DEFF Research Database (Denmark)

    Cagliani, Alberto; Fischer, Lee MacKenzie; Rasmussen, Jakob Lyager

    2011-01-01

    In the framework of developing a portable label-free sensor for multi arrayed detection of heavy metals in drinking water, we present a mechanical resonator-based copper ions sensor, which uses a recently synthesized peptide Cysteine–Glycine–Glycine–Histidine (CGGH) and the l-Cysteine (Cys) peptide...

  15. The molecular mechanism of multi-ion conduction in K{sup +} channels

    Energy Technology Data Exchange (ETDEWEB)

    Gwan, J.F.

    2007-01-19

    Steered molecular dynamics (SMD) simulation method is applied to a fully solvated membrane-channel model for studying the ion permeation process in potassium channels. The channel model is based on the crystallographic structure of a prokaryotic K{sup +} channel- the KcsA channel, which is a representative of most known eukaryotic K{sup +} channels. It has long been proposed that the ion transportation in a conventional K{sup +}-channel follows a multi-ion fashion: permeating ions line in a queue in the channel pore and move in a single file through the channel. The conventional view of multi-ion transportation is that the electrostatic repulsion between ions helps to overcome the attraction between ions and the channel pore. In this study, we proposed two SMD simulation schemes, referred to 'the single-ion SMD' simulations and 'the multi-ion SMD' simulations. Concerted movements of a K-W-K sequence in the selectivity filter were observed in the single-ion SMD simulations. The analysis of the concerted movement reveals the molecular mechanism of the multi-ion transportation. It shows that, rather than the long range electrostatic interaction, the short range polar interaction is a more dominant factor in the multi-ion transportation. The polar groups which play a role in the concerted transportation are the water molecules and the backbone carbonyl groups of the selectivity filter. The polar interaction is sensitive to the relative orientation of the polar groups. By changing the orientation of a polar group, the interaction may switch from attractive to repulsive or vice versa. By this means, the energy barrier between binding sites in the selectivity filter can be switched on and off, and therefore the K{sup +} may be able to move to the neighboring binding site without an external driving force. The concerted transportation in the selectivity filter requires a delicate cooperation between K{sup +}, waters, and the backbone carbonyl groups. To

  16. Structure and dynamics of hydrated Fe(II) and Fe(III) ions. Quantum mechanical and molecular mechanical simulations

    International Nuclear Information System (INIS)

    Remsungnen, T.

    2002-11-01

    Classical molecular dynamics (MD) and combined em ab initio quantum mechanical/molecular mechanical molecular dynamics (QM/MM-MD) simulations have been performed to investigate structural, dynamical and energetical properties of Fe(II), and Fe(III) transition metal ions in aqueous solution. In the QM/MM-MD simulations the ion and its first hydration sphere were treated at the Hartree-Fock ab initio quantum mechanical level, while ab initio generated pair plus three-body potentials were employed for the remaining system. For the classical MD simulation the pair plus three-body potential were employed for all ion-water interactions. The coordination number of the first hydration shell is 100 % of 6 in both cases. The number of waters in the second hydration shell obtained from classical simulations are 13.4 and 15.1 for Fe(II) and Fe(III), respectively, while QM/MM-MD gives the values of 12.4 and 13.4 for Fe(II) and Fe(III). The energies of hydration obtained from MD and QM/MM-MD for Fe(II) are 520 and 500 kcal/mol, and for Fe(III) 1160 and 1100 kcal/mol respectively. The mean residence times of water in the second shell obtained from QM/MM-MD are 24 and 48 ps for Fe(II) and Fe(III), respectively. In contrast to the data obtained from classical MD simulation, the QM/MM-MD values are all in good agreement with the experimental data available. These investigations and results clearly indicate that many-body effects are essential for the proper description of all properties of the aqueous solution of both Fe(II) and Fe(III) ions. (author)

  17. Effects of metal-ion replacement on pyrazinamidase activity: A quantum mechanical study.

    Science.gov (United States)

    Khadem-Maaref, Mahmoud; Mehrnejad, Faramarz; Phirouznia, Arash

    2017-05-01

    Pyrazinamidase (PZase), a metalloenzyme, is responsible for acidic modification of pyrazinamide (PZA), a drug used in tuberculosis treatment. The metal coordination site of the enzyme is able to coordinate various divalent metal cofactors. Previous experimental studies have demonstrated that metal ions, such as Co 2+ , Mn 2+ , and Zn 2+ , are able to reactivate metal-depleted PZase, while others including Cu 2+ , Fe 2+ , and Mg 2+ , cannot restore activity. In this study, we investigated binding of various metal ions to the metal coordination site (MCS) of the enzyme using quantum mechanical calculations. We calculated the metal-ligand (residue) binding energy and the atomic partial charges in the presence of various ions. The results indicated that the tendency of alkaline earth metals to bind to PZase MCS is very low and not suitable for enzyme structural and catalytic function. In contrast, Co 2+ and Ni 2+ ions have very high binding affinity and are favorable to the structural and functional properties of the enzyme. Furthermore, we observed that the rate at which Ni 2+ , Co 2+ and Fe 2+ ions in PZase MCS polarize the OH bond of coordinated water molecules is much higher than the polarization rate created by other ions. This finding suggests that the coordination of Ni 2+ , Co 2+ , or Fe 2+ to PZase facilitates the deprotonation of coordinated water molecules to generate a nucleophile that catalyzes the enzymatic reaction. Copyright © 2017 Elsevier Inc. All rights reserved.

  18. A detailed examination of laser-ion acceleration mechanisms in the relativistic transparency regime using tracers

    Science.gov (United States)

    Stark, David J.; Yin, Lin; Albright, Brian J.; Nystrom, William; Bird, Robert

    2018-04-01

    We present a particle-in-cell study of linearly polarized laser-ion acceleration systems, in which we use both two-dimensional (2D) and three-dimensional (3D) simulations to characterize the ion acceleration mechanisms in targets which become transparent to the laser pulse during irradiation. First, we perform a target length scan to optimize the peak ion energies in both 2D and 3D, and the predictive capabilities of 2D simulations are discussed. Tracer analysis allows us to isolate the acceleration into stages of target normal sheath acceleration (TNSA), hole boring (HB), and break-out afterburner (BOA) acceleration, which vary in effectiveness based on the simulation parameters. The thinnest targets reveal that enhanced TNSA is responsible for accelerating the most energetic ions, whereas the thickest targets have ions undergoing successive phases of HB and TNSA (in 2D) or BOA and TNSA (in 3D); HB is not observed to be a dominant acceleration mechanism in the 3D simulations. It is in the intermediate optimal regime, both when the laser breaks through the target with appreciable amplitude and when there is enough plasma to form a sustained high density flow, that BOA is most effective and is responsible for the most energetic ions. Eliminating the transverse laser spot size effects by performing a plane wave simulation, we can isolate with greater confidence the underlying physics behind the ion dynamics we observe. Specifically, supplemented by wavelet and FFT analyses, we match the post-transparency BOA acceleration with a wave-particle resonance with a high-amplitude low-frequency electrostatic wave of increasing phase velocity, consistent with that predicted by the Buneman instability.

  19. Research on generation mechanism of single event transient current generated in the semiconductor using ion accelerator

    International Nuclear Information System (INIS)

    Hirao, Toshio

    2007-01-01

    Single-event upset (SEU) is triggered when an amount of electric charges induced by energetic ion incidence exceeds a value known as a critical charge in a very short time period. Therefore, accurate evaluation of electric charge and understanding of basic mechanism of SEU are necessary for the improvement of SEU torrance of electronic devices. In this paper, the collected charges for the single event transient current induced on semiconductor by heavy ion microbeams, and application to use microbeam for single event studies are presented. (author)

  20. [Reaction mechanism studies of heavy ion induced nuclear reactions]: Annual progress report, October 1987

    International Nuclear Information System (INIS)

    Mignerey, A.C.

    1987-10-01

    The experiments which this group has been working on seek to define the reaction mechanisms responsible for complex fragment emission in heavy ion reactions. The reactions studied are La + La, La + Al, and La + Cu at 46.8 MeV/u; and Ne + Ag and Ne + Au reactions at 250 MeV/u. Another experimental program at the Oak Ridge Hollifield Heavy Ion Research Facility (HHIRF) is designed to measure the excitation energy division between reaction products in asymmetric deep inelastic reactions. A brief description is given of progress to date, the scientific goals of this experiment and the plastic phoswich detectors developed for this experiment

  1. Influence of implantation of three metallic ions on the mechanical properties of two polymers

    Energy Technology Data Exchange (ETDEWEB)

    Swain, M.V. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Lindfield, NSW (Australia). Div. of Applied Physics; Perry, A.J. [Australian National Univ., Canberra, ACT (Australia); Treglio, J.R.

    1996-12-31

    Ion implantation of poly ethylene terephthalate (PET) and polystyrene (PS) with various high energy metallic ions at 70 kV to dose of 3 x 10{sup 16} ions/cm 2 have been made. Measurements of the mechanical properties of the polymers before and after implantation have been made with an ultra microindentation system using both pointed and a small (2 nm) radiused spherical tipped indenter. Significant differences have been observed between the Ti-B dual implanted surfaces and those of the Au and W implanted surfaces. For both the PET and PS the resistance to indenter penetration at very low loads was much greater for the Ti-B dual implanted surfaces. The estimated hardness and modulus versus depth of penetration for both indenters shows that the spherical indenter produces more consistent and less controversial values that are somewhat lower than the optimistic estimates from pointed indenters. 8 refs., 2 fig.

  2. Influence of implantation of three metallic ions on the mechanical properties of two polymers

    Energy Technology Data Exchange (ETDEWEB)

    Swain, M V [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Lindfield, NSW (Australia). Div. of Applied Physics; Perry, A J [Australian National Univ., Canberra, ACT (Australia); Treglio, J R

    1997-12-31

    Ion implantation of poly ethylene terephthalate (PET) and polystyrene (PS) with various high energy metallic ions at 70 kV to dose of 3 x 10{sup 16} ions/cm 2 have been made. Measurements of the mechanical properties of the polymers before and after implantation have been made with an ultra microindentation system using both pointed and a small (2 nm) radiused spherical tipped indenter. Significant differences have been observed between the Ti-B dual implanted surfaces and those of the Au and W implanted surfaces. For both the PET and PS the resistance to indenter penetration at very low loads was much greater for the Ti-B dual implanted surfaces. The estimated hardness and modulus versus depth of penetration for both indenters shows that the spherical indenter produces more consistent and less controversial values that are somewhat lower than the optimistic estimates from pointed indenters. 8 refs., 2 fig.

  3. Atomic Scale Picture of the Ion Conduction Mechanism in Tetrahedral Network of Lanthanum Barium Gallate

    Energy Technology Data Exchange (ETDEWEB)

    Jalarvo, Niina H [ORNL; Gourdon, Olivier [ORNL; Bi, Zhonghe [ORNL; Gout, Delphine J [ORNL; Ohl, Michael E [ORNL; Paranthaman, Mariappan Parans [ORNL

    2013-01-01

    Combined experimental study of impedance spectroscopy, neutron powder diffraction and quasielastic neutron scattering was performed to shed light into the atomic scale ion migration processes in proton and oxide ion conductor; La0.8Ba1.2GaO3.9 . This material consist of tetrahedral GaO4 units, which are rather flexible and rocking motion of these units promotes the ionic migration process. The oxide ion (vacancy) conduction takes place on channels along c axis, involving a single elementary step, which occurs between adjacent tetrahedron (inter-tetrahedron jump). The proton conduction mechanism consists of intra-tetrahedron and inter-tetrahedron elementary processes. The intra-tetrahedron proton transport is the rate-limiting process, with activation energy of 0.44 eV. The rocking motion of the GaO4 tetrahedron aids the inter-tetrahedral proton transport, which has the activation energy of 0.068 eV.

  4. Formation mechanism of SiC in C-Si system by ion irradiation

    International Nuclear Information System (INIS)

    Hishita, Shunichi; Aizawa, Takashi; Suehara, Shigeru; Haneda, Hajime

    2003-01-01

    The irradiation effects of 2 MeV He + , Ne + , and Ar + ions on the film structure of the C-Si system were investigated with RHEED and XPS. The ion dose dependence of the SiC formation was kinetically analyzed. The SiC formation at moderate temperature was achieved by 2 MeV ion irradiation when the thickness of the initial carbon films was appropriate. The evolution process of the SiC film thickness consisted of the 3 stages. The first stage was the steep increase of the SiC, and was governed by the inelastic collision. The second was the gentle increase of the SiC, and was governed by the diffusion. The last was the decrease of the SiC, and was caused by the sputtering. The formation mechanism of the SiC was discussed. (author)

  5. Saturation mechanism of decaying ion temperature gradient driven turbulence with kinetic electrons

    International Nuclear Information System (INIS)

    Idomura, Yasuhiro

    2016-01-01

    We present full-f gyrokinetic simulations of the ion temperature gradient driven (ITG) turbulence including kinetic electrons. By comparing decaying ITG turbulence simulations with adiabatic and kinetic electron models, an impact of kinetic electrons on the ITG turbulence is investigated. It is found that significant electron transport occurs even in the ITG turbulence, and both ion and electron temperature profiles are relaxed. In steady states, both cases show upshifts of nonlinear critical ion temperature gradients from linear ones, while their saturation mechanisms are qualitatively different. In the adiabatic electron case, the ITG mode is stabilized by turbulence driven zonal flows. On the other hand, in the kinetic electron case, passing electrons transport shows fine resonant structures at mode rational surfaces, which generate corrugated density profiles. Such corrugated density profiles lead to fine radial electric fields following the neoclassical force balance relation. The resulting E × B shearing rate greatly exceeds the linear growth rate of the ITG mode. (author)

  6. Inelastic collisions of heavy ions and their reaction mechanisms; Collisions inelastiques d'ions lourds et mecanismes de reaction

    Energy Technology Data Exchange (ETDEWEB)

    Scarpaci, J.A

    2004-06-01

    This work is dedicated to the study of inelastic collisions of heavy ions. Most experiments took place in Ganil facility. The 2 first chapters introduce the notion of inelastic scattering of heavy ions. The third chapter deals with target excitation, giant monopolar or dipolar or quadrupolar resonances ant the multi-phonon concept and presents relevant experimental results from the Ca{sup 40} + Ca{sup 40} nuclear reaction at 50 MeV/A. The fourth chapter is dedicated to nuclear processes involved in inelastic collisions: pick-up break-up mechanisms, the angular distribution of emitted protons and the towing mode. These notions are applied to the reaction Zr{sup 90}(Ar{sup 40}, Ar{sup 40}'). The fifth chapter presents the solving of the time dependent Schroedinger equation (TDSE) applied to the wave function of a particle plunged in a variable potential. TDSE solving is applied to the break-up of Be{sup 11}. These calculations have been validated by comparing them with experimental results from the nuclear reaction Ti{sup 48}(Be{sup 11}, Be{sup 10} + n + {gamma}) that is described in the chapter 6. The last chapter presents the advantages of inelastic scattering considered as a tool to study exotic nuclei.

  7. Characterization and modeling of the thermal mechanics of lithium-ion battery cells

    International Nuclear Information System (INIS)

    Oh, Ki-Yong; Epureanu, Bogdan I.

    2016-01-01

    Highlights: • Thermal swelling shape is different than Li-ion intercalation swelling shape. • Nonuniform temperature and gap creation leads to a convex shape at free conditions. • Important parameters of thermal mechanics are estimated through experiments. • A coupled thermal-structural analysis accurately predicts thermal swelling shape. • Nonuniform temperature still plays a critical role at pack conditions. - Abstract: The thermal mechanics of Lithium-ion (Li-ion) batteries is explored with a focus on thermal swelling. Experiments show for the first time that the swelling shape of prismatic battery cells due to temperature variations is significantly different from that due to Li-ion intercalation in unconstrained conditions. In contrast to uniform and orthotropic Li-ion intercalation swelling in a direction perpendicular to electrodes, the nonuniform temperature distribution in the jellyroll and the gaps/voids between electrodes result in distinguishable different swelling shapes. A unique coupled thermal-structural analysis with a simple, but efficient 3-D finite numerical model is proposed to investigate the impact of temperature variations on the thermal behaviors of battery cells. Anisotropic heat conduction and temperature dependency of the coefficient of thermal expansion are taken into account and found to have an impact on temperature distribution and thermal expansion. Experimental validation of the proposed model clearly demonstrates that the coupled thermal-structural analysis with the proposed model can predict accurately the thermal swelling at unconstrained conditions. The solution at pack (constrained) conditions shows that the nonuniform temperature distribution of the jellyroll still plays a critical role for the thermal swelling shape, although the gaps/voids do not occur because of the constraints from spacers in the pack, suggesting that the estimation of core temperature is important. Such an accurate model, able to estimate cell

  8. CORONAL SOURCES, ELEMENTAL FRACTIONATION, AND RELEASE MECHANISMS OF HEAVY ION DROPOUTS IN THE SOLAR WIND

    Energy Technology Data Exchange (ETDEWEB)

    Weberg, Micah J. [PhD Candidate in Space Science, Department of Atmospheric, Oceanic, and Space Sciences, University of Michigan, 2134A Space Research Building, 2455 Hayward Street, Ann Arbor, MI 48109-2143, USA. (United States); Lepri, Susan T. [Associate Professor, Department of Atmospheric, Oceanic, and Space Sciences, University of Michigan, 2429 Space Research Building, 2455 Hayward Street, Ann Arbor, MI 48109-2143, USA. (United States); Zurbuchen, Thomas H., E-mail: mjweberg@umich.edu, E-mail: slepri@umich.edu, E-mail: thomasz@umich.edu [Professor, Space Science and Aerospace Engineering, Associate Dean for Entrepreneurship Senior Counselor of Entrepreneurship Education, Department of Atmospheric, Oceanic, and Space Sciences, University of Michigan, 2431 Space Research Building, 2455 Hayward Street, Ann Arbor, MI 48109-2143, USA. (United States)

    2015-03-10

    The elemental abundances of heavy ions (masses larger than He) in the solar wind provide information about physical processes occurring in the corona. Additionally, the charge state distributions of these heavy ions are sensitive to the temperature profiles of their respective source regions in the corona. Heavy ion dropouts are a relatively new class of solar wind events identified by both elemental and ionic charge state distributions. We have shown that their origins lie in large, closed coronal loops where processes such as gravitational settling dominate and can cause a mass-dependent fractionation pattern. In this study we consider and attempt to answer three fundamental questions concerning heavy ion dropouts: (1) 'where are the source loops located in the large-scale corona?'; (2) 'how does the interplay between coronal processes influence the end elemental abundances?'; and (3) 'what are the most probable release mechanisms'? We begin by analyzing the temporal and spatial variability of heavy ion dropouts and their correlation with heliospheric plasma and magnetic structures. Next we investigate the ordering of the elements inside dropouts with respect to mass, ionic charge state, and first ionization potential. Finally, we discuss these results in the context of the prevailing solar wind theories and the processes they posit that may be responsible for the release of coronal plasma into interplanetary space.

  9. Generation of macroscopic magnetic-field-aligned electric fields by the convection surge ion acceleratiom mechanism

    International Nuclear Information System (INIS)

    Mauk, B.H.

    1989-01-01

    The ''convection surge'' computer model presented previously (concerning the dramatic, nonadiabatic, magnetic-field-aligned energization of ions near the Earth's geosynchronous orbit in the presence of strong, transient, magnetic-field-perpendicular inductive electric fields) has been extended to include the self-consistent generation of magnetic-field-aligned electric fields. The field-aligned electric potential is obtained by imposing the quasi-neutrality condition using approximated electron distribution forms. The ions are forced to respond self-consistently to this potential. It is found that field-aligned potential drops up to 1 to 10 kV can be generated depending on electron temperatures and on the mass species of the ions. During transient periods of the process, these large potential drops can be confined to a few degrees of magnetic latitude at positions close to the magnetic equator. Anomalous, sometimes dramatic, additional magnetic-field-aligned ion acceleration also occurs in part as a result of a quasi-resonance between the parallel velocities of some ions and the propagating electric potential fronts. It is speculated that the convection surge mechanism could be a key player in the transient, field-aligned electromagnetic processes observed to operate within the middle (e.g., geosynchronous) magnetosphere. copyright American Geophysical Union 1989

  10. 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

  11. CORONAL SOURCES, ELEMENTAL FRACTIONATION, AND RELEASE MECHANISMS OF HEAVY ION DROPOUTS IN THE SOLAR WIND

    International Nuclear Information System (INIS)

    Weberg, Micah J.; Lepri, Susan T.; Zurbuchen, Thomas H.

    2015-01-01

    The elemental abundances of heavy ions (masses larger than He) in the solar wind provide information about physical processes occurring in the corona. Additionally, the charge state distributions of these heavy ions are sensitive to the temperature profiles of their respective source regions in the corona. Heavy ion dropouts are a relatively new class of solar wind events identified by both elemental and ionic charge state distributions. We have shown that their origins lie in large, closed coronal loops where processes such as gravitational settling dominate and can cause a mass-dependent fractionation pattern. In this study we consider and attempt to answer three fundamental questions concerning heavy ion dropouts: (1) 'where are the source loops located in the large-scale corona?'; (2) 'how does the interplay between coronal processes influence the end elemental abundances?'; and (3) 'what are the most probable release mechanisms'? We begin by analyzing the temporal and spatial variability of heavy ion dropouts and their correlation with heliospheric plasma and magnetic structures. Next we investigate the ordering of the elements inside dropouts with respect to mass, ionic charge state, and first ionization potential. Finally, we discuss these results in the context of the prevailing solar wind theories and the processes they posit that may be responsible for the release of coronal plasma into interplanetary space

  12. Manipulating Adsorption-Insertion Mechanisms in Nanostructured Carbon Materials for High-Efficiency Sodium Ion Storage

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Shen [College of Chemistry and Molecular Sciences, Hubei Key Laboratory of Electrochemical Power Sources, Wuhan University, Wuhan 430072 China; Xiao, Lifen [College of Chemistry, Central China Normal University, Wuhan 430079 China; Pacific Northwest National Laboratory, Richland WA 99352 USA; Sushko, Maria L. [Pacific Northwest National Laboratory, Richland WA 99352 USA; Han, Kee Sung [Pacific Northwest National Laboratory, Richland WA 99352 USA; Shao, Yuyan [Pacific Northwest National Laboratory, Richland WA 99352 USA; Yan, Mengyu [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 China; Liang, Xinmiao [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Science, Wuhan 430071 China; Mai, Liqiang [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 China; Feng, Jiwen [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Science, Wuhan 430071 China; Cao, Yuliang [College of Chemistry and Molecular Sciences, Hubei Key Laboratory of Electrochemical Power Sources, Wuhan University, Wuhan 430072 China; Ai, Xinping [College of Chemistry and Molecular Sciences, Hubei Key Laboratory of Electrochemical Power Sources, Wuhan University, Wuhan 430072 China; Yang, Hanxi [College of Chemistry and Molecular Sciences, Hubei Key Laboratory of Electrochemical Power Sources, Wuhan University, Wuhan 430072 China; Liu, Jun [Pacific Northwest National Laboratory, Richland WA 99352 USA

    2017-05-12

    Hard carbon is one of the most promising anode materials for sodium-ion batteries, but the low coulombic efficiency is still a key barrier. In this paper we synthesized a series of nanostructured hard carbon materials with controlled architectures. Using a combination of in-situ XRD mapping, ex-situ NMR, EPR, electrochemical techniques and simulations, an “adsorption-intercalation” (A-I) mechanism is established for Na ion storage. During the initial stages of Na insertion, Na ions adsorb on the defect sites of hard carbon with a wide adsorption energy distribution, producing a sloping voltage profile. In the second stage, Na ions intercalate into graphitic layers with suitable spacing to form NaCx compounds similar to the Li ion intercalation process in graphite, producing a flat low voltage plateau. The cation intercalation with a flat voltage plateau should be enhanced and the sloping region should be avoided. Guided by this knowledge, non-porous hard carbon material has been developed which has achieved high reversible capacity and coulombic efficiency to fulfill practical application.

  13. Mechanical response of nitrogen ion implanted NiTi shape memory alloy

    International Nuclear Information System (INIS)

    Kucharski, S.; Levintant-Zayonts, N.; Luckner, J.

    2014-01-01

    Highlights: • The effect of ion implantation process on shape memory alloy was investigated. • In the implantation process both surface layer and bulk material are modified. • The microstructure is modified and superelastic effect is destroyed in surface layer. • The parameters of superelastic phenomena are changed in bulk material. - Abstract: In the paper a change of material (mechanical) parameters of NiTi shape memory alloy subjected to ion implantation treatment is investigated. The spherical indentation tests in micro- and nano-scale and tension test have been performed to study an evolution of local superelastic effect in different volumes of nonimplanted and nitrogen ion implanted NiTi alloy. The differential scanning calorimetry has been applied to measure the change of characteristic temperatures due to ion implantation treatment. The structure of implanted material has been investigated using electron microscopy technique. It has been found that the ion implantation process changes the properties not only in a thin surface layer but also in bulk material. In the layer the pseudoelastic effect is destroyed, and in the substrate is preserved, however its parameters are changed. The characteristic phase transformation temperatures in substrate are also modified

  14. Ion transport properties of mechanically stable symmetric ABCBA pentablock copolymers with quaternary ammonium functionalized midblock

    Energy Technology Data Exchange (ETDEWEB)

    Ertem, S. Piril [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Caire, Benjamin R. [Department of Chemical and Biological Engineering, Colorado School of Mines, Golden Colorado 80401; Tsai, Tsung-Han [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Zeng, Di [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Vandiver, Melissa A. [Department of Chemical and Biological Engineering, Colorado School of Mines, Golden Colorado 80401; Kusoglu, Ahmet [Energy Conversion Group, Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley California 94720; Seifert, Soenke [Energy Conversion Group, Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley California 94720; Hayward, Ryan C. [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Weber, Adam Z. [Energy Conversion Group, Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley California 94720; Herring, Andrew M. [Department of Chemical and Biological Engineering, Colorado School of Mines, Golden Colorado 80401; Coughlin, E. Bryan [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Liberatore, Matthew W. [Department of Chemical Engineering Department, University of Toledo, 2801 W Bancroft Street MS305 Toledo Ohio 43606

    2017-02-07

    Anion exchange membranes (AEMs) are a promising class of materials for applications that require selective ion transport, such as fuel cells, water purification, and electrolysis devices. Studies of structure–morphology–property relationships of ion-exchange membranes revealed that block copolymers exhibit improved ion conductivity and mechanical properties due to their microphase-separated morphologies with well-defined ionic domains. While most studies focused on symmetric diblock or triblock copolymers, here, the first example of a midblock quaternized pentablock AEM is presented. A symmetric ABCBA pentablock copolymer was functionalized to obtain a midblock brominated polymer. Solution cast films were then quaternized to obtain AEMs with resulting ion exchange capacities (IEC) ranging from 0.4 to 0.9 mmol/g. Despite the relatively low IEC, the polymers were highly conductive (up to 60 mS/cm Br2 at 90 8C and 95%RH) with low water absorption (<25 wt %) and maintained adequate mechanical properties in both dry and hydrated conditions. Xray scattering and transmission electron microscopy (TEM) revealed formation of cylindrical non-ionic domains in a connected ionic phase.

  15. Variation in shoot tolerance mechanisms not related to ion toxicity in barley

    KAUST Repository

    Tilbrook, Joanne

    2017-09-27

    Soil salinity can severely reduce crop growth and yield. Many studies have investigated salinity tolerance mechanisms in cereals using phenotypes that are relatively easy to measure. The majority of these studies measured the accumulation of shoot Na+ and the effect this has on plant growth. However, plant growth is reduced immediately after exposure to NaCl before Na+ accumulates to toxic concentrations in the shoot. In this study, nondestructive and destructive measurements are used to evaluate the responses of 24 predominately Australian barley (Hordeum vulgare L.) lines at 0, 150 and 250mMNaCl. Considerable variation for shoot tolerance mechanisms not related to ion toxicity (shoot ion-independent tolerance) was found, withsome lines being able to maintain substantial growth rates under salt stress, whereas others stopped growing. Hordeum vulgare spp. spontaneum accessions and barley landraces predominantly had the best shoot ion independent tolerance, although two commercial cultivars, Fathom and Skiff, also had high tolerance. The tolerance of cv. Fathom may be caused by a recent introgression from H. vulgare L. spp. spontaneum. This study shows that the most salt-tolerant barley lines are those that contain both shoot ion-independent tolerance and the ability to exclude Na+ from the shoot (and thus maintain high K+: Na+ ratios).

  16. Variation in shoot tolerance mechanisms not related to ion toxicity in barley

    KAUST Repository

    Tilbrook, Joanne; Schilling, Rhiannon K.; Berger, Bettina; Garcia, Alexandre F.; Trittermann, Christine; Coventry, Stewart; Rabie, Huwaida; Brien, Chris; Nguyen, Martin; Tester, Mark A.; Roy, Stuart J.

    2017-01-01

    Soil salinity can severely reduce crop growth and yield. Many studies have investigated salinity tolerance mechanisms in cereals using phenotypes that are relatively easy to measure. The majority of these studies measured the accumulation of shoot Na+ and the effect this has on plant growth. However, plant growth is reduced immediately after exposure to NaCl before Na+ accumulates to toxic concentrations in the shoot. In this study, nondestructive and destructive measurements are used to evaluate the responses of 24 predominately Australian barley (Hordeum vulgare L.) lines at 0, 150 and 250mMNaCl. Considerable variation for shoot tolerance mechanisms not related to ion toxicity (shoot ion-independent tolerance) was found, withsome lines being able to maintain substantial growth rates under salt stress, whereas others stopped growing. Hordeum vulgare spp. spontaneum accessions and barley landraces predominantly had the best shoot ion independent tolerance, although two commercial cultivars, Fathom and Skiff, also had high tolerance. The tolerance of cv. Fathom may be caused by a recent introgression from H. vulgare L. spp. spontaneum. This study shows that the most salt-tolerant barley lines are those that contain both shoot ion-independent tolerance and the ability to exclude Na+ from the shoot (and thus maintain high K+: Na+ ratios).

  17. Mechanism of nuclear dissipation in fission and heavy-ion reactions

    International Nuclear Information System (INIS)

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

    1986-01-01

    Recent advances in the theoretical understanding of nuclear dissipation at intermediate excitation energies are reviewed, with particular emphasis on a new surface-plus-window mechanism that involves interactions of either one or two nucleons with the moving nuclear surface and also, for dumbbell-like shapes encountered in fission and heavy-ion reactions, the transfer of nucleons through the window separating the two portions of the system. This novel dissipation mechanism provides a unified macroscopic description of such diverse phenomena as widths of isoscalar giant quadrupole and giant octupole resonances, mean fission-fragment kinetic energies and excitation energies, dynamical thresholds for compound-nucleus formation, enhancement in neutron emission prior to fission, and widths of mass and charge distributions in deep-inelastic heavy-ion reactions. 41 refs., 8 figs

  18. Mechanical properties of silicon oxynitride thin films prepared by low energy ion beam assisted deposition

    International Nuclear Information System (INIS)

    Shima, Yukari; Hasuyama, Hiroki; Kondoh, Toshiharu; Imaoka, Yasuo; Watari, Takanori; Baba, Koumei; Hatada, Ruriko

    1999-01-01

    Silicon oxynitride (SiO x N y ) films (0.1-0.7 μm) were produced on Si (1 0 0), glass and 316L stainless steel substrates by ion beam assisted deposition (IBAD) using Si evaporation and the concurrent bombardment with a mixture of 200 eV N 2 and Ar, or O 2 and Ar ions. Adhesion was evaluated by pull-off tests. Film hardness was measured by a nanoindentation system with AFM. The measurement of internal stress in the films was carried out by the Stoney method. The film structure was examined by GXRD. XPS was employed to measure the composition of films and to analyze the chemical bonds. The dependence of mechanical properties on the film thickness and the processing temperature during deposition was studied. Finally, the relations between the mechanical properties of the films and the correlation with corrosion-protection ability of films are discussed and summarized

  19. New approach to the elucidation of corrosion mechanism of ceramics by the ion implantation

    International Nuclear Information System (INIS)

    Saito, J.; Hayashi, K.; Tachi, Y.; Kano, S.

    1998-08-01

    Ceramics possessing high temperature strength are promising materials for the structural application in severe environment. The development of ceramics has been carried out in order to use them in FBR environment such as liquid sodium. In particular, corrosion behavior of ceramics has been investigated to improve the corrosion resistance in liquid sodium. However, the corrosion mechanism of ceramics was not comprehended in detail even now. Because corrosion products which were deposited on the surface of test pieces during corrosion test and played an important role in corrosion behavior, were not detected distinctly after thr corrosion test. In this study, an ion implantation technique was applied to understand the corrosion mechanism of ceramics in stead of the conventional corrosion test. Sodium ions were implanted in ceramics (100 keV, 1.9 x 10 17 ions/cm 2 ) and then heat treatment was performed at either 923 K or 823 K for 36 ks in argon atmosphere. After that, products on the surface were analyzed using SEM and TEM observation and X-ray diffraction. Consequently, the corrosion products were not identified exactly, but their presence was confirmed on the surface. It was caused by the minute amount of corrosion products. In future, it is necessary to carry systematically out the implantation and heat treatment under various conditions. Therefore, it seems that the beneficial information will be obtained to understand the corrosion mechanism of ceramics. (author)

  20. The molecular mechanism of ion-dependent gating in secondary transporters.

    Directory of Open Access Journals (Sweden)

    Chunfeng Zhao

    2013-10-01

    Full Text Available LeuT-like fold Na-dependent secondary active transporters form a large family of integral membrane proteins that transport various substrates against their concentration gradient across lipid membranes, using the free energy stored in the downhill concentration gradient of sodium ions. These transporters play an active role in synaptic transmission, the delivery of key nutrients, and the maintenance of osmotic pressure inside the cell. It is generally believed that binding of an ion and/or a substrate drives the conformational dynamics of the transporter. However, the exact mechanism for converting ion binding into useful work has yet to be established. Using a multi-dimensional path sampling (string-method followed by all-atom free energy simulations, we established the principal thermodynamic and kinetic components governing the ion-dependent conformational dynamics of a LeuT-like fold transporter, the sodium/benzyl-hydantoin symporter Mhp1, for an entire conformational cycle. We found that inward-facing and outward-facing states of Mhp1 display nearly the same free energies with an ion absent from the Na2 site conserved across the LeuT-like fold transporters. The barrier separating an apo-state from inward-facing or outward-facing states of the transporter is very low, suggesting stochastic gating in the absence of ion/substrate bound. In contrast, the binding of a Na2 ion shifts the free energy stabilizing the outward-facing state and promoting substrate binding. Our results indicate that ion binding to the Na2 site may also play a key role in the intracellular thin gate dynamics modulation by altering its interactions with the transmembrane helix 5 (TM5. The Potential of Mean Force (PMF computations for a substrate entrance displays two energy minima that correspond to the locations of the main binding site S1 and proposed allosteric S2 binding site. However, it was found that substrate's binds to the site S1 ∼5 kcal/mol more favorable

  1. Push-and-stick mechanism for charged and excited small cluster emission under ion bombardment

    International Nuclear Information System (INIS)

    Bitensky, I.S.; Parilis, E.S.; Wojciechowski, I.A.

    1992-01-01

    The mechanism for the formation, excitation and ionization of small clusters emitted under ion bombardment is discussed. It is shown that the increased degree of ionization for the transition metal dimers, trimers and tetramers can be explained by the existence of an additional effective channel for their formation, namely the associative ionization process. A simple estimate shows that the sticking together of a fast cascade atom and the pushed out surface atom is 30-40 times more effective for dimer formation, than the recombination of two fast atoms. This push-and-stick mechanism of cluster formation could also be effective for the formation of trimers and tetramers. (orig.)

  2. Charge collection mechanisms in MOS/SOI transistors irradiated by energetic heavy ions

    International Nuclear Information System (INIS)

    Musseau, O.; Leray, J.L.; Ferlet, V.; Umbert, A.; Coic, Y.M.; Hesto, P.

    1991-01-01

    We have investigated with both experimental and numerical methods (Monte Carlo and drift-diffusion models) various charge collection mechanisms in NMOS/SOI transistors irradiated by single energetic heavy ions. Our physical interpretations of data emphasize the influence of various parasitic structures of the device. Two charge collection mechanisms are detailed: substrate funneling in buried MOS capacitor and latching of the parasitic bipolar transistor. Based on carrier transport and charge collection, the sensitivity of future scaled down CMOS/SOI technologies is finally discussed

  3. Amplification mechanism of ion-ripple lasers and its possible application

    International Nuclear Information System (INIS)

    Chen, K.R.; Dawson, J.M.

    1992-05-01

    The IRL is an advanced scheme for generating coherent high-power radiation, in which a relativistic electron beam propagates obliquely through an ion ripple in a plasma. Its amplification mechanism is described by a low gain theory while the linear growth rate is given by the dispersion relation. The efficiency of the lasing is determined by the nonlinear saturation mechanism discussed. By proper choice of device parameters, sources of microwaves, optical, and perhaps even x-rays can be made. The availability of tunable sources for wide wavelength regimes, coherence and high-power, as well as lower cost and simplicity of equipment are emphasized

  4. Identification of mechanisms in heavy ion reactions by measurement of angular correlations

    International Nuclear Information System (INIS)

    Carlin Filho, N.

    1987-01-01

    The identification of reaction mechanisms in light heavy-ion collisions has been performed within the framework of the three body kinematics, by means of angular correlation measurements. The 16 O+ 27 Al, 16 +O+ 28 Si and 10 B+ 27 Al reactions were investigated at Laboratory bombarding energies of 64 MeV, 64 and 48 MeV, respectively. Contributions of transfer-reemission and projectile sequential decay mechanisms were identified by the analysis of the relative kinetic energy of the final state components, excitation energies of the system at the intermediate stages, and also by means of fits to theoretical predictions for the angular correlations. (author) [pt

  5. Efficient Simulation and Abuse Modeling of Mechanical-Electrochemical-Thermal Phenomena in Lithium-Ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Santhanagopalan, Shriram [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Smith, Kandler A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Graf, Peter A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Pesaran, Ahmad A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Zhang, Chao [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Lamb, Joshua [Sandia National Laboratories; Abraham, Daniel [Argonne National Laboratory; Dees, Dennis [Argonne National Laboratory; Yao, Pierre [Argonne National Laboratory

    2017-08-08

    NREL's Energy Storage team is exploring the effect of mechanical crush of lithium ion cells on their thermal and electrical safety. PHEV cells, fresh as well as ones aged over 8 months under different temperatures, voltage windows, and charging rates, were subjected to destructive physical analysis. Constitutive relationship and failure criteria were developed for the electrodes, separator as well as packaging material. The mechanical models capture well, the various modes of failure across different cell components. Cell level validation is being conducted by Sandia National Laboratories.

  6. Are clusters important in understanding the mechanisms in atmospheric pressure ionization? Part 1: Reagent ion generation and chemical control of ion populations.

    Science.gov (United States)

    Klee, Sonja; Derpmann, Valerie; Wißdorf, Walter; Klopotowski, Sebastian; Kersten, Hendrik; Brockmann, Klaus J; Benter, Thorsten; Albrecht, Sascha; Bruins, Andries P; Dousty, Faezeh; Kauppila, Tiina J; Kostiainen, Risto; O'Brien, Rob; Robb, Damon B; Syage, Jack A

    2014-08-01

    It is well documented since the early days of the development of atmospheric pressure ionization methods, which operate in the gas phase, that cluster ions are ubiquitous. This holds true for atmospheric pressure chemical ionization, as well as for more recent techniques, such as atmospheric pressure photoionization, direct analysis in real time, and many more. In fact, it is well established that cluster ions are the primary carriers of the net charge generated. Nevertheless, cluster ion chemistry has only been sporadically included in the numerous proposed ionization mechanisms leading to charged target analytes, which are often protonated molecules. This paper series, consisting of two parts, attempts to highlight the role of cluster ion chemistry with regard to the generation of analyte ions. In addition, the impact of the changing reaction matrix and the non-thermal collisions of ions en route from the atmospheric pressure ion source to the high vacuum analyzer region are discussed. This work addresses such issues as extent of protonation versus deuteration, the extent of analyte fragmentation, as well as highly variable ionization efficiencies, among others. In Part 1, the nature of the reagent ion generation is examined, as well as the extent of thermodynamic versus kinetic control of the resulting ion population entering the analyzer region.

  7. Li-ion Battery Separators, Mechanical Integrity and Failure Mechanisms Leading to Soft and Hard Internal Shorts.

    Science.gov (United States)

    Zhang, Xiaowei; Sahraei, Elham; Wang, Kai

    2016-09-01

    Separator integrity is an important factor in preventing internal short circuit in lithium-ion batteries. Local penetration tests (nail or conical punch) often produce presumably sporadic results, where in exactly similar cell and test set-ups one cell goes to thermal runaway while the other shows minimal reactions. We conducted an experimental study of the separators under mechanical loading, and discovered two distinct deformation and failure mechanisms, which could explain the difference in short circuit characteristics of otherwise similar tests. Additionally, by investigation of failure modes, we provided a hypothesis about the process of formation of local "soft short circuits" in cells with undetectable failure. Finally, we proposed a criterion for predicting onset of soft short from experimental data.

  8. A Au82Si18 liquid metal field-ion emitter for the production of Si ions: fundamental properties and mechanisms

    International Nuclear Information System (INIS)

    Bischoff, L.; Mair, G.L.R.; Aidinis, C.J.; Londos, C.A.; Akhmadaliev, C.; Ganetsos, Th.

    2004-01-01

    Focused silicon beams are useful for direct write applications, e.g., lithography on silicon without the undesirable effect of substrate contamination. However, since pure silicon is not amenable to liquid metal ion source (LMIS) manufacture, a suitable alloy containing silicon has to be produced. This paper covers almost all fundamental aspects of a Au 82 Si 18 eutectic, including the most detailed beam mass spectra reported to date of a AuSi source. A finding worthy of note in this investigation, manifested in the behaviour of the ion extraction voltage with temperature, is the abnormal behaviour of the surface tension coefficient of the alloy with temperature. An important deduction from this work, however, concerns the mechanisms responsible for the creation of doubly charged ions: reasons of self-consistency indicate that while Si 2+ is directly field evaporated, Au 2+ must form by the post-ionization of Au + . Finally, two different mechanisms seem to co-exist, as far as the production of cluster ions is concerned. While for cluster ions containing only a few atoms some sort of surface field-ionization mechanism might be responsible for their creation, for larger clusters, a droplet break-up mechanism, possibly by ion capture, seems very likely

  9. Low temperature mechanical dissipation of an ion-beam sputtered silica film

    International Nuclear Information System (INIS)

    Martin, I W; Craig, K; Bassiri, R; Hough, J; Robie, R; Rowan, S; Nawrodt, R; Schwarz, C; Harry, G; Penn, S; Reid, S

    2014-01-01

    Thermal noise arising from mechanical dissipation in oxide mirror coatings is an important limit to the sensitivity of future gravitational wave detectors, optical atomic clocks and other precision measurement systems. Here, we present measurements of the temperature dependence of the mechanical dissipation of an ion-beam sputtered silica film between 10 and 300 K. A dissipation peak was observed at 20 K and the low temperature dissipation was found to have significantly different characteristics than observed for bulk silica and silica films deposited by alternative techniques. These results are important for better understanding the underlying mechanisms of mechanical dissipation, and thus thermal noise, in the most commonly-used reflective coatings for precision measurements. (paper)

  10. Transduction of Repetitive Mechanical Stimuli by Piezo1 and Piezo2 Ion Channels

    Directory of Open Access Journals (Sweden)

    Amanda H. Lewis

    2017-06-01

    Full Text Available Several cell types experience repetitive mechanical stimuli, including vein endothelial cells during pulsating blood flow, inner ear hair cells upon sound exposure, and skin cells and their innervating dorsal root ganglion (DRG neurons when sweeping across a textured surface or touching a vibrating object. While mechanosensitive Piezo ion channels have been clearly implicated in sensing static touch, their roles in transducing repetitive stimulations are less clear. Here, we perform electrophysiological recordings of heterologously expressed mouse Piezo1 and Piezo2 responding to repetitive mechanical stimulations. We find that both channels function as pronounced frequency filters whose transduction efficiencies vary with stimulus frequency, waveform, and duration. We then use numerical simulations and human disease-related point mutations to demonstrate that channel inactivation is the molecular mechanism underlying frequency filtering and further show that frequency filtering is conserved in rapidly adapting mouse DRG neurons. Our results give insight into the potential contributions of Piezos in transducing repetitive mechanical stimuli.

  11. A study on the ranges of low energy ions in biological samples and its mechanism of biological effects

    International Nuclear Information System (INIS)

    Lu Ting; Xie Liqing; Li Junping; Xia Ji

    1993-01-01

    The seeds of wheat and bean are irradiated by iron ion beam with energy 100 keV. The RBS spectra of the samples are observed and the ranges and distributions of the iron ions in the wheat and bean are calculated theoretically by means of Monte Carlo method. The results of theory and experiment are compared and the mechanism of biological effects induced by ion is discussed

  12. 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

  13. Effect of an anisotropic escape mechanism on elliptic flow in relativistic heavy-ion collisions

    Science.gov (United States)

    Jaiswal, Amaresh; Bhaduri, Partha Pratim

    2018-04-01

    We study the effect of an anisotropic escape mechanism on elliptic flow in relativistic heavy-ion collisions. We use the Glauber model to generate initial conditions and ignore hydrodynamic expansion in the transverse direction. We employ the Beer-Lambert law to allow for the transmittance of produced hadrons in the medium and calculate the anisotropy generated due to the suppression of particles traversing through the medium. To separate non-flow contribution due to surface bias effects, we ignore hydrodynamic expansion in the transverse direction and consider purely longitudinal boost-invariant expansion. We calculate the transverse momentum dependence of elliptic flow, generated from an anisotropic escape mechanism due to surface bias effects, for various centralities in √{sN N}=200 GeV Au +Au collisions at the Relativistic Heavy Ion Collider and √{sN N}=2.76 TeV Pb +Pb collisions at the Large Hadron Collider. We find that the surface bias effects make a sizable contribution to the total elliptic flow observed in heavy-ion collisions, indicating that the viscosity of the QCD matter extracted from hydrodynamic simulations may be underestimated.

  14. MECHANICAL PROPERTIES OF PVA NANOFIBER TEXTILES WITH INCORPORATED NANODIAMONDS, COPPER AND SILVER IONS

    Directory of Open Access Journals (Sweden)

    Kateřina Indrová

    2015-02-01

    Full Text Available The unique properties of nanotextiles based on poly(vinyl-alcohol (PVA manufactured using electrospinning method have been known and exploited for many years. Recently, the enrichment of nanofiber textiles with nanoparticles, such as ions or nanodiamond particles (NDP, has become a popular way to modify the textile mechanical, chemical and physical properties. The aim of our study is to investigate the macromechanical properties of PVA nanotextiles enriched with NDP, silver (Ag and copper (Cu ions. The nanofiber textiles of a various surface weight were prepared from 16% PVA solution, while glyoxal and phosphoric acid were used as cross-linking agents. The copper and silver ions were diluted in aqueous solution and NDP were dispersed into the fibers by ultrasound homogenization. All but one set of samples were exposed to the temperature of 140 °C for 10 minutes. The samples without thermal stabilization exhibited significantly lower elastic stiffness and tensile strength. Moreover, the results of tensile testing indicate that the addition of dispersed nanoparticles has a minor effect on the mechanical properties of textiles and contributes rather to their reinforcement. On the other hand, the lack of thermal stabilization results in a poor interconnection of individual nanofiber layers and the non-stabilized textiles exhibit a lower elastic stiffness and reduced tensile strength.

  15. 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

  16. Long-term degradation of chemical structures and mechanical properties in polyethylene induced by ion-beam irradiation

    International Nuclear Information System (INIS)

    Oka, T.; Hama, Y.

    2004-01-01

    The long-term degradation in polyethylene irradiated with ion beams was studied. We found the changes of the chemical structures and the mechanical properties with time storage. S-PE has a good resistance to ion-beam irradiation because the crystallinity and density were very low. (author)

  17. Incorporation mechanism for doping of metal ions into a passivating film at the lithium/thionyl chloride interface

    Science.gov (United States)

    Danilov, V. G.; Shikin, V. I.

    1993-05-01

    Effects of iron and titanium ions on corrosion processes of lithium in thionyl chloride electrolytes have been studied. Laws for the growth of the passivating film on the type and concentration of doped ions have been established, and equations for these are suggested. A stepwise mechanism of dopant incorporation into passivating film structure is presented.

  18. Incorporation mechanism for doping of metal ions into a passive film at the lithium/thionyl chloride interface

    Energy Technology Data Exchange (ETDEWEB)

    Danilov, V.G. (Siberian Inst. of Tech., Krasnoyarsk (Russian Federation). Lab. of Electrochemistry); Shilkin, V.I. (Siberian Inst. of Tech., Krasnoyarsk (Russian Federation). Lab. of Electrochemistry)

    1993-05-01

    Effects of iron and titanium ions on corrosion processes of lithium in thionyl chloride electrolytes have been studied. Laws for the growth of the passivating film on the type and concentration of doped ions have been established, and equations for these are suggested. A stepwise mechanism of dopant incorporation into passivating film structure is presented. (orig.)

  19. Reaction mechanism and spectroscopy of transfer reactions induced by heavy ions

    International Nuclear Information System (INIS)

    Lemaire, M.-C.

    1977-01-01

    The specific features displayed by data on heavy ion elastic and inelastic angular distributions are discussed, and their physical origin is pointed out from semi-classical calculations in counterpart ambiguities in the phenomenological description of the optical potential appear. Two nucleon transfer reactions induced by heavy ions successfully point out important contributions of a two-step process where the transfer is proceeding via target and residual nucleus inelastic excitation. At incident energies not too high above the Coulomb barrier, such process produces clear shape changes between different final state angular distributions. At higher incident energy, the angular distributions are forward peaked and display oscillations for both mechanisms. As for four-nucleon transfer reactions, the existing data suggest that the nucleons are well transferred into a Os relative

  20. Mechanical properties of tungsten following rhenium ion and helium plasma exposure

    Directory of Open Access Journals (Sweden)

    C.S. Corr

    2017-08-01

    Full Text Available Mechanical properties of Tungsten (W samples irradiated with 2 MeV Rhenium (Re ions and helium (He plasma were investigated using nanoindentation. It was found that there was an increase in hardness for all samples following separate irradiation with both Re ion and He plasma. A slight increase in hardness was obtained for combined exposures. A comparable increase in hardness was observed for a pure He plasma with a sample temperature of 473 K and 1273 K. Optical interferometry was employed to compare surface modification of the samples. Grazing incidence small angle x-ray scattering confirmed He nano-bubble formation of approximately 1 nm diameter in the higher temperature sample, which was not observed with samples at the lower temperatures.

  1. Study of a new mechanism of reaction between heavy ions: the quasi-fission

    International Nuclear Information System (INIS)

    Ngo, Christian.

    1975-01-01

    A new type of deep inelastic reaction between two heavy ions (quasi-fission) has been discovered and studied when the product Z 1 Z 2 between the two ion atomic numbers is greater than or approximately equal to 1500. This mechanism is mainly binary, the total kinetic energy of the products is the one expected for a binary fission giving the same products, most of the products have masses very close to the initial masses, the angular distribution of the light products is peaked slightly forwards the projectile grazing angle (when the bombarding energy is not too much above the interaction barrier), at last, the total cross section for this process is a large part of the total reaction cross section. These results have been interpreted on the one hand using a static model and on the other hand using a dynamic model. An interaction potential between the two heavy ions has been derived using the energy density formalism within the framework of the sudden approximation. It has been shown that the nuclear part satisfies a scaling law which allows to factorize it in one term which depends on the two ion masses and another term which is independent of the system (universal function). Using the critical distance notion, the static calculations reproduce the quasi-fission cross sections. With regards to the dynamical calculations, the previously described potential has been introduced within the framework of Deubler and Dietrich's model. It is a classical dynamical calculation including dissipative terms. The vibration degrees of freedom of each ion have been explicitely taken into account. This calculation nicely reproduces both the energy loss in the relative motion, the focusing effect of the angular distribution, and the quasi-fission cross sections [fr

  2. Mechanical characterization and modeling for anodes and cathodes in lithium-ion batteries

    Science.gov (United States)

    Wang, Lubing; Yin, Sha; Zhang, Chao; Huan, Yong; Xu, Jun

    2018-07-01

    Mechanical properties of electrode materials have significant influence over electrochemical properties as well as mechanical integrity of lithium-ion battery cells. Here, anode and cathode in a commercially available 18650 NCA (Nickel Cobalt Aluminum Oxide)/graphite cell were comprehensively studied by tensile tests considering material anisotropy, SOC (state of charge), strain rate and electrolyte content. Results showed that the mechanical properties of both electrodes were highly dependent on strain rate and electrolyte content; however, anode was SOC dependent while cathode was not. Besides, coupled effects of strain rate and SOC of anodes were also discussed. SEM (scanning electron microscope) images of surfaces and cross-sections of electrodes showed the fracture morphology. In addition, mechanical behavior of Cu foil separated from anode with different SOC values were studied and compared. Finally, constitutive models of electrodes considering both strain rate and anisotropy effects were established. This study reveals the relationship between electrochemical dependent mechanical behavior of the electrodes. The established mechanical models of electrodes can be applied to the numerical computation of battery cells. Results are essential to predict the mechanical responses as well as the deformation of battery cell under various loading conditions, facilitating safer battery design and manufacturing.

  3. Cell Membrane Transport Mechanisms: Ion Channels and Electrical Properties of Cell Membranes.

    Science.gov (United States)

    Kulbacka, Julita; Choromańska, Anna; Rossowska, Joanna; Weżgowiec, Joanna; Saczko, Jolanta; Rols, Marie-Pierre

    2017-01-01

    Cellular life strongly depends on the membrane ability to precisely control exchange of solutes between the internal and external (environmental) compartments. This barrier regulates which types of solutes can enter and leave the cell. Transmembrane transport involves complex mechanisms responsible for passive and active carriage of ions and small- and medium-size molecules. Transport mechanisms existing in the biological membranes highly determine proper cellular functions and contribute to drug transport. The present chapter deals with features and electrical properties of the cell membrane and addresses the questions how the cell membrane accomplishes transport functions and how transmembrane transport can be affected. Since dysfunctions of plasma membrane transporters very often are the cause of human diseases, we also report how specific transport mechanisms can be modulated or inhibited in order to enhance the therapeutic effect.

  4. Degradation Mechanisms of Electrochemically Cycled Graphite Anodes in Lithium-ion Cells

    Science.gov (United States)

    Bhattacharya, Sandeep

    This research is aimed at developing advanced characterization methods for studying the surface and subsurface damage in Li-ion battery anodes made of polycrystalline graphite and identifying the degradation mechanisms that cause loss of electrochemical capacity. Understanding microstructural aspects of the graphite electrode degradation mechanisms during charging and discharging of Li-ion batteries is of key importance in order to design durable anodes with high capacity. An in-situ system was constructed using an electrochemical cell with an observation window, a large depth-of-field digital microscope and a micro-Raman spectrometer. It was revealed that electrode damage by removal of the surface graphite fragments of 5-10 mum size is the most intense during the first cycle that led to a drastic capacity drop. Once a solid electrolyte interphase (SEI) layer covered the electrode surface, the rate of graphite particle loss decreased. Yet, a gradual loss of capacity continued by the formation of interlayer cracks adjacent to SEI/graphite interfaces. Deposition of co-intercalation compounds, LiC6, Li2CO3 and Li2O, near the crack tips caused partial closure of propagating graphite cracks during cycling and reduced the crack growth rate. Bridging of crack faces by delaminated graphite layers also retarded crack propagation. The microstructure of the SEI layer, formed by electrochemical reduction of the ethylene carbonate based electrolyte, consisted of ˜5-20 nm sized crystalline domains (containing Li2CO3, Li2O 2 and nano-sized graphite fragments) dispersed in an amorphous matrix. During the SEI formation, two regimes of Li-ion diffusion were identified at the electrode/electrolyte interface depending on the applied voltage scan rate (dV/dt). A low Li-ion diffusion coefficient ( DLi+) at dV/dt microscopic information to the electrochemical performance, novel Li2CO3-coated electrodes were fabricated that were durable. The SEI formed on pre-treated electrodes reduced

  5. Microscale failure mechanisms leading to internal short circuit in Li-ion batteries under complex loading scenarios

    NARCIS (Netherlands)

    Sahraei, E.; Bosco, E.; Dixon, B.; Lai, B.

    2016-01-01

    One of the least understood mechanisms of Li-ion batteries is the development of internal short circuits under mechanical loads. In this study, a micro mechanical model is developed and subjected to various loading scenarios to understand the sequence of failure in the multi-layer, multi-material

  6. EFFECT OF FLUORINE AND CHLORINE IONS ON THE REACTION SINTERING OF MECHANICALLY ACTIVATED ZIRCON-ALUMINA MIXTURE

    Directory of Open Access Journals (Sweden)

    R. Zamani Foroshani

    2015-09-01

    Full Text Available The aim of this work was to study the effect of fluorine and chlorine ions on the formation of mullite during the reaction sintering of mechanically activated zircon-alumina powder mixture. The results showed that mechanical activation of zirconalumina powder mixture for 20 h led to grain refinement and partial amorphization. In the presence of fluorine and chlorine ions, complete formation of mullite in the mechanically activated sample occurred after 2 h of reaction sintering at 1300oC and 1400oC, respectively. In the sample lacking fluorine and chlorine ions, mullitization was not completed even after 2 h of reaction sintering at 1400oC. It was concluded that presence of fluorine and chlorine ions enhance the dissociation of zircon and formation of mullite during the reaction sintering of mechanically activated zircon-alumina mixture.

  7. Study of UO2 mechanical behaviour implanted with helium ions using X-ray micro-diffraction and mechanical modeling

    International Nuclear Information System (INIS)

    Ibrahim, Marcelle

    2015-01-01

    In order to study the mechanical behavior of nuclear fuel during direct long term storage, UO 2 polycrystals were implanted with Helium ions at a thin surface layer (1 μm approximately), which leads to stress and strain fields in the layer. Strains were measured, at the grains scale, by X-ray micro-diffraction, using synchrotron radiation (ESRF). Image analysis methods were developed for an automatic analysis of the large number of diffraction patterns. Applying statistical tools to Laue patterns allows an automatic detection of low quality images, and enhances the measurement precision. At low layer thickness, the mechanical interaction between grains can be neglected. At higher thickness, experimental results showed a higher mechanical interaction near grain boundaries that can be modeled using finite elements method. Geostatistical tools were used to quantify these interactions. The swelling and the elastic constants in the implanted layer can be estimated through the measured strains on a large number of grains with different orientations. This work allows the determination of the swelling of nuclear fuel in irradiation conditions, as well as the modification of its elastic properties. (author) [fr

  8. Mechanisms of material removal and mass transport in focused ion beam nanopore formation

    Energy Technology Data Exchange (ETDEWEB)

    Das, Kallol, E-mail: das7@illinois.edu; Johnson, Harley T., E-mail: htj@illinois.edu [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, 1206 West Green Street, MC-244, Urbana, Illinois 61801 (United States); Freund, Jonathan B., E-mail: jbfreund@illinois.edu [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, 1206 West Green Street, MC-244, Urbana, Illinois 61801 (United States); Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, 306 Talbot Laboratory, MC-236, 104 South Wright Street Urbana, Illinois 61801 (United States)

    2015-02-28

    Despite the widespread use of focused ion beam (FIB) processing as a material removal method for applications ranging from electron microscope sample preparation to nanopore processing for DNA sequencing, the basic material removal mechanisms of FIB processing are not well understood. We present the first complete atomistic simulation of high-flux FIB using large-scale parallel molecular dynamics (MD) simulations of nanopore fabrication in freestanding thin films. We focus on the root mechanisms of material removal and rearrangement and describe the role of explosive boiling in forming nanopores. FIB nanopore fabrication is typically understood to occur via sputter erosion. This can be shown to be the case in low flux systems, where individual ion impacts are sufficiently separated in time that they may be considered as independent events. But our detailed MD simulations show that in high flux FIB processing, above a threshold level at which thermal effects become significant, the primary mechanism of material removal changes to a significantly accelerated, thermally dominated process. Under these conditions, the target is heated by the ion beam faster than heat is conducted away by the material, leading quickly to melting, and then continued heating to nearly the material critical temperature. This leads to explosive boiling of the target material with spontaneous bubble formation and coalescence. Mass is rapidly rearranged at the atomistic scale, and material removal occurs orders of magnitude faster than would occur by simple sputtering. While the phenomenology is demonstrated computationally in silicon, it can be expected to occur at lower beam fluxes in other cases where thermal conduction is suppressed due to material properties, geometry, or ambient thermal conditions.

  9. Mechanism of central ion exchange between ytterbium(3) and neodymium(3) diethylenetriaminepentaacetate in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Nikitenko, S.I.; Martynenko, L.I.; Pechurova, N.I. (Moskovskij Gosudarstvennyj Univ. (USSR))

    1984-11-01

    Kinetics and exchange mechanism in the NdL/sup 2 -/Yb/sup 3 +/ system, where L/sup 5 -/ is diethylene triaminepentaacetate-ion, are studied spectrophotometrically. It is shown that in the pH range of 4.0-4.5 the exchange occurs according to dissociative mechanism with the formation of biprotonated intermediate complexes. In the pH 4.5-5.0 range the formation of monoprotonated inermediates is possible. At pH values of 5.0-6.0 the exchange is mainly performed according to the associative mechanism with the formation of biprotonated intermediate complexes. In the pH 4.5-5.0 range the formation of monoprotonated intermediates is possible. At pH values of 5.0-6.0 the exchange is mainly performed according to the associative mechanism. It is found that under conditions of the experiment the binuclear complex of the ((YbL)Nd)/sup +/ composition is the association mechanism exchange product. It is also formed in the case of mixing YbL/sup 2 -/ and Nd/sup 3 +/. Rate constants of exchange according to dissociative mechanism and constant of intraspheric isomerization ((NdL)Yb)/sup +/ ..-->.. ((YbL)Nd)/sup +/ are calculated. Stability constants of ((NdL)Yb)/sup +/ and ((YbL)Nd)/sup +/ are determined.

  10. The different Li/Na ion storage mechanisms of nano Sb2O3 anchored on graphene

    Science.gov (United States)

    Li, Hai; Qian, Kun; Qin, Xianying; Liu, Dongqing; Shi, Ruiying; Ran, Aihua; Han, Cuiping; He, Yan-Bing; Kang, Feiyu; Li, Baohua

    2018-05-01

    The antimony oxide/reduced graphene oxide (Sb2O3/rGO) nanocomposites are used as anode of Li-ion and Na-ion batteries (LIBs and NIBs). However, it is unclear about Li-ion and Na-ion storage mechanism in Sb2O3/rGO nanocomposites. Herein, the conversion-alloying mechanisms of Sb2O3/rGO anodes for Na-ion and Li-ion storage are comparatively studied with a combined in-situ XRD and quasi in-situ XPS method. The distinct behaviours are monitored during (de)lithiation and (de)sodiation with respect to crystal structure and chemical composition evolution. It is evidenced that the Na-ion can be easily transported to the inner part of the Sb2O3, where the Li-ion almost cannot reach, leading to a fully transformation during sodiation. In addition, the conversion reaction product of amorphous Na2O display their better chemical stability than amorphous Li2O during electrochemical cycles, which contribute to a stable and long cycling life of NIBs. This work gain insight into the high-capacity anodes with conversation-alloying mechanism for NIBs.

  11. The ion dependent change in the mechanism of charge storage of chemically preintercalated bilayered vanadium oxide electrodes

    Science.gov (United States)

    Clites, Mallory; Pomerantseva, Ekaterina

    2017-08-01

    Chemical pre-intercalation is a soft chemistry synthesis approach that allows for the insertion of inorganic ions into the interlayer space of layered battery electrode materials prior to electrochemical cycling. Previously, we have demonstrated that chemical pre-intercalation of Na+ ions into the structure of bilayered vanadium oxide (δ-V2O5) results in record high initial capacities above 350 mAh g-1 in Na-ion cells. This performance is attributed to the expanded interlayer spacing and predefined diffusion pathways achieved by the insertion of charge-carrying ions. However, the effect of chemical pre-intercalation of δ-V2O5 has not been studied for other ion-based systems beyond sodium. In this work, we report the effect of the chemically preintercalated alkali ion size on the mechanism of charge storage of δ- MxV2O5 (M = Li, Na, K) in Li-ion, Na-ion, and K-ion batteries, respectively. The interlayer spacing of the δ-MxV2O5 varied depending on inserted ion, with 11.1 Å achieved for Li-preintercalated δ-V2O5, 11.4 Å for Na-preintercalated δ- V2O5, and 9.6 Å for K-preintercalated δ-V2O5. Electrochemical performance of each material has been studied in its respective ion-based system (δ-LixV2O5 in Li-ion cells, δ-NaxV2O5 in Na-ion cells, and δ-KxV2O5 in K-ion cells). All materials demonstrated high initial capacities above 200 mAh g-1. However, the mechanism of charge storage differed depending on the charge-carrying ion, with Li-ion cells demonstrating predominantly pseudocapacitive behavior and Naion and K-ion cells demonstrating a significant portion of capacity from diffusion-limited intercalation processes. In this study, the combination of increased ionic radii of the charge-carrying ions and decreased synthesized interlayer spacing of the bilayered vanadium oxide phase correlates to an increase in the portion of capacity attributed diffusion-limited charge-storage processes.

  12. Insights into the activation mechanism of calcium ions on the sericite surface: A combined experimental and computational study

    Science.gov (United States)

    Hu, Yuehua; He, Jianyong; Zhang, Chenhu; Zhang, Chenyang; Sun, Wei; Zhao, Dongbo; Chen, Pan; Han, Haisheng; Gao, Zhiyong; Liu, Runqing; Wang, Li

    2018-01-01

    The adsorption behaviors and the activation mechanism of calcium ions (Ca2+) on sericite surface have been investigated by Zeta potential measurements, Fourier transform infrared spectroscopy (FT-IR), Micro-flotation tests and First principle calculations. Zeta potential tests results show that the sericite surface potential increases due to the adsorption of calcium ions on the surface. Micro-flotation tests demonstrate that sericite recovery remarkably rise by 10% due to the calcium ions activation on sericite surface. However, the characteristic adsorption bands of calcium oleate do not appear in the FT-IR spectrum, suggesting that oleate ions just physically adsorb on the sericite surface. The first principle calculations based on the density functional theory (DFT) further reveals the microscopic adsorption mechanism of calcium ions on the sericite surface before and after hydration.

  13. Research and development regarding the retaining mechanism of lead ions in industrial wastewaters using natural matter with remarkable properties

    Science.gov (United States)

    Pop, A.; Iepure, G.

    2017-05-01

    The paper shows the studying of the retaining mechanism of lead ions in industrial wastewaters through static and dynamic ion exchange mechanisms. In the experimental determinations of the lead metallic ion retention, metallurgical industry wastewaters have been used on samples of volcanic zeolite tuff (from Barsana, Maramures), samples that show a high concentration of lead ions and an acidic pH. The results showed that both the static and the dynamic ion exchanges ended with good results and they were consistent with other studies conducted on clinoptilolite zeolite tuff. Knowing that the industrial sector is an important source of environment pollution and degradation and being aware of what a serious threat the heavy metal pollution is, due to their high toxicity and stability, the experiment may find applicability in different aspects, both in the Maramures mining basing as well as in the worldwide controlling and directing of the polluting processes.

  14. Heavy-ion radiobiology: new approaches to delineate mechanisms underlying enhanced biological effectiveness

    Science.gov (United States)

    Blakely, E. A.; Kronenberg, A.; Chatterjee, A. (Principal Investigator)

    1998-01-01

    Shortly after the discovery of polonium and radium by Marie Curie and her husband and colleague, Pierre Curie, it was learned that exposure to these alpha-particle emitters produced deleterious biological effects. The mechanisms underlying the increased biological effectiveness of densely ionizing radiations, including alpha particles, neutrons and highly energetic heavy charged particles, remain an active area of investigation. In this paper, we review recent advances in several areas of the radiobiology of these densely ionizing radiations, also known as heavy ions. Advances are described in the areas of DNA damage and repair, chromosome aberrations, mutagenesis, neoplastic transformation in vitro, genomic instability, normal tissue radiobiology and carcinogenesis in vivo. We focus on technical innovations, including novel applications of pulsed-field gel electrophoresis, fluorescence in situ hybridization (FISH), linkage analysis, and studies of gene expression and protein expression. We also highlight the use of new cellular and animal systems, including those with defined DNA repair deficiencies, as well as epithelial cell model systems to assess neoplastic transformation both in vitro and in vivo. The studies reviewed herein have had a substantial impact on our understanding of the genotoxic effects of heavy ions as well as their distinct effects on tissue homeostasis. The use of these radiations in cancer therapy is also discussed. The use of both heavy-ion and proton therapy is on the upswing in several centers around the world, due to their unique energy deposition characteristics that enhance the therapeutic effect and help reduce damage to normal tissue.

  15. Extraction mechanism of U(VI) ions by N,N-dialkylamides

    International Nuclear Information System (INIS)

    Descouls, N.; Musikas, C.

    1985-09-01

    N,N dialkylamides are good extractants of UO 2 2+ ions from the nitric solutions obtained on dissolution of nuclear irradiated fuels. The extraction mechanism of U(VI) ions proved to be rather complex. Two species were identified by spectrophotometry in the organic phase: UO 2 (NO 3 ) 2 L 2 (1) and UO 2 (NO 3 ) 3 HL (2), L standing for the amide molecule. The complex (1) is typical for neutral molecules extractants. However, when log D(U(VI)) is plotted against log C (amide), the slope of the straight line obtained is greater than 2, which suggests that amide (1) interactions take place in the 2sup(nd) coordination sphere of U(VI) ions. The crystal structure of (1) where L is the N,N-di-n-butyldodecanamide show that Van der Waals interactions occur between the dodecyl chains of two (1) molecules. The complex (2) is characteristic for anionic extractants. For the amide molecules studied, it takes place in very acidic media. In order to investigate the nature of the UO 2 (NO 3 ) 3 HL complex, the infra-red shift of νc=0 vibration were compared in the following compounds: free amide, HNO 3 - L, phenol L, UO 2 (NO 3 ) 3 HL. The results are discussed. 14 refs [fr

  16. Understanding the mechanism of DNA deactivation in ion therapy of cancer cells: hydrogen peroxide action*

    Science.gov (United States)

    Piatnytskyi, Dmytro V.; Zdorevskyi, Oleksiy O.; Perepelytsya, Sergiy M.; Volkov, Sergey N.

    2015-11-01

    Changes in the medium of biological cells under ion beam irradiation has been considered as a possible cause of cell function disruption in the living body. The interaction of hydrogen peroxide, a long-lived molecular product of water radiolysis, with active sites of DNA macromolecule was studied, and the formation of stable DNA-peroxide complexes was considered. The phosphate groups of the macromolecule backbone were picked out among the atomic groups of DNA double helix as a probable target for interaction with hydrogen peroxide molecules. Complexes consisting of combinations including: the DNA phosphate group, H2O2 and H2O molecules, and Na+ counterion, were considered. The counterions have been taken into consideration insofar as under the natural conditions they neutralise DNA sugar-phosphate backbone. The energy of the complexes have been determined by considering the electrostatic and the Van der Waals interactions within the framework of atom-atom potential functions. As a result, the stability of various configurations of molecular complexes was estimated. It was shown that DNA phosphate groups and counterions can form stable complexes with hydrogen peroxide molecules, which are as stable as the complexes with water molecules. It has been demonstrated that the formation of stable complexes of H2O2-Na+-PO4- may be detected experimentally by observing specific vibrations in the low-frequency Raman spectra. The interaction of H2O2 molecule with phosphate group of the double helix backbone can disrupt DNA biological function and induce the deactivation of the cell genetic apparatus. Thus, the production of hydrogen peroxide molecules in the nucleus of living cells can be considered as an additional mechanism by which high-energy ion beams destroy tumour cells during ion beam therapy. Contribution to the Topical Issue "COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy", edited by Andrey Solov'yov, Nigel Mason, Gustavo García, Eugene

  17. Constitutive behavior and progressive mechanical failure of electrodes in lithium-ion batteries

    Science.gov (United States)

    Zhang, Chao; Xu, Jun; Cao, Lei; Wu, Zenan; Santhanagopalan, Shriram

    2017-07-01

    The electrodes of lithium-ion batteries (LIB) are known to be brittle and to fail earlier than the separators during an external crush event. Thus, the understanding of mechanical failure mechanism for LIB electrodes (anode and cathode) is critical for the safety design of LIB cells. In this paper, we present experimental and numerical studies on the constitutive behavior and progression of failure in LIB electrodes. Mechanical tests were designed and conducted to evaluate the constitutive properties of porous electrodes. Constitutive models were developed to describe the stress-strain response of electrodes under uniaxial tensile and compressive loads. The failure criterion and a damage model were introduced to model their unique tensile and compressive failure behavior. The failure mechanism of LIB electrodes was studied using the blunt rod test on dry electrodes, and numerical models were built to simulate progressive failure. The different failure processes were examined and analyzed in detail numerically, and correlated with experimentally observed failure phenomena. The test results and models improve our understanding of failure behavior in LIB electrodes, and provide constructive insights on future development of physics-based safety design tools for battery structures under mechanical abuse.

  18. Simultaneously Coupled Mechanical-Electrochemical-Thermal Simulation of Lithium-Ion Cells: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chao; Santhanagopalan, Shriram; Sprague, Michael A.; Pesaran, Ahmad A.

    2016-08-01

    Understanding the combined electrochemical-thermal and mechanical response of a system has a variety of applications, for example, structural failure from electrochemical fatigue and the potential induced changes of material properties. For lithium-ion batteries, there is an added concern over the safety of the system in the event of mechanical failure of the cell components. In this work, we present a generic multi-scale simultaneously coupled mechanical-electrochemical-thermal model to examine the interaction between mechanical failure and electrochemical-thermal responses. We treat the battery cell as a homogeneous material while locally we explicitly solve for the mechanical response of individual components using a homogenization model and the electrochemical-thermal responses using an electrochemical model for the battery. A benchmark problem is established to demonstrate the proposed modeling framework. The model shows the capability to capture the gradual evolution of cell electrochemical-thermal responses, and predicts the variation of those responses under different short-circuit conditions.

  19. Mechanical sensitivity of Piezo1 ion channels can be tuned by cellular membrane tension

    Science.gov (United States)

    Lewis, Amanda H; Grandl, Jörg

    2015-01-01

    Piezo1 ion channels mediate the conversion of mechanical forces into electrical signals and are critical for responsiveness to touch in metazoans. The apparent mechanical sensitivity of Piezo1 varies substantially across cellular environments, stimulating methods and protocols, raising the fundamental questions of what precise physical stimulus activates the channel and how its stimulus sensitivity is regulated. Here, we measured Piezo1 currents evoked by membrane stretch in three patch configurations, while simultaneously visualizing and measuring membrane geometry. Building on this approach, we developed protocols to minimize resting membrane curvature and tension prior to probing Piezo1 activity. We find that Piezo1 responds to lateral membrane tension with exquisite sensitivity as compared to other mechanically activated channels and that resting tension can drive channel inactivation, thereby tuning overall mechanical sensitivity of Piezo1. Our results explain how Piezo1 can function efficiently and with adaptable sensitivity as a sensor of mechanical stimulation in diverse cellular contexts. DOI: http://dx.doi.org/10.7554/eLife.12088.001 PMID:26646186

  20. Mechanical properties considerations for use of epoxy insulators and bonded joints in neutral beam ion sources

    International Nuclear Information System (INIS)

    Doll, D.W.; Trester, P.W.; Staley, H.G.

    1981-10-01

    In the Doublet III (D-III) neutral beam injectors, cast, rigid-epoxy insulators are joined to the AISI 304 stainless steel corona rings with semi-rigid epoxy adhesive. Selected mechanical properties of these materials were measured between 11 0 C and 65 0 C, well below the material temperature limits, to identify the trends and to confirm adequate mechanical strength for the insulators. Significant creep deformation was measured at 22 0 C. Empirical relationships were developed to predict long term strain over a range of stress and temperature of design interest. Delayed failure was observed in bonded specimens at stress levels well below the ultimate strength. In order to protect the D-III neutral beam ion source epoxy from elevated temperature effects, a chill was installed in the cooling water circuit. Outgassing measurements of the insulator epoxy were made and found to be low and primarily H 2 O

  1. Different routes, same pathways: Molecular mechanisms under silver ion and nanoparticle exposures in the soil sentinel Eisenia fetida

    International Nuclear Information System (INIS)

    Novo, Marta; Lahive, Elma; Díez-Ortiz, María; Matzke, Marianne; Morgan, Andrew J.; Spurgeon, David J.; Svendsen, Claus; Kille, Peter

    2015-01-01

    Use of nanotechnology products is increasing; with silver (Ag) nanoparticles particularly widely used. A key uncertainty surrounding the risk assessment of AgNPs is whether their effects are driven through the same mechanism of action that underlies the toxic effects of Ag ions. We present the first full transcriptome study of the effects of Ag ions and NPs in an ecotoxicological model soil invertebrate, the earthworm Eisenia fetida. Gene expression analyses indicated similar mechanisms for both silver forms with toxicity being exerted through pathways related to ribosome function, sugar and protein metabolism, molecular stress, disruption of energy production and histones. The main difference seen between Ag ions and NPs was associated with potential toxicokinetic effects related to cellular internalisation and communication, with pathways related to endocytosis and cilia being significantly enriched. These results point to a common final toxicodynamic response, but initial internalisation driven by different exposure routes and toxicokinetic mechanisms. - Highlights: • Molecular effects underlying Ag ions and NPs exposure were studied in Eisenia fetida. • Full transcriptomic study of a genetically characterised lineage. • NPs and ions presented a similar toxicodynamic response. • Internalisation of the two Ag forms by different toxicokinetic mechanisms. - Transcriptomic analyses after exposure of earthworms to silver NPs or ions showed a final common toxicodynamic response, but internalisation by different toxicokinetic mechanisms

  2. Two-stage DNA compaction induced by silver ions suggests a cooperative binding mechanism

    Science.gov (United States)

    Jiang, Wen-Yan; Ran, Shi-Yong

    2018-05-01

    The interaction between silver ions and DNA plays an important role in the therapeutic use of silver ions and in related technologies such as DNA sensors. However, the underlying mechanism has not been fully understood. In this study, the dynamics of Ag+-DNA interaction at a single-molecule level was studied using magnetic tweezers. AgNO3 solutions with concentrations ranging from 1 μM to 20 μM led to a 1.4-1.8 μm decrease in length of a single λ-DNA molecule, indicating that Ag+ has a strong binding with DNA, causing the DNA conformational change. The compaction process comprises one linear declining stage and another sigmoid-shaped stage, which can be attributed to the interaction mechanism. Considering the cooperative effect, the sigmoid trend was well explained using a phenomenological model. By contrast, addition of silver nanoparticle solution induced no detectable transition of DNA. The dependence of the interaction on ionic strength and DNA concentration was examined via morphology characterization and particle size distribution measurement. The size of the Ag+-DNA complex decreased with an increase in Ag+ ionic strength ranging from 1 μM to 1 mM. Morphology characterization confirmed that silver ions induced DNA to adopt a compacted globular conformation. At a fixed [AgNO3]:[DNA base pairs] ratio, increasing DNA concentration led to increased sizes of the complexes. Intermolecular interaction is believed to affect the Ag+-DNA complex formation to a large extent.

  3. A review of safety-focused mechanical modeling of commercial lithium-ion batteries

    Science.gov (United States)

    Zhu, Juner; Wierzbicki, Tomasz; Li, Wei

    2018-02-01

    We are rapidly approaching an inflection point in the adoption of electric vehicles on the roads. All major automotive companies are having well-funded plans for mass market affordable branded EV product line models, which can open the floodgates. A rapid growth of battery energy density, accompanied by an aggressive progress of reduction of costs of lithium-ion batteries, brings safety concerns. While more energy stored in the battery pack of an EV translates to a longer range, the downside is that accidents will be more violent due to battery inevitable explosion. With today's technology, severe crashes involving intrusion into the battery pack will potentially result in a thermal runaway, fire, and explosion. Most of research on lithium-ion batteries have been concerned with the electrochemistry of cells. However, in most cases failure and thermal runaway is caused by mechanical loading due to crash events. There is a growing need to summarize the already published results on mechanical loading and response of batteries and offer a critical evaluation of work in progress. The objective of this paper is to present such review with a discussion of many outstanding issues and outline of a roadmap for future research.

  4. Elastic scattering of helium ions on 9Be nuclei and exchange mechanisms

    International Nuclear Information System (INIS)

    Burtebaev, N.; Dujsebaev, B.A.

    1999-01-01

    Among nuclei of 1p-shell 9 Be is an extremely deformed nucleus with cluster structure. This considerably impedes determination of nucleus-nucleus potential of interaction. The latter relates to the fact that cross-section of 3 He ion and ?-particle elastic scattering on light nuclei is formed by not only mechanism of mere potential nature but also by other processes of heavy breakaway and displacement as well as by effects of channel relation. Final probability of 6 He+ and 3 He and 5 He+? cluster existence in 9 Be nucleus can be determined in the processes of 3 He or ?-particle ion scattering. As a result, it can cause considerable growth of cross-section under backward angles due to exchange of impinging particle with identical cluster in a nucleus. In order to study the contribution of different mechanisms into formation of cross-section of elastic scattering of helium nuclides on 9 Be nucleus we have performed series of experiments in broad angular range at energies 8-20 MeV/nucleon at derived beams of isochronous cyclotron of the Institute of Nuclear Physics of Kazakhstan national Nuclear Centre

  5. Mechanical and tribological properties of silicon nitride films synthesized by ion beam enhanced deposition

    International Nuclear Information System (INIS)

    Chen Yuanru; Li Shizhuo; Zhang Xushou; Liu Hong; Yang Genqing; Qu Baochun

    1991-01-01

    This article describes preliminary investigations of mechanical and tribological properties of silicon nitride film formed by ion beam enhanced deposition (IBED) on GH37 (Ni-based alloys) steel. The films were synthesized by silicon vapor deposition with a rate of 1 A/s and by 40 keV nitrogen ion bombardment simultaneously. The thickness of the film was about 5000 A. X-ray photoelectron spectroscopy and infrared absorption spectroscopy revealed that a stoichiometric Si 3 N 4 film was formed. The observation of TEM showed that the IBED Si 3 N 4 film normally had an amorphous structure. However, electron diffraction patterns revealed a certain crystallinity. The mechanical and tribological properties of the films were investigated with a scratch tester, microhardness meter, and a ball-on-disc tribometer respectively. Results show that the adhesive strength between film and substrate is about 51 N, the Vickers microhardness with a load of 0.2 N is 980, the friction coefficient measured for steel against silicon nitride film ranges from 0.1 to 0.15, and the wear rate of coatings is about 6.8x10 -5 mm 3 /(mN). Finally, the relationship among thermal annealing, crystallinity and tribological characteristics of the Si 3 N 4 film is discussed. (orig.)

  6. Intra-pulse transition between ion acceleration mechanisms in intense laser-foil interactions

    Energy Technology Data Exchange (ETDEWEB)

    Padda, H.; King, M.; Gray, R. J.; Powell, H. W.; Gonzalez-Izquierdo, B.; Wilson, R.; Dance, R. J.; MacLellan, D. A.; Butler, N. M. H.; Capdessus, R.; McKenna, P., E-mail: paul.mckenna@strath.ac.uk [SUPA Department of Physics, University of Strathclyde, Glasgow G4 0NG (United Kingdom); Stockhausen, L. C. [Centro de Laseres Pulsados (CLPU), Parque Cientifico, Calle del Adaja s/n. 37185 Villamayor, Salamanca (Spain); Carroll, D. C. [Central Laser Facility, STFC Rutherford Appleton Laboratory, Oxfordshire OX11 0QX (United Kingdom); Yuan, X. H. [Key Laboratory for Laser Plasmas (Ministry of Education) and Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Collaborative Innovation Center of IFSA (CICIFSA), Shanghai Jiao Tong University, Shanghai 200240 (China); Borghesi, M. [Centre for Plasma Physics, Queens University Belfast, Belfast BT7 1NN (United Kingdom); Neely, D. [SUPA Department of Physics, University of Strathclyde, Glasgow G4 0NG (United Kingdom); Central Laser Facility, STFC Rutherford Appleton Laboratory, Oxfordshire OX11 0QX (United Kingdom)

    2016-06-15

    Multiple ion acceleration mechanisms can occur when an ultrathin foil is irradiated with an intense laser pulse, with the dominant mechanism changing over the course of the interaction. Measurement of the spatial-intensity distribution of the beam of energetic protons is used to investigate the transition from radiation pressure acceleration to transparency-driven processes. It is shown numerically that radiation pressure drives an increased expansion of the target ions within the spatial extent of the laser focal spot, which induces a radial deflection of relatively low energy sheath-accelerated protons to form an annular distribution. Through variation of the target foil thickness, the opening angle of the ring is shown to be correlated to the point in time transparency occurs during the interaction and is maximized when it occurs at the peak of the laser intensity profile. Corresponding experimental measurements of the ring size variation with target thickness exhibit the same trends and provide insight into the intra-pulse laser-plasma evolution.

  7. Rotation driven translational diffusion of polyatomic ions in water: A novel mechanism for breakdown of Stokes-Einstein relation

    Science.gov (United States)

    Banerjee, Puja; Yashonath, Subramanian; Bagchi, Biman

    2017-04-01

    While most of the existing theoretical and simulation studies have focused on simple, spherical, halide and alkali ions, many chemically, biologically, and industrially relevant electrolytes involve complex non-spherical polyatomic ions like nitrate, chlorate, and sulfate to name only a few. Interestingly, some polyatomic ions in spite of being larger in size show anomalously high diffusivity and therefore cause a breakdown of the venerable Stokes-Einstein (S-E) relation between the size and diffusivity. Here we report a detailed analysis of the dynamics of anions in aqueous potassium nitrate (KNO3) and aqueous potassium acetate (CH3COOK) solutions. The two ions, nitrate (-NO3) and acetate (CH3-CO2 ), with their similar size show a large difference in diffusivity values. We present evidence that the translational motion of these polyatomic ions is coupled to the rotational motion of the ion. We show that unlike the acetate ion, nitrate ion with a symmetric charge distribution among all periphery oxygen atoms shows a faster rotational motion with large amplitude rotational jumps which enhances its translational motion due to translational-rotational coupling. By creating a family of modified-charge model systems, we have analysed the rotational motion of asymmetric polyatomic ions and the contribution of it to the translational motion. These model systems help clarifying and establishing the relative contribution of rotational motion in enhancing the diffusivity of the nitrate ion over the value predicted by the S-E relation and also over the other polyatomic ions having asymmetric charge distribution like the acetate ion. In the latter case, reduced rotational motion results in lower diffusivity values than those with symmetric charge distribution. We propose translational-rotational coupling as a general mechanism of the breakdown of the S-E relation in the case of polyatomic ions.

  8. Evaluation of copper ion of antibacterial effect on Pseudomonas aeruginosa, Salmonella typhimurium and Helicobacter pylori and optical, mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young-Hwan [School of Materials Science and Engineering, University of Yonsei, Seoul (Korea, Republic of); Choi, Yu-ri; Kim, Kwang-Mahn [Department and Research Institute of Dental Biomaterials and Bioengineering, College of Dentistry, University of Yonsei, Seoul (Korea, Republic of); Choi, Se-Young, E-mail: sychoi@yonsei.ac.kr [School of Materials Science and Engineering, University of Yonsei, Seoul (Korea, Republic of)

    2012-02-01

    Antibacterial effect on Pseudomonas aeruginosa, Salmonella typhimurium and Helicobacter pylori of copper ion was researched. Also, additional effects of copper ion coating on optical and mechanical properties were researched as well. Copper ion was coated on glass substrate as a thin film to prevent bacteria from growing. Cupric nitrate was used as precursors for copper ion. The copper ion contained sol was deposited by spin coating process on glass substrate. Then, the deposited substrates were heat treated at the temperature range between 200 Degree-Sign C and 250 Degree-Sign C. The thickness of deposited copper layer on the surface was 63 nm. The antibacterial effect of copper ion coated glass on P. aeruginosa, S. typhimurium and H. pylori demonstrated excellent effect compared with parent glass. Copper ion contained layer on glass showed a similar value of transmittance compared with value of parent glass. The 3-point bending strength and Vickers hardness were 209.2 MPa, 540.9 kg/mm{sup 2} which were about 1.5% and 1.3% higher than the value of parent glass. From these findings, it is clear that copper ion coating on glass substrate showed outstanding effect not only in antibacterial activity but also in optical and mechanical properties as well.

  9. The Influence of Drift Gas Composition on the Separation Mechanism in Traveling Wave Ion Mobility Spectrometry: Insight from Electrodynamic Simulations.

    Science.gov (United States)

    May, Jody C; McLean, John A

    2003-06-01

    The influence of three different drift gases (helium, nitrogen, and argon) on the separation mechanism in traveling wave ion mobility spectrometry is explored through ion trajectory simulations which include considerations for ion diffusion based on kinetic theory and the electrodynamic traveling wave potential. The model developed for this work is an accurate depiction of a second-generation commercial traveling wave instrument. Three ion systems (cocaine, MDMA, and amphetamine) whose reduced mobility values have previously been measured in different drift gases are represented in the simulation model. The simulation results presented here provide a fundamental understanding of the separation mechanism in traveling wave, which is characterized by three regions of ion motion: (1) ions surfing on a single wave, (2) ions exhibiting intermittent roll-over onto subsequent waves, and (3) ions experiencing a steady state roll-over which repeats every few wave cycles. These regions of ion motion are accessed through changes in the gas pressure, wave amplitude, and wave velocity. Resolving power values extracted from simulated arrival times suggest that momentum transfer in helium gas is generally insufficient to access regions (2) and (3) where ion mobility separations occur. Ion mobility separations by traveling wave are predicted to be effectual for both nitrogen and argon, with slightly lower resolving power values observed for argon as a result of band-broadening due to collisional scattering. For the simulation conditions studied here, the resolving power in traveling wave plateaus between regions (2) and (3), with further increases in wave velocity contributing only minor improvements in separations.

  10. Suspended tungsten-based nanowires with enhanced mechanical properties grown by focused ion beam induced deposition

    Science.gov (United States)

    Córdoba, Rosa; Lorenzoni, Matteo; Pablo-Navarro, Javier; Magén, César; Pérez-Murano, Francesc; María De Teresa, José

    2017-11-01

    The implementation of three-dimensional (3D) nano-objects as building blocks for the next generation of electro-mechanical, memory and sensing nano-devices is at the forefront of technology. The direct writing of functional 3D nanostructures is made feasible by using a method based on focused ion beam induced deposition (FIBID). We use this technique to grow horizontally suspended tungsten nanowires and then study their nano-mechanical properties by three-point bending method with atomic force microscopy. These measurements reveal that these nanowires exhibit a yield strength up to 12 times higher than that of the bulk tungsten, and near the theoretical value of 0.1 times the Young’s modulus (E). We find a size dependence of E that is adequately described by a core-shell model, which has been confirmed by transmission electron microscopy and compositional analysis at the nanoscale. Additionally, we show that experimental resonance frequencies of suspended nanowires (in the MHz range) are in good agreement with theoretical values. These extraordinary mechanical properties are key to designing electro-mechanically robust nanodevices based on FIBID tungsten nanowires.

  11. Diagnostic examination of Generation 2 lithium-ion cells and assessment ofperformance degradation mechanisms.

    Energy Technology Data Exchange (ETDEWEB)

    Abraham, D. P.; Dees, D. W.; Knuth, J.; Reynolds, E.; Gerald, R.; Hyung,Y.-E.; Belharouak, I.; Stoll, M.; Sammann, E.; MacLaren, S.; Haasch, R.; Twesten,R.; Sardela, M.; Battaglia, V.; Cairns, E.; Kerr, J.; Kerlau, M.; Kostecki, R.; Lei,J.; McCarthy, K.; McLarnon, F.; Reimer, J.; Richardson, T.; Ross, P.; Sloop,S.; Song, X.; Zhuang, V.; Balasubramanian, M.; McBreen, J.; Chung, K.-Y.; Yang, X.Q.; Yoon, W.-S.; Norin, L.

    2005-07-15

    The Advanced Technology Development (ATD) Program is a multilaboratory effort to assist industrial developers of high-power lithium-ion batteries overcome the barriers of cost, calendar life, abuse tolerance, and low-temperature performance so that this technology may be rendered practical for use in hybrid electric vehicles (HEVs). Included in the ATD Program is a comprehensive diagnostics effort conducted by researchers at Argonne National Laboratory (ANL), Brookhaven National Laboratory (BNL), and Lawrence Berkeley National Laboratory (LBNL). The goals of this effort are to identify and characterize processes that limit lithium-ion battery performance and calendar life, and ultimately to describe the specific mechanisms that cause performance degradation. This report is a compilation of the diagnostics effort conducted since spring 2001 to characterize Generation 2 ATD cells and cell components. The report is divided into a main body and appendices. Information on the diagnostic approach, details from individual diagnostic techniques, and details on the phenomenological model used to link the diagnostic data to the loss of 18650-cell electrochemical performance are included in the appendices. The main body of the report includes an overview of the 18650-cell test data, summarizes diagnostic data and modeling information contained in the appendices, and provides an assessment of the various mechanisms that have been postulated to explain performance degradation of the 18650 cells during accelerated aging. This report is intended to serve as a ready reference on ATD Generation 2 18650-cell performance and provide information on the tools for diagnostic examination and relevance of the acquired data. A comprehensive account of our experimental procedures and resulting data may be obtained by consulting the various references listed in the text. We hope that this report will serve as a roadmap for the diagnostic analyses of other lithium-ion technologies being

  12. Electrospray Ionization Mechanisms for Large Polyethylene Glycol Chains Studied Through Tandem Ion Mobility Spectrometry

    Science.gov (United States)

    Larriba, Carlos; de la Mora, Juan Fernandez; Clemmer, David E.

    2014-08-01

    Ion mobility mass spectrometry (IMS-MS) is used to investigate the abundance pattern, n z (m) of Poly-(ethyleneglycol) (PEG) electrosprayed from water/methanol as a function of mass and charge state. We examine n z (m) patterns from a diversity of solution cations, primarily dimethylammonium and triethylammonium. The ability of PEG chains to initially attach to various cations in the spraying chamber, and to retain them (or not) on entering the MS, provide valuable clues on the ionization mechanism. Single chains form in highly charged and extended shapes in most buffers. But the high initial charge they hold under atmospheric pressure is lost on transit to the vacuum system for large cations. In contrast, aggregates of two or more chains carry in all buffers at most the Rayleigh charge of a water drop of the same volume. This shows either that they form via Dole's charge residue mechanism, or that highly charged and extended aggregates are ripped apart by Coulombic repulsion. IMS-IMS experiments in He confirm these findings, and provide new mechanistic insights on the stability of aggregates. When collisionally activated, initially globular dimers are stable. However, slightly nonglobular dimers projecting out a linear appendix are segregated into two monomeric chains. The breakup of a charged dimer is therefore a multi-step process, similar to the Fenn-Consta polymer extrusion mechanism. The highest activation barrier is associated to the first step, where a short chain segment carrying a single charge escapes (ion-evaporates) from a charged drop, leading then to gradual field extrusion of the whole chain out of the drop.

  13. Effects of Chlorine Ions on the Dissolution Mechanism of Cu Thin Film in Phosphoric Acid Based Solution.

    Science.gov (United States)

    Seo, Bo-Hyun; Kim, Byoung O; Seo, Jong Hyun

    2015-10-01

    The dissolution mechanisms of Cu thin film were studied with a focus on the effect of chlorine ion concentrations in mixture solutions of phosphoric and nitric acid. The dissolution behaviors of Cu thin film were investigated by using potentio-dynamic curves and impedance spectroscopy with varying chlorine ion concentrations. The copper dissolution rate decreased and as a result of this change, CuCl, salt films formed on the Cu surface in the presence of chlorine ions in the mixture solution. Such behavior was interpreted as being competitive adsorption between chlorine and nitrate ions on the copper surface. The passive oxide film on the Cu surface was further investigated in detail using X-ray photoelectron spectroscopy in both the absence and presence of differing chlorine ion concentrations.

  14. A post Gurney quantum mechanical perspective on the electrolysis of water: ion neutralization in solution

    Science.gov (United States)

    Guo, Enyi; McKenzie, David R.

    2017-11-01

    Electron fluxes crossing the interface between a metallic conductor and an aqueous environment are important in many fields; hydrogen production, environmental scanning tunnelling microscopy, scanning electrochemical microscopy being some of them. Gurney (Gurney 1931 Proc. R. Soc. Lond. 134, 137 (doi:10.1098/rspa.1931.0187)) provided in 1931 a scheme for tunnelling during electrolysis and outlined conditions for it to occur. We measure the low-voltage current flows between gold electrodes in pure water and use the time-dependent behaviour at voltage switch-on and switch-off to evaluate the relative contribution to the steady current arising from tunnelling of electrons between the electrodes and ions in solution and from the neutralization of ions adsorbed onto the electrode surface. We ascribe the larger current contribution to quantum tunnelling of electrons to and from ions in solution near the electrodes. We refine Gurney's barrier scheme to include solvated electron states and quantify energy differences using updated information. We show that Gurney's conditions would prevent the current flow at low voltages we observe but outline how the ideas of Marcus (Marcus 1956 J. Chem. Phys. 24, 966-978 (doi:10.1063/1.1742723)) concerning solvation fluctuations enable the condition to be relaxed. We derive an average barrier tunnelling model and a multiple pathways tunnelling model and compare predictions with measurements of the steady-state current-voltage relation. The tunnelling barrier was found to be wide and low in agreement with other experimental studies. Applications as a biosensing mechanism are discussed that exploit the fast tunnelling pathways along molecules in solution.

  15. Thermo-mechanical design of the Plasma Driver Plate for the MITICA ion source

    Energy Technology Data Exchange (ETDEWEB)

    Pavei, Mauro, E-mail: mauro.pavei@igi.cnr.it [Consorzio RFX, EURATOM-ENEA Association, Corso Stati Uniti 4, I-35127 Padova (Italy); Palma, Mauro Dalla; Marcuzzi, Diego [Consorzio RFX, EURATOM-ENEA Association, Corso Stati Uniti 4, I-35127 Padova (Italy)

    2010-12-15

    In the framework of the activities for the development of the Neutral Beam Injector (NBI) for ITER, the detailed design of the Radio-Frequency (RF) negative ion source has been carried out. One of the most heated components of the RF source is the rear vertical plate, named Plasma Driver Plate (PDP), where the Back-Streaming positive Ions (BSI+) generated from stripping losses in the accelerator and back scattered on the plasma source impinge on. The heat loads that result are huge and concentrated, with first estimate of the power densities up to 60 MW/m{sup 2}. The breakdowns that occur into the accelerator cause such heat loads to act cyclically, so that the PDP is thermo-mechanically fatigue loaded. Moreover, the surface of the PDP facing the plasma is functionally required to be temperature controlled and to be molybdenum or tungsten coated. The thermo-hydraulic design of the plate has been carried out considering active cooling with ultra-pure water. Different heat sink materials, hydraulic circuit layout and manufacturing processes have been considered. The heat exhaust has been optimized by changing the channels geometry, the path of the heat flux in the heat sink, the thickness of the plate and maximizing the Heat Transfer Coefficient. Such optimization has been carried out by utilizing 3D Finite Element (FE) models. Afterwards all the suitable mechanical (aging, structural monotonic and cyclic) verifications have been carried out post-processing the results of the thermo-mechanical 3D FE analyses in accordance to specific procedures for nuclear components exposed to high temperature. The effect of sputtering phenomenon due to the high energy BSI+ impinging on the plate has been considered and combined with fatigue damage for the mechanical verification of the PDP. Alternative solutions having molybdenum (or tungsten coatings) facing the plasma, aiming to reduce the sputtering rate and the consequent plasma pollution, have been evaluated and related 3D FE

  16. Silver nanoparticles embedded in zeolite membranes: release of silver ions and mechanism of antibacterial action

    Science.gov (United States)

    Nagy, Amber; Harrison, Alistair; Sabbani, Supriya; Munson, Robert S; Dutta, Prabir K; Waldman, W James

    2011-01-01

    Background The focus of this study is on the antibacterial properties of silver nanoparticles embedded within a zeolite membrane (AgNP-ZM). Methods and Results These membranes were effective in killing Escherichia coli and were bacteriostatic against methicillin-resistant Staphylococcus aureus. E. coli suspended in Luria Bertani (LB) broth and isolated from physical contact with the membrane were also killed. Elemental analysis indicated slow release of Ag+ from the AgNP-ZM into the LB broth. The E. coli killing efficiency of AgNP-ZM was found to decrease with repeated use, and this was correlated with decreased release of silver ions with each use of the support. Gene expression microarrays revealed upregulation of several antioxidant genes as well as genes coding for metal transport, metal reduction, and ATPase pumps in response to silver ions released from AgNP-ZM. Gene expression of iron transporters was reduced, and increased expression of ferrochelatase was observed. In addition, upregulation of multiple antibiotic resistance genes was demonstrated. The expression levels of multicopper oxidase, glutaredoxin, and thioredoxin decreased with each support use, reflecting the lower amounts of Ag+ released from the membrane. The antibacterial mechanism of AgNP-ZM is proposed to be related to the exhaustion of antioxidant capacity. Conclusion These results indicate that AgNP-ZM provide a novel matrix for gradual release of Ag+. PMID:21931480

  17. Local structure and oxide-ion conduction mechanism in apatite-type lanthanum silicates.

    Science.gov (United States)

    Masson, Olivier; Berghout, Abid; Béchade, Emilie; Jouin, Jenny; Thomas, Philippe; Asaka, Toru; Fukuda, Koichiro

    2017-01-01

    The local structure of apatite-type lanthanum silicates of general formula La 9.33+x (SiO 4 ) 6 O 2+3x/2 has been investigated by combining the atomic pair distribution function (PDF) method, conventional X-ray and neutron powder diffraction (NPD) data and density functional theory (DFT) calculations. DFT was used to build structure models with stable positions of excess oxide ions within the conduction channel. Two stable interstitial positions were obtained in accordance with literature, the first one located at the very periphery of the conduction channel, neighbouring the SiO 4 tetrahedral units, and the second one closer to the channel axis. The corresponding PDFs and average structures were then calculated and tested against experimental PDFs obtained by X-ray total scattering and NPD Rietveld refinements results gathered from literature. It was shown that of the two stable interstitial positions obtained with DFT only the second one located within the channel is consistent with experimental data. This result consolidates one of the two main conduction mechanisms along the c-axis reported in the literature, namely the one involving cooperative movement of O4 and Oi ions.

  18. Quantum mechanical theory of positron production in heavy ion collisions with nuclear contact

    International Nuclear Information System (INIS)

    Heinz, U.

    1986-01-01

    The interplay between atomic and nuclear interactions in heavy ion collisions with nuclear contact is studied. The general theoretical description is outlined and analyzed in a number of different limits (semiclassical approximation, DWBA, fully quantal description). The two most important physical mechanisms for generating atomic-nuclear interference, i.e., energy conservation and the introduction of additional phase shifts by nuclear reactions, are extracted. The resulting typical coupling matrix elements are analyzed for their relative importance in atomic and nuclear excitations. The description of nuclear influence on atomic excitations in terms of a classical time delay caused by nuclear reactions is reviewed, and its relationship to the underlying quantal character of the nuclear reaction is discussed. The theory is applied to spontaneous positron emission in supercritical heavy-ion collisions (Z/sub tot/ ≥ 173). It is shown that nuclear contact can lead to line structures in the positron energy spectra if the probability distribution for nuclear delay times caused by the contact has contributions for T ≥ 10 -19 sec. We explicitly evaluate a model where a pocket in the internuclear potential near the touching configuration leads to formation of nuclear molecules, and predict a resonance-like excitation function for the positron peak. 25 refs., 7 figs

  19. Na-Ion Intercalation and Charge Storage Mechanism in 2D Vanadium Carbide

    Energy Technology Data Exchange (ETDEWEB)

    Bak, Seong-Min [Chemistry Division, Brookhaven National Laboratory, Upton NY 11973 USA; Qiao, Ruimin [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Yang, Wanli [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Lee, Sungsik [X-Ray Science Division, Argonne National Laboratory, Argonne IL 60439 USA; Yu, Xiqian [Institute of Physics, Chinese Academy of Science, Beijing 100190 China; Anasori, Babak [Department of Material Science and Engineering, A.J. Drexel Nanomaterials Institute, Drexel University, Philadelphia PA 19104 USA; Lee, Hungsui [Chemistry Division, Brookhaven National Laboratory, Upton NY 11973 USA; Gogotsi, Yury [Department of Material Science and Engineering, A.J. Drexel Nanomaterials Institute, Drexel University, Philadelphia PA 19104 USA; Yang, Xiao-Qing [Chemistry Division, Brookhaven National Laboratory, Upton NY 11973 USA

    2017-07-14

    Two-dimensional vanadium carbide MXene containing surface functional groups (denoted as V2CTx, where Tx are surface functional groups) was synthesized and studied as anode material for Na-ion batteries. V2CTx anode exhibits reversible charge storage with good cycling stability and high rate capability through electrochemical test. The charge storage mechanism of V2CTx material during Na+ intercalation/deintercalation and the redox reaction of vanadium were studied using a combination of synchrotron based X-ray diffraction (XRD), hard X-ray absorption near edge spectroscopy (XANES) and soft X-ray absorption spectroscopy (sXAS). Experimental evidence of a major contribution of redox reaction of vanadium to the charge storage and the reversible capacity of V2CTx during sodiation/desodiation process have been provided through V K-edge XANES and V L2,3-edge sXAS results. A correlation between the CO32- content and Na+ intercalation/deintercalation states in the V2CTx electrode observed from C and O K-edge in sXAS results imply that some additional charge storage reactions may take place between the Na+-intercalated V2CTx and the carbonate based non-aqueous electrolyte. The results of this study will provide valuable information for the further studies on V2CTx as anode material for Na-ion batteries and capacitors.

  20. Mechanism study of selective heavy metal ion removal with polypyrrole-functionalized polyacrylonitrile nanofiber mats

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jianqiang; Luo, Chao [Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029 (China); Qi, Genggeng [Department of Materials Science and Engineering, Cornell University, Ithaca, NY (United States); Pan, Kai, E-mail: pankai@mail.buct.edu.cn [Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029 (China); Department of Materials Science and Engineering, Cornell University, Ithaca, NY (United States); Cao, Bing, E-mail: bcao@mail.buct.edu.cn [Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029 (China)

    2014-10-15

    Graphical abstract: - Highlights: • PAN/PPy core/shell nanofiber used for Cr(VI) removal. • Adsorption mechanisms were investigated. • Selective adsorption performances were investigated. - Abstract: Polyacrylonitrile/polypyrrole (PAN/PPy) core/shell nanofiber mat was prepared through electrospinning followed by a simple chemical oxidation method. The polypyrrole-functionalized nanofiber mats showed selective adsorption performance for anions. The interaction between heavy metal anions and polypyrrole (especially the interaction between Cr{sub 2}O{sub 7}{sup 2−} and polypyrrole) during the adsorption process was studied. The results showed that the adsorption process included two steps: one was the anion exchange process between the Cl{sup −} and Cr(VI), and the other was the redox process for the Cr(VI) ions. The adsorption amount was related to the protonation time of the PAN/PPy nanofiber mat and increased as protonation time increased. Meanwhile, the Cr(VI) ions were reduced to Cr(III) through the reaction with amino groups of polypyrrole (from secondary amines to tertiary amines). PAN/PPy nanofiber mat showed high selectivity for Cr(VI), and the adsorption performance was nearly unaffected by other co-existing anions (Cl{sup −}, NO{sub 3}{sup −}, and SO{sub 4}{sup 2−}) except for PO{sub 4}{sup 3−} for the pH change.

  1. Recycling metals from lithium ion battery by mechanical separation and vacuum metallurgy.

    Science.gov (United States)

    Xiao, Jiefeng; Li, Jia; Xu, Zhengming

    2017-09-15

    The large-batch application of lithium ion batteries leads to the mass production of spent batteries. So the enhancement of disposal ability of spent lithium ion batteries is becoming very urgent. This study proposes an integrated process to handle bulk spent lithium manganese (LiMn 2 O 4 ) batteries to in situ recycle high value-added products without any additives. By mechanical separation, the mixed electrode materials mainly including binder, graphite and LiMn 2 O 4 are firstly obtained from spent batteries. Then, the reaction characteristics for the oxygen-free roasting of mixed electrode materials are analyzed. And the results show that mixed electrode materials can be in situ converted into manganese oxide (MnO) and lithium carbonate (Li 2 CO 3 ) at 1073K for 45min. In this process, the binder is evaporated and decomposed into gaseous products which can be collected to avoid disposal cost. Finally, 91.30% of Li resource as Li 2 CO 3 is leached from roasted powders by water and then high value-added Li 2 CO 3 crystals are further gained by evaporating the filter liquid. The filter residues are burned in air to remove the graphite and the final residues as manganous-manganic oxide (Mn 3 O 4 ) is obtained. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. NATO Advanced Research Workshop on Methods and Mechanisms for Producing Ions from Large Molecules

    CERN Document Server

    Ens, Werner

    1991-01-01

    A NATO Advanced Research Workshop on Methods and Mechanisms for Producing Ions from Large Molecules was held at Minaki Lodge, Minaki, Ontario, Canada, from 24 to 28 June 1990. The workshop was hosted by the time-of-flight group of the Department of Physics at the University of Manitoba, and was attended by 64 invited participants from around the world. Twenty-nine invited talks were given and 19 papers were presented as posters. Of the 48 contributions, 38 are included in these proceedings. The conference was organized to study the rapidly changing field of mass spectrometry of biomolecules. Particle-induced desorption (especially with MeV particles) has been the most effective method of producing molecular ions from biomolecules. An important part of the workshop was devoted to recent developments in this field, particularly to progress in understanding the fundamentals of the desorption process. In this respect, the meeting was similar to previous conferences in Marburg, FRG (1978); Paris, F (1980); Uppsala...

  3. Mechanism study of selective heavy metal ion removal with polypyrrole-functionalized polyacrylonitrile nanofiber mats

    International Nuclear Information System (INIS)

    Wang, Jianqiang; Luo, Chao; Qi, Genggeng; Pan, Kai; Cao, Bing

    2014-01-01

    Graphical abstract: - Highlights: • PAN/PPy core/shell nanofiber used for Cr(VI) removal. • Adsorption mechanisms were investigated. • Selective adsorption performances were investigated. - Abstract: Polyacrylonitrile/polypyrrole (PAN/PPy) core/shell nanofiber mat was prepared through electrospinning followed by a simple chemical oxidation method. The polypyrrole-functionalized nanofiber mats showed selective adsorption performance for anions. The interaction between heavy metal anions and polypyrrole (especially the interaction between Cr 2 O 7 2− and polypyrrole) during the adsorption process was studied. The results showed that the adsorption process included two steps: one was the anion exchange process between the Cl − and Cr(VI), and the other was the redox process for the Cr(VI) ions. The adsorption amount was related to the protonation time of the PAN/PPy nanofiber mat and increased as protonation time increased. Meanwhile, the Cr(VI) ions were reduced to Cr(III) through the reaction with amino groups of polypyrrole (from secondary amines to tertiary amines). PAN/PPy nanofiber mat showed high selectivity for Cr(VI), and the adsorption performance was nearly unaffected by other co-existing anions (Cl − , NO 3 − , and SO 4 2− ) except for PO 4 3− for the pH change

  4. Mechanism for ion-induced mixing of GaAs-AlGaAs interfaces by rapid thermal annealing

    International Nuclear Information System (INIS)

    Kahen, K.B.; Rajeswaran, G.; Lee, S.T.

    1988-01-01

    A mechanism for the transient-enhanced interdiffusion of GaAs-AlGaAs interfaces during rapid thermal annealing of ion-implanted heterostructures is proposed. The model is based on the solution of the coupled diffusion equations involving the excess vacancies and the post-implantation Al distribution following ion implantation. Both initial distributions are obtained from the solution of a three-dimensional Monte Carlo simulation of ion implantation into a heterostructure sample. In general, the model is valid for time frames within which impurity diffusion does not occur appreciably so that impurity-enhanced diffusion remains a weak effect

  5. Development of small scale mechanical testing techniques on ion beam irradiated 304 SS

    International Nuclear Information System (INIS)

    Reichardt, A.; Abad, M.D.; Hosemann, P.; Lupinacci, A.; Kacher, J.; Minor, A.; Jiao, Z; Chou, P.

    2015-01-01

    Austenitic stainless steels are widely used for structural components in light water reactors, however uncertainty in their susceptibility to irradiation assisted stress corrosion cracking (IASCC) has made long term performance predictions difficult. In addition, the testing of reactor irradiated materials has proven challenging due to the long irradiation times required, limited sample availability, and unwanted activation. To address these problems, we apply recently developed techniques in nano-indentation and micro-compression testing to small volume samples of 10 dpa proton-beam irradiated 304 stainless steel. Cross sectional nano-indentation was performed on both proton beam irradiated and non-irradiated samples at temperatures ranging from 22 to 300 C. degrees to determine the effects of irradiation and operating temperature on hardening. Micro-compression tests using 2 μm x 2 μm x 5 μm focused-ion beam milled pillars were then performed in situ in an electron microscope to allow for a more accurate look at stress-strain behavior along with real-time observations of localized mechanical deformation. Large sudden slip events and significant increase in yield strength are observed in irradiated micro-compression samples at room temperature. Elevated temperature nano-indentation results reveal the possibility of thermally-activated changes in deformation mechanism for irradiated specimens. Since the deformation mechanism information provided by micro-compression testing can provide valuable information about IASCC susceptibility, future work will involve ex situ micro-compression tests at reactor operating temperature

  6. Mechanical and tribological properties of AISI 304 stainless steel nitrided by glow discharge compared to ion implantation and plasma immersion ion implantation

    International Nuclear Information System (INIS)

    Foerster, C.E.; Serbena, F.C.; Silva, S.L.R. da; Lepienski, C.M.; Siqueira, C.J. de M.; Ueda, M.

    2007-01-01

    Results about mechanical and tribological behavior of AISI 304 stainless steel nitrided by three different ion beam processes - glow discharge (GD), ion implantation (II) and plasma immersion ion implantation (PI3) are reported. Expanded austenite γ N and nitrides phases (Fe 2+x N, γ'-Fe 4 N and Cr-N) were identified as a function of nitriding conditions. Hardness (H) and elastic modulus (E) profiles were obtained by instrumented penetration. The hardness reached values as high as 21 GPa by PI3. Tribological behavior was studied by reciprocating sliding tests with a WC (Co) ball at room temperature (RT) in dry condition. Different wear regimes were identified in the friction coefficient profiles. The profile form and the running-in distance are strongly dependent on the nitriding process. Adhesive and abrasive wear components can be inferred from these friction profiles. Hardness and tribological performance, after the nitriding processes, are discussed in terms of surface microstructure

  7. Probing the failure mechanism of nanoscale LiFePO₄ for Li-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Meng [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Shi, Wei [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Energy and Environmental Directorate; Beijing Jiaotong University (China). School of Electrical Engineering, National Active Distribution Network Technology Research Center; Zheng, Jianming [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Energy and Environmental Directorate; Yan, Pengfei [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Zhang, Ji-guang [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Energy and Environmental Directorate; Wang, Chongmin [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)

    2015-05-18

    LiFePO4 is a high power rate cathode material for lithium ion battery and shows remarkable capacity retention, featuring a 91% capacity retention after 3300 cycles. In this work, we use high-resolution transmission electron microscopy (HRTEM), energy dispersive x-ray spectroscopy (EDS), and electron energy loss spectroscopy (EELS) to study the gradual capacity fading mechanism of LiFePO4 materials. We found that upon prolonged electrochemical cycling of the battery, the LiFePO4 cathode shows surface amorphization and loss of oxygen species, which directly contribute to the gradual capacity fading of the battery. The finding is of great importance for the design and improvement of new LiFePO4 cathode for high-energy and high-power rechargeable battery for electric transportation.

  8. Mechanical design of recirculating accelerator experiments for heavy-ion fusion

    International Nuclear Information System (INIS)

    Karpenko, V.

    1995-01-01

    Recirculating induction accelerators have been studied as a potential low cost driver for inertial fusion energy. At LLNL, we are developing a small (4.5-m diameter), scaled, experimental machine which will demonstrate many of the engineering solutions of a full scale driver. The small recirculator will accelerate singly ionized potassium ions from 80 to 320 keV and 2 to 8 mA, using electric dipoles for bending and permanent magnet quadrupoles for focusing in a compact periodic lattice. While very compact, and low cost, this design allows the investigation of most of the critical physics issues associated with space-charge-dominated beams in future IFE power plant drivers. This report describes the recirculator, its mechanical design, its vacuum design, and the process for aligning it. Additionally, a straight magnetic transport experiment is being carried out to test diagnostics and magnetic transport in preparation for the recirculator

  9. Mechanical properties of micro-sized copper bending beams machined by the focused ion beam technique

    International Nuclear Information System (INIS)

    Motz, C.; Schoeberl, T.; Pippan, R.

    2005-01-01

    Micro-sized bending beams with thicknesses, t, from 7.5 down to 1.0 μm were fabricated with the focused ion beam technique from a copper single crystal with an {1 1 1} orientation. The beams were loaded with a nano-indenter and the force vs. displacement curves were recorded. A strong size effect was found where the flow stress reaches almost 1 GPa for the thinnest beams. A common strain gradient plasticity approach was used to explain the size effect. However, the strong t -1.14 dependence of the flow stress could not be explained by this model. Additionally, the combination of two other dislocation mechanisms is discussed: the limitation of available dislocation sources and a dislocation pile-up at the beam centre. The contribution of the pile-up stress to the flow stress gives a t -1 dependence, which is in good agreement with the experimental results

  10. Reactive Ion Etching as Cleaning Method Post Chemical Mechanical Polishing for Phase Change Memory Device

    International Nuclear Information System (INIS)

    Min, Zhong; Zhi-Tang, Song; Bo, Liu; Song-Lin, Feng; Bomy, Chen

    2008-01-01

    In order to improve nano-scale phase change memory performance, a super-clean interface should be obtained after chemical mechanical polishing (CMP) of Ge 2 Sb 2 Te 5 phase change films. We use reactive ion etching (RIE) as the cleaning method. The cleaning effect is analysed by scanning electron microscopy and an energy dispersive spectrometer. The results show that particle residue on the surface has been removed. Meanwhile, Ge 2 Sb 2 Te 5 material stoichiometric content ratios are unchanged. After the top electrode is deposited, current-voltage characteristics test demonstrates that the set threshold voltage is reduced from 13 V to 2.7V and the threshold current from 0.1mA to 0.025mA. Furthermore, we analyse the RIE cleaning principle and compare it with the ultrasonic method

  11. Probing the failure mechanism of nanoscale LiFePO4 for Li-ion batteries

    International Nuclear Information System (INIS)

    Gu, Meng; Yan, Pengfei; Wang, Chongmin; Shi, Wei; Zheng, Jianming; Zhang, Ji-guang

    2015-01-01

    LiFePO 4 is a high power rate cathode material for lithium ion battery and shows remarkable capacity retention, featuring a 91% capacity retention after 3300 cycles. In this work, we use high-resolution transmission electron microscopy and electron energy loss spectroscopy to study the gradual capacity fading mechanism of LiFePO 4 materials. We found that upon prolonged electrochemical cycling of the battery, the LiFePO 4 cathode shows surface amorphization and loss of oxygen species, which directly contribute to the gradual capacity fading of the battery. The finding can guide the design and improvement of LiFePO 4 cathode for high-energy and high-power rechargeable battery for electric transportation

  12. Catapult mechanism for fast particle emission in fission and heavy ion reactions

    International Nuclear Information System (INIS)

    Maedler, P.

    1984-01-01

    The fission processes of slabs of nuclear matter is modelled in the Hartree-Fock time dependence approximation by adding an initial collective velocity field to the static self-consistent solution. In dependence on its amplitude either large amplitude density oscillations are excited or fission occurs. The final disintegration of the slab proceeds on a time scale 10 -22 s and is characterized by a sharp peak in the actual velocity field in the region of the ''snatching'' inner low density tails. A characteristic time later a low density lump correlated with a peak in the velocity field energies in front of the fragments. These particles are called ''catapult particles''. Recent experimental results possibly provide evidence for catapult neutrons in low-energy fission. The significance of the catapult mechanism for fast particle emission in the exit channel of heavy ion reactions is discussed

  13. Fast ion stabilization of the ion temperature gradient driven modes in the Joint European Torus hybrid-scenario plasmas: a trigger mechanism for internal transport barrier formation

    Energy Technology Data Exchange (ETDEWEB)

    Romanelli, M; Zocco, A [Euratom/CCFE Fusion Association, Culham Science Centre, Abingdon, Oxon, OX14 3DB (United Kingdom); Crisanti, F, E-mail: Michele.Romanelli@ccfe.ac.u [Associazione Euratom-ENEA sulla Fusione, C.R. Frascati, Frascati (Italy)

    2010-04-15

    Understanding and modelling turbulent transport in thermonuclear fusion plasmas are crucial for designing and optimizing the operational scenarios of future fusion reactors. In this context, plasmas exhibiting state transitions, such as the formation of an internal transport barrier (ITB), are particularly interesting since they can shed light on transport physics and offer the opportunity to test different turbulence suppression models. In this paper, we focus on the modelling of ITB formation in the Joint European Torus (JET) [1] hybrid-scenario plasmas, where, due to the monotonic safety factor profile, magnetic shear stabilization cannot be invoked to explain the transition. The turbulence suppression mechanism investigated here relies on the increase in the plasma pressure gradient in the presence of a minority of energetic ions. Microstability analysis of the ion temperature gradient driven modes (ITG) in the presence of a fast-hydrogen minority shows that energetic ions accelerated by the ion cyclotron resonance heating (ICRH) system (hydrogen, n{sub H,fast}/n{sub D,thermal} up to 10%, T{sub H,fast}/T{sub D,thermal} up to 30) can increase the pressure gradient enough to stabilize the ITG modes driven by the gradient of the thermal ions (deuterium). Numerical analysis shows that, by increasing the temperature of the energetic ions, electrostatic ITG modes are gradually replaced by nearly electrostatic modes with tearing parity at progressively longer wavelengths. The growth rate of the microtearing modes is found to be lower than that of the ITG modes and comparable to the local E x B-velocity shearing rate. The above mechanism is proposed as a possible trigger for the formation of ITBs in this type of discharges.

  14. Representative-Sandwich Model for Mechanical-Crush and Short-Circuit Simulation of Lithium-ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chao; Santhanagopalan, Shriram; Sprague, Michael A.; Pesaran, Ahmad A.

    2015-07-28

    Lithium-ion batteries are currently the state-of-the-art power sources for a variety of applications, from consumer electronic devices to electric-drive vehicles (EDVs). Being an energized component, failure of the battery is an essential concern, which can result in rupture, smoke, fire, or venting. The failure of Lithium-ion batteries can be due to a number of external abusive conditions (impact/crush, overcharge, thermal ramp, etc.) or internal conditions (internal short circuits, excessive heating due to resistance build-up, etc.), of which the mechanical-abuse-induced short circuit is a very practical problem. In order to better understand the behavior of Lithium-ion batteries under mechanical abuse, a coupled modeling methodology encompassing the mechanical, thermal and electrical response has been developed for predicting short circuit under external crush.

  15. Growth of surface structures correlated with structural and mechanical modifications of brass by laser-induced Si plasma ions implantation

    Science.gov (United States)

    Ahmad, Shahbaz; Bashir, Shazia; Rafique, M. Shahid; Yousaf, Daniel

    2017-04-01

    Laser-produced Si plasma is employed as an ion source for implantation on the brass substrate for its surface, structural, and mechanical modifications. Thomson parabola technique is employed for the measurement of energy and flux of Si ions using CR-39. In response to stepwise increase in number of laser pulses from 3000 to 12000, four brass substrates were implanted by laser-induced Si plasma ions of energy 290 keV at different fluxes ranging from 45 × 1012 to 75 × 1015 ions/cm2. SEM analysis reveals the formation of nano/micro-sized irregular shaped cavities and pores for the various ion fluxes for varying numbers of laser pulses from 3000 to 9000. At the maximum ion flux for 12,000 pulses, distinct and organized grains with hexagonal and irregular shaped morphology are revealed. X-ray diffractometer (XRD) analysis exhibits that a new phase of CuSi (311) is identified which confirms the implantation of Si ions in brass substrate. A significant decrease in mechanical properties of implanted brass, such as Yield Stress (YS), Ultimate Tensile Strength (UTS), and hardness, with increasing laser pulses from 3000 to 6000 is observed. However, with increasing laser pulses from 9000 to a maximum value of 12,000, an increase in mechanical properties like hardness, YS, and UTS is observed. The generation as well as annihilation of defects, recrystallization, and intermixing of Si precipitates with brass matrix is considered to be responsible for variations in surface, structural, and mechanical modifications of brass.

  16. Different structural requirements for functional ion pore transplantation suggest different gating mechanisms of NMDA and kainate receptors.

    Science.gov (United States)

    Villmann, Carmen; Hoffmann, Jutta; Werner, Markus; Kott, Sabine; Strutz-Seebohm, Nathalie; Nilsson, Tanja; Hollmann, Michael

    2008-10-01

    Although considerable progress has been made in characterizing the physiological function of the high-affinity kainate (KA) receptor subunits KA1 and KA2, no homomeric ion channel function has been shown. An ion channel transplantation approach was employed in this study to directly test if homomerically expressed KA1 and KA2 pore domains are capable of conducting currents. Transplantation of the ion pore of KA1 or KA2 into GluR6 generated perfectly functional ion channels that allowed characterization of those electrophysiological and pharmacological properties that are determined exclusively by the ion pore of KA1 or KA2. This demonstrates for the first time that KA1 and KA2 ion pore domains are intrinsically capable of conducting ions even in homomeric pore assemblies. NMDA receptors, similar to KA1- or KA2-containing receptors, function only as heteromeric complexes. They are composed of NR1 and NR2 subunits, which both are non-functional when expressed homomerically. In contrast to NR1, the homomeric NR2B ion pore failed to translate ligand binding into pore opening when transplanted into GluR6. Similarly, heteromeric coexpression of the ion channel domains of both NR1 and NR2 inserted into GluR6 failed to produce functional channels. Therefore, we conclude that the mechanism underlying the ion channel opening in the obligatorily heterotetrameric NMDA receptors differs significantly from that in the facultatively heterotetrameric alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionate and KA receptors.

  17. Reaction mechanism and thermal stability study on cathode materials for rechargeable lithium ion batteries

    Science.gov (United States)

    Fang, Jin

    Olivine-type lithium iron phosphate has been a very promising cathode material since it was proposed by Padhi in 1997, low-cost, environmental friendly and stable structure ensure the commercialization of LiFePO 4. In LiFePO4, during charge and discharge process, Li ions are transferred between two phases, Li-poor LialphaFePO 4 and Li-rich Li1-betaFePO4, which implies a significant energy barrier for the new phase nucleation and interface growth, contrary to the fast reaction kinetics experimentally observed. The understanding of the lithiation and delithiation mechanism of this material has spurred a lot of research interests. Many theory models have been proposed to explain the reaction mechanism of LiFePO4, among them, the single phase model claims that the reaction goes through a metastable single phase, and the over potential required to form this single phase is about 30mV, so we studied the driving force to transport lithium ions between Lialpha FePO4 and Li1-betaFePO4 phases and compared the particle sizes effect. Experiment results shows that, the nano-sized (30nm) LiFePO4 has wider solid solution range, lower solid solution formation temperature and faster kinetics than normal LiFePO4 (150nm). Also a 20mV over potential was observed in both samples, either after relaxing the FePO4/LiFePO4 system to equilibrium or transport lithium from one side to the other side, the experiment result is corresponding to theoretical calculation; indicates the reaction might go through single-phase reaction mechanism. The energy and power density of lithium ion battery largely depend on cathode materials. Mn substituted LiFePO4 has a higher voltage than LiFePO4, which results a higher theoretical energy density. Safety issue is one of the most important criterions for batteries, since cathode materials need to maintain stable structure during hundreds of charge and discharge cycles and ranges of application conditions. We have reported that iron-rich compound o-Fe1-yMnyPO4

  18. Inhibition mechanism of lanthanum ion on the activity of horseradish peroxidase in vitro

    Science.gov (United States)

    Guo, Shaofen; Wang, Lihong; Lu, Aihua; Lu, Tianhong; Ding, Xiaolan; Huang, Xiaohua

    2010-02-01

    In order to understand the inhibition mechanism of lanthanum ion (La 3+) on the activity of horseradish peroxidase (HRP), the effects of La 3+ on the activity, electron transfer and conformation of HRP in vitro were investigated by using cyclic voltammetry (CV), atomic force microscopy (AFM), circular dichroism (CD), high performance liquid chromatography (HPLC), matrix-assisted laser desorption/ionization time-of-flight mass spectroscopy (MALDI-TOF/MS) and inductively coupled plasma mass spectrometry (ICP-MS). It was found that La 3+ can combine with the amide groups of the polypeptide chain in HRP molecule, forming the complex of La 3+ and HRP (La-HRP). The formation of the La-HRP complex causes the destruction of the native structure of HRP molecule, leading to the decrease in the non-planarity of the porphyrin ring in the heme group of HRP molecule, and then in the exposure extent of active center, Fe(III) of the porphyrin ring of HRP molecule. Thus, the direct electrochemical and catalytic activities of HRP are decreased. It is a possible inhibition mechanism of La 3+ on the activity of peroxidase.

  19. Mechanisms for Covalent Immobilization of Horseradish Peroxidase on Ion-Beam-Treated Polyethylene

    Directory of Open Access Journals (Sweden)

    Alexey V. Kondyurin

    2012-01-01

    Full Text Available The surface of polyethylene was modified by plasma immersion ion implantation. Structure changes including carbonization and oxidation were observed. High surface energy of the modified polyethylene was attributed to the presence of free radicals on the surface. The surface energy decay with storage time after treatment was explained by a decay of the free radical concentration while the concentration of oxygen-containing groups increased with storage time. Horseradish peroxidase was covalently attached onto the modified surface by the reaction with free radicals. Appropriate blocking agents can block this reaction. All aminoacid residues can take part in the covalent attachment process, providing a universal mechanism of attachment for all proteins. The native conformation of attached protein is retained due to hydrophilic interactions in the interface region. The enzymatic activity of covalently attached protein remained high. The long-term activity of the modified layer to attach protein is explained by stabilisation of unpaired electrons in sp2 carbon structures. A high concentration of free radicals can give multiple covalent bonds to the protein molecule and destroy the native conformation and with it the catalytic activity. The universal mechanism of protein attachment to free radicals could be extended to various methods of radiation damage of polymers.

  20. Unraveling the reaction mechanism of silver ions reduction by chitosan from so far neglected spectroscopic features.

    Science.gov (United States)

    Carapeto, Ana Patrícia; Ferraria, Ana Maria; do Rego, Ana Maria Botelho

    2017-10-15

    Metallic silver nanoparticles were synthesized in aqueous solution using chitosan, as both reducing and stabilizing agent, and AgNO 3 as silver precursor aiming the production of solid ultra-thin films. A systematic characterization of the resulting system as a function of the initial concentrations was performed. The combination of UV-vis absorption - and its quantitative analysis - with X-ray photoelectron spectra, light scattering measurements and atomic force microscopy allowed obtaining a rational picture of silver reduction mechanism through the identification of the nature of the formed reduced/oxidized species. Nanoparticle mean sizes and sizes distributions were rather independent from the precursors initial absolute and relative concentrations ([AgNO 3 ]/[chitosan]). This work clarifies some points of the mechanism involved showing experimental evidence of the early stages of the very fast silver reduction in chitosan aqueous solutions through the spectral signature of the smallest silver aggregate (Ag 2 + ) even at room temperature. The characterized system is believed to be useful for research fields where silver nanoparticles completely exempt of harmful traces of inorganic ions, coming from additional reducing agents, are needed, especially to be used in biocompatible in films. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Energy transfer mechanism between Ce and Tb ions in sol–gel synthesized YSO crystals

    International Nuclear Information System (INIS)

    Chiriu, Daniele; Stagi, Luigi; Carbonaro, Carlo Maria; Corpino, Riccardo; Ricci, Pier Carlo

    2016-01-01

    The luminescence properties of Tb and Ce in Rare Earth Doped crystalline oxides largely depend on their relative concentrations: by increasing the dopant concentration, the luminescence profile changes from blue to green because of the energy transfer among centers. The kinetic properties of the luminescence of optically excited Terbium–Cerium co-doped Y_2SiO_5 sol–gel synthesized crystal powders have been investigated as a function of the Tb dopant concentration (Ce content fixed at 1% atomic). The interaction among different Tb emitting centers and their relation with Ce centers was explained within the Inokuti-Hirayama model for a dipole–dipole energy transfer mechanism in the low-middle Tb concentration range whilst the Forster–Dexter model was applied in the middle-high Tb concentration range. The kinetic model allows elucidating the role of sensitizer and activator ion as a function of Tb concentration, successfully estimating the energy transfer mechanism efficiency and calculating the critical Tb concentration. - Highlights: • The kinetic properties of Ce, Tb recombination in YSO matrix were studied. • The Inokuti-Hirayama and Forster–Dexter models were applied. • At high Tb content, the Ce to Tb energy transfer acts through the dipole−quadrupole. • At low Tb content, the Ce to Tb energy transfer acts through the dipole−dipole. • The presence of Ce reduces the critical Tb concentration (at low Tb content).

  2. Energy transfer mechanism between Ce and Tb ions in sol–gel synthesized YSO crystals

    Energy Technology Data Exchange (ETDEWEB)

    Chiriu, Daniele; Stagi, Luigi; Carbonaro, Carlo Maria; Corpino, Riccardo; Ricci, Pier Carlo, E-mail: carlo.ricci@dsf.unica.it

    2016-03-01

    The luminescence properties of Tb and Ce in Rare Earth Doped crystalline oxides largely depend on their relative concentrations: by increasing the dopant concentration, the luminescence profile changes from blue to green because of the energy transfer among centers. The kinetic properties of the luminescence of optically excited Terbium–Cerium co-doped Y{sub 2}SiO{sub 5} sol–gel synthesized crystal powders have been investigated as a function of the Tb dopant concentration (Ce content fixed at 1% atomic). The interaction among different Tb emitting centers and their relation with Ce centers was explained within the Inokuti-Hirayama model for a dipole–dipole energy transfer mechanism in the low-middle Tb concentration range whilst the Forster–Dexter model was applied in the middle-high Tb concentration range. The kinetic model allows elucidating the role of sensitizer and activator ion as a function of Tb concentration, successfully estimating the energy transfer mechanism efficiency and calculating the critical Tb concentration. - Highlights: • The kinetic properties of Ce, Tb recombination in YSO matrix were studied. • The Inokuti-Hirayama and Forster–Dexter models were applied. • At high Tb content, the Ce to Tb energy transfer acts through the dipole−quadrupole. • At low Tb content, the Ce to Tb energy transfer acts through the dipole−dipole. • The presence of Ce reduces the critical Tb concentration (at low Tb content).

  3. Techniques and mechanisms applied in electron cyclotron resonance sources for highly charged ions

    NARCIS (Netherlands)

    Drentje, AG

    Electron cyclotron resonance ion sources are delivering beams of highly charged ions for a wide range of applications in many laboratories. For more than two decades, the development of these ion sources has been to a large extent an intuitive and experimental enterprise. Much effort has been spent

  4. Reaction mechanisms for the synthesis of the heaviest elements from heavy ion reactions

    International Nuclear Information System (INIS)

    Gaeggeler, H.W.

    1988-10-01

    This review paper concerns fusion reactions with light heavy-ions, cold fusion, transfer reactions using light heavy-ions or heavy ions. In two appendices, methods for the separation and detection of nuclides in the domain of heaviest elements are described and a comment on the discovery of the element 104 is given. 51 figs., 10 tabs., 335 refs

  5. Mechanism of the nanoscale localization of Ge quantum dot nucleation on focused ion beam templated Si(001) surfaces

    International Nuclear Information System (INIS)

    Portavoce, A; Kammler, M; Hull, R; Reuter, M C; Ross, F M

    2006-01-01

    We investigate the fundamental mechanism by which self-assembled Ge islands can be nucleated at specific sites on Si(001) using ultra-low-dose focused ion beam (FIB) pre-patterning. Island nucleation is controlled by a nanotopography that forms after the implantation of Ga ions during subsequent thermal annealing of the substrate. This nanotopography evolves during the annealing stage, changing from a nanoscale annular depression associated with each focused ion beam spot to a nanoscale pit, and eventually disappearing (planarizing). The correspondence of Ge quantum dot nucleation sites to the focused ion beam features requires a growth surface upon which the nanotopography is preserved. A further key observation is that the Ge wetting layer thickness is reduced in patterned regions, allowing the formation of islands on the templated regions without nucleation elsewhere. These results provide routes to the greatly enhanced design and control of quantum dot distributions and dimensions

  6. Electron loss mechanisms in collisions of He+ ions with various targets

    International Nuclear Information System (INIS)

    Sant'Anna, M.M.; Melo, W.S.; Santos, A.C.F.; Sigaud, G.M.; Montenegro, E.C.

    1995-01-01

    The electron loss of high-velocity ions by neutral atoms is due to two different and competing mechanisms. In the screening mode, the electron loss is basically due to the nucleus-electron interaction, with the target electrons assuming the passive role of decreasing the Coulomb field of the target nucleus in the vicinity of the projectile active electron. For a fixed projectile velocity, this contribution is expected to give a non-linear dependence with the target atomic number Z 2 due to the incomplete screening at the impact parameter region where the projectile ionization is more likely to occur. Within first-order theories, if the screening is completely absent, the expected dependence would be Z 2 2 ; with screening, it should scale between Z 2 and Z 2 2 . On the other hand, in the antiscreening mode, where the loss is due to the action of the target electrons and the target nucleus plays no active role, the expected dependence would be approximately linear with Z 2 . Thus, for first-order theories, the expected overall dependence with Z 2 would be dominated by the screening mode as Z 2 increases. We have measured total electron-loss cross sections of He + ions impinging upon He, Ne, Ar, Kr and Xe targets in the energy range from 1.0 to 4.0 MeV to complement previous measurements and the results point towards a much smaller contribution from the screening mode than expected from first-order theories, possibly due to a saturation effect manifested only in the screening channel. (orig.)

  7. On mechanism of low-energy heavy ions scattering on a target surface with small atomic mass

    Energy Technology Data Exchange (ETDEWEB)

    Umarov, F.F. E-mail: farid1945@yahoo.com; Bazarbaev, N.N.; Kudryashova, L.B.; Krylov, N.M

    2002-11-01

    In the present work, an experimental study of low-energy (E{sub 0}=20-500 eV) heavy Cs{sup +} ions scattering on target surfaces with small atomic masses (Al, Si, Ni) has been performed for more accurate definition of mechanism of scattering and evaluation of an opportunity for use of heavy ions scattering as a tool of surface layer analysis. It is shown that the dependence of the relative energies of scattered ions versus the initial energy E/E{sub 0} (E{sub 0}) for Si (E{sub b}=4.64 eV/atom) and Ni (E{sub b}=4.43 eV/atom) approximately coincide despite the fact that the mass of Ni atom is twice as large as that of the Si atom mass. At the same time their binding energies E{sub b} are approximately equal to each other. It is found that the scattering angles of Cs{sup +} ions considerably exceed a limiting scattering angle {theta}{sub lim} in a single collision. It has been established that the scattering of low-energy heavy ions by light targets is described by a non-binary mechanism of many-particle interactions (simultaneous ion interaction with several target atoms). It has been shown that during the many-particle interactions the structure of energy spectra disappears; high relative energy of scattering ions and their dependence on energy of bombardment is observed. It has been found that the energy of scattered ions depends on binding energy, melting temperature and packing density of target atoms.

  8. Interstitial positions of tin ions in alpha-(FerichSn)(2)O-3 solid solutions prepared by mechanical alloying

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Lin, Rong; Nielsen, Kurt

    1997-01-01

    The microstructure of samples of 91, 85, and 71 mol % alpha-Fe-2-O-3-SnO2. prepared by mechanical alloying, has been studied by x-ray diffraction with Rietveld structure refinements, On the basis of the structure refinements to the whole x-ray diffraction patterns for the four as-milled samples, ......, it is found that tin ions do not substitute iron ions in the solid solution, although this model is generally assumed in the literature. The Sn4+ ions occupy the empty octahedral holes in the lattice of the alpha-Fe2O3 phase.......The microstructure of samples of 91, 85, and 71 mol % alpha-Fe-2-O-3-SnO2. prepared by mechanical alloying, has been studied by x-ray diffraction with Rietveld structure refinements, On the basis of the structure refinements to the whole x-ray diffraction patterns for the four as-milled samples...

  9. Lead titanate nanotubes synthesized via ion-exchange method: Characteristics and formation mechanism

    International Nuclear Information System (INIS)

    Song Liang; Cao Lixin; Li Jingyu; Liu Wei; Zhang Fen; Zhu Lin; Su Ge

    2011-01-01

    Highlights: → Lead titanate nanotubes PbTi 3 O 7 were firstly synthesized by ion-exchange method. → Sodium titanate nanotubes have ion exchangeability. → Lead titanate nanotubes show a distinct red shift on absorption edge. - Abstract: A two-step method is presented for the synthesis of one dimensional lead titanate (PbTi 3 O 7 ) nanotubes. Firstly, titanate nanotubes were prepared by an alkaline hydrothermal process with TiO 2 nanopowder as precursor, and then lead titanate nanotubes were formed through an ion-exchange reaction. We found that sodium titanate nanotubes have ion exchangeability with lead ions, while protonated titanate nanotubes have not. For the first time, we distinguished the difference between sodium titanate nanotubes and protonated titanate nanotubes in the ion-exchange process, which reveals a layer space effect of nanotubes in the ion-exchange reaction. In comparison with sodium titanate, the synthesized lead titanate nanotubes show a narrowed bandgap.

  10. Study of the mechanisms of heavy-ion induced desorption on accelerator-relevant materials

    International Nuclear Information System (INIS)

    Bender, Markus

    2008-01-01

    The ion beam loss induced desorption is a performance limitation for low charge state heavy ion accelerators. If charge exchanged projectile ions get lost onto the beam pipe, desorption of gas is stimulated resulting in a pressure increase inside of the synchrotron and thus, a dramatically reduction of the beam life time. To minimize the amount of desorbed gas an experimental program has been started to measure the desorption yields (released gas molecules per incident ion) of various materials and different projectile ions. The present work is a contribution to the understanding of the physical processes behind the ion beam loss induced desorption. The yield measurements by the pressure rise method have been combined for the rst time with in situ ion beam analysis technologies such as ERDA and RBS. With this unique method the desorption behavior of a sample can be correlated to its surface and bulk properties. The performed experiments with 1,4 MeV/u Xenon-Ions show that the ion induced desorption is mainly a surface effect. Sputtered oxide layers or impurities do not contribute to the desorbed gas significantly. Nevertheless bulk properties play an important role in the desorption strength. Pure metallic samples desorb less gas than isolating materials under swift heavy ion irradiation. From the experimental results it was possible to estimate the desorption yields of various materials under ion bombardment by means of an extended inelastic thermal-spike-model. The extension is the combination of the thermal-spike's temperature map with thermal desorption. Within this model the ion induced desorption can be regarded as the release of adsorbates from a transient overheated spot on the samples surface around the ion impact. Finally a copper substrate with a gold coated surface was developed and proposed as a suitable material for a beam loss collimator with minimum desorption to ensure the performance of GSI's SIS18 in high current beam operation. (orig.)

  11. Charge transport mechanism in p-type copper ion containing triazine thiolate metallopolymer thin film devices

    Science.gov (United States)

    K, Deepak; Roy, Amit; Anjaneyulu, P.; Kandaiah, Sakthivel; Pinjare, Sampatrao L.

    2017-10-01

    The charge transport mechanism in copper ions containing 1,3,5-Triazine-2,4,6-trithiolate (CuTCA) based polymer device in sandwich (Ag/CuTCA/Cu) geometry is studied. The current-voltage (I-V) characteristics of the metallopolymer CuTCA device have shown a transition in the charge transport mechanism from Ohmic to Space-charge limited conduction when temperature and voltage are varied. The carriers in CuTCA devices exhibit hopping transport, in which carriers hop from one site to the other. The hole mobility in this polymer device is found to be dependent on electric field E ( μpα√{E } ) and temperature, which suggests that the polymer has inherent disorder. The electric-field coefficient γ and zero-field mobility μ0 are temperature dependent. The values of mobility and activation energies are estimated from temperature (90-140 K) dependent charge transport studies and found to be in the range of 1 × 10-11-8 × 10-12 m2/(V s) and 16.5 meV, respectively. Temperature dependent electric-field coefficient γ is in the order of 17.8 × 10-4 (m/V)1/2, and the value of zero-field mobility μ0 is in the order of 1.2 × 10-11 m2/(V s) at 140 K. A constant phase element (Q) is used to model the device parameters, which are extracted using the Impedance spectroscopy technique. The bandgap of the polymer is estimated to be 2.6 eV from UV-Vis reflectance spectra.

  12. On mechanism of low-energy heavy ions scattering on a target surface with small atomic mass

    CERN Document Server

    Umarov, F F; Kudryashova, L B; Krylov, N M

    2002-01-01

    In the present work, an experimental study of low-energy (E sub 0 =20-500 eV) heavy Cs sup + ions scattering on target surfaces with small atomic masses (Al, Si, Ni) has been performed for more accurate definition of mechanism of scattering and evaluation of an opportunity for use of heavy ions scattering as a tool of surface layer analysis. It is shown that the dependence of the relative energies of scattered ions versus the initial energy E/E sub 0 (E sub 0) for Si (E sub b =4.64 eV/atom) and Ni (E sub b =4.43 eV/atom) approximately coincide despite the fact that the mass of Ni atom is twice as large as that of the Si atom mass. At the same time their binding energies E sub b are approximately equal to each other. It is found that the scattering angles of Cs sup + ions considerably exceed a limiting scattering angle theta sub l sub i sub m in a single collision. It has been established that the scattering of low-energy heavy ions by light targets is described by a non-binary mechanism of many-particle inter...

  13. Underlying role of mechanical rigidity and topological constraints in physical sputtering and reactive ion etching of amorphous materials

    Science.gov (United States)

    Bhattarai, Gyanendra; Dhungana, Shailesh; Nordell, Bradley J.; Caruso, Anthony N.; Paquette, Michelle M.; Lanford, William A.; King, Sean W.

    2018-05-01

    Analytical expressions describing ion-induced sputter or etch processes generally relate the sputter yield to the surface atomic binding energy (Usb) for the target material. While straightforward to measure for the crystalline elemental solids, Usb is more complicated to establish for amorphous and multielement materials due to composition-driven variations and incongruent sublimation. In this regard, we show that for amorphous multielement materials, the ion-driven yield can instead be better understood via a consideration of mechanical rigidity and network topology. We first demonstrate a direct relationship between Usb, bulk modulus, and ion sputter yield for the elements, and then subsequently prove our hypothesis for amorphous multielement compounds by demonstrating that the same relationships exist between the reactive ion etch (RIE) rate and nanoindentation Young's modulus for a series of a -Si Nx :H and a -Si OxCy :H thin films. The impact of network topology is further revealed via application of the Phillips-Thorpe theory of topological constraints, which directly relates the Young's modulus to the mean atomic coordination () for an amorphous solid. The combined analysis allows the trends and plateaus in the RIE rate to be ultimately reinterpreted in terms of the atomic structure of the target material through a consideration of . These findings establish the important underlying role of mechanical rigidity and network topology in ion-solid interactions and provide additional considerations for the design and optimization of radiation-hard materials in nuclear and outer space environments.

  14. An investigation on the mechanism of sublimed DHB matrix on molecular ion yields in SIMS imaging of brain tissue.

    Science.gov (United States)

    Dowlatshahi Pour, Masoumeh; Malmberg, Per; Ewing, Andrew

    2016-05-01

    We have characterized the use of sublimation to deposit matrix-assisted laser desorption/ionization (MALDI) matrices in secondary ion mass spectrometry (SIMS) analysis, i.e. matrix-enhanced SIMS (ME-SIMS), a common surface modification method to enhance sensitivity for larger molecules and to increase the production of intact molecular ions. We use sublimation to apply a thin layer of a conventional MALDI matrix, 2,5-dihydroxybenzoic acid (DHB), onto rat brain cerebellum tissue to show how this technique can be used to enhance molecular yields in SIMS while still retaining a lateral resolution around 2 μm and also to investigate the mechanism of this enhancement. The results here illustrate that cholesterol, which is a dominant lipid species in the brain, is decreased on the tissue surface after deposition of matrix, particularly in white matter. The decrease of cholesterol is followed by an increased ion yield of several other lipid species. Depth profiling of the sublimed rat brain reveals that the lipid species are de facto extracted by the DHB matrix and concentrated in the top most layers of the sublimed matrix. This extraction/concentration of lipids directly leads to an increase of higher mass lipid ion yield. It is also possible that the decrease of cholesterol decreases the potential suppression of ion yield caused by cholesterol migration to the tissue surface. This result provides us with significant insights into the possible mechanisms involved when using sublimation to deposit this matrix in ME-SIMS.

  15. Sequential Modular Position and Momentum Measurements of a Trapped Ion Mechanical Oscillator

    Science.gov (United States)

    Flühmann, C.; Negnevitsky, V.; Marinelli, M.; Home, J. P.

    2018-04-01

    The noncommutativity of position and momentum observables is a hallmark feature of quantum physics. However, this incompatibility does not extend to observables that are periodic in these base variables. Such modular-variable observables have been suggested as tools for fault-tolerant quantum computing and enhanced quantum sensing. Here, we implement sequential measurements of modular variables in the oscillatory motion of a single trapped ion, using state-dependent displacements and a heralded nondestructive readout. We investigate the commutative nature of modular variable observables by demonstrating no-signaling in time between successive measurements, using a variety of input states. Employing a different periodicity, we observe signaling in time. This also requires wave-packet overlap, resulting in quantum interference that we enhance using squeezed input states. The sequential measurements allow us to extract two-time correlators for modular variables, which we use to violate a Leggett-Garg inequality. Signaling in time and Leggett-Garg inequalities serve as efficient quantum witnesses, which we probe here with a mechanical oscillator, a system that has a natural crossover from the quantum to the classical regime.

  16. Mechanisms of Rose Bengal inhibition on SecA ATPase and ion channel activities.

    Science.gov (United States)

    Hsieh, Ying-Hsin; Huang, Ying-Ju; Jin, Jin-Shan; Yu, Liyan; Yang, Hsiuchin; Jiang, Chun; Wang, Binghe; Tai, Phang C

    2014-11-14

    SecA is an essential protein possessing ATPase activity in bacterial protein translocation for which Rose Bengal (RB) is the first reported sub-micromolar inhibitor in ATPase activity and protein translocation. Here, we examined the mechanisms of inhibition on various forms of SecA ATPase by conventional enzymatic assays, and by monitoring the SecA-dependent channel activity in the semi-physiological system in cells. We build on the previous observation that SecA with liposomes form active protein-conducting channels in the oocytes. Such ion channel activity is enhanced by purified Escherichia coli SecYEG-SecDF·YajC liposome complexes. Inhibition by RB could be monitored, providing correlation of in vitro activity and intact cell functionality. In this work, we found the intrinsic SecA ATPase is inhibited by RB competitively at low ATP concentration, and non-competitively at high ATP concentrations while the translocation ATPase with precursors and SecYEG is inhibited non-competitively by RB. The Inhibition by RB on SecA channel activity in the oocytes with exogenous ATP-Mg(2+), mimicking translocation ATPase activity, is also non-competitive. The non-competitive inhibition on channel activity has also been observed with SecA from other bacteria which otherwise would be difficult to examine without the cognate precursors and membranes. Copyright © 2014 Elsevier Inc. All rights reserved.

  17. Quantification and modeling of mechanical degradation in lithium-ion batteries based on nanoscale imaging.

    Science.gov (United States)

    Müller, Simon; Pietsch, Patrick; Brandt, Ben-Elias; Baade, Paul; De Andrade, Vincent; De Carlo, Francesco; Wood, Vanessa

    2018-06-14

    Capacity fade in lithium-ion battery electrodes can result from a degradation mechanism in which the carbon black-binder network detaches from the active material. Here we present two approaches to visualize and quantify this detachment and use the experimental results to develop and validate a model that considers how the active particle size, the viscoelastic parameters of the composite electrode, the adhesion between the active particle and the carbon black-binder domain, and the solid electrolyte interphase growth rate impact detachment and capacity fade. Using carbon-silicon composite electrodes as a model system, we demonstrate X-ray nano-tomography and backscatter scanning electron microscopy with sufficient resolution and contrast to segment the pore space, active particles, and carbon black-binder domain and quantify delamination as a function of cycle number. The validated model is further used to discuss how detachment and capacity fade in high-capacity materials can be minimized through materials engineering.

  18. Temperature effects on the interaction mechanisms between the europium (III) and uranyl ions and zirconium diphosphate

    International Nuclear Information System (INIS)

    Finck, N.

    2006-10-01

    Temperature should remain higher than 25 C in the near field environment of a nuclear waste repository for thousands years. In this context, the aim of this work is to study the temperature influence on the interaction mechanisms between europium (III) and uranyl ions and zirconium diphosphate, as well as the influence of a complexing medium (nitrate) on the sorption of the lanthanide. The experimental definition of the equilibria was achieved by combining a structural investigation with the macroscopic sorption data. Surface complexes were characterized at all temperatures (25 C to 90 C) by TRLFS experiments carried out on dry and in situ samples using an oven. This characterization was completed by XPS experiments carried out at 25 C on samples prepared at 25 C and 90 C. The reaction constants (surface hydration and cations sorption) were obtained by simulating the experimental data with the constant capacitance surface complexation model. The reaction constants temperature dependency allowed one to characterize thermodynamically the different reactions by application of the van't Hoff relation. The validity of this law was tested by performing microcalorimetric measurements of the sorption heat for both cations. (author)

  19. Mechanical Design of a Heavy Ion Beam Dump for the RIA Fragmentation Line

    CERN Document Server

    Stein, Werner; Conner, David L

    2005-01-01

    The RIA fragmentation line requires a beam stop for the primary beam downstream of the first dipole magnet. The beam may consist of U, Ca, Sn, Kr, or O ions. with a variety of power densities. The configuration with highest power density is for the U beam, with a spot size of 3 cm x 3 cm and a total power of up to 300 kW. The mechanical design of the dump that meets these criteria consists of a 50 cm diameter aluminum wheel with water coolant channels. A hollow drive shaft supplies the coolant water and connects the wheel to an electrical motor located in an air space in the floor above the dump. The beam strikes the wheel along the outer perimeter and passes through a thin window of aluminum where 10% of its power is absorbed and the remainder of the beam is absorbed in flowing water behind the window. Rotation of the wheel at 400 RPM results in maximum aluminum temperatures below 100 C and acceptably low thermal stresses of 5 ksi. Rotating the wheel also results in low radiation damage levels by spreading t...

  20. Mechanical Design of a Heavy Ion Beam Dump for the RIA Fragmentation Line

    Energy Technology Data Exchange (ETDEWEB)

    Stein, W; Ahle, L E; Conner, D L

    2005-04-28

    The RIA fragmentation line requires a beam stop for the primary beam downstream of the first dipole magnet. The beam may consist of U, Ca, Sn, Kr, or O ions. with a variety of power densities. The configuration with highest power density is for the U beam, with a spot size of 3 cm x 3 cm and a total power of up to 300 kW. The mechanical design of the dump that meets these criteria consists of a 70 cm diameter aluminum wheel with water coolant channels. A hollow drive shaft supplies the coolant water and connects the wheel to an electrical motor located in an adjacent air space. The beam strikes the wheel along the outer perimeter and passes through a thin window of aluminum where 15% of its power is absorbed and the remainder of the beam is absorbed in flowing water behind the window. Rotation of the wheel at 400 RPM results in maximum aluminum temperatures below 100 C and acceptably low thermal stresses of 3 ksi. Rotating the wheel also results in low radiation damage levels by spreading the damage out over the whole perimeter of the wheel. For some of the other beams, a stationary dump consisting of a thin aluminum window with water acting as a coolant and absorber appears to be feasible.

  1. Mechanism of ion output for the MI-1305 mass-spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Kornyushkin, YW D; Stavrovich, N V [Leningradskij Inst. Tochnoj Mekhaniki i Optiki (USSR)

    1976-01-01

    An attachment to MJ-1305 mass-spectrometer for ion ejection enabling to study interaction of ions and substance is designed. The attachment is accomodated with a block of diaphragms forming a beam of primary ions. A magneto-discharge pump has been used to improve vacuum in a sample chamber up to 5x10/sup -8/ torr. An universal exit slit permits producing ion beam currents ranging from 10/sup -9/ to 10/sup -10/ A with 4 keV energy under operating conditions of the spectrometer as an ion source. To ensure a higher noise stability of the measuring circuit the ion current is measured through a variable signal with synchronous detection employed.

  2. Mechanical and structural properties of fluorine-ion-implanted boron suboxide

    CSIR Research Space (South Africa)

    Machaka, R

    2011-09-01

    Full Text Available such as diffusion, solubility, deposi- tion, and alloy formation by providing high kinetic energy through ion impact and utilizing ballistic effects during ion- solid interaction [1?4]. Moreover, ion implantation allows the precise control of the ion energy, ion... annealing, and diffusion processes taking place during ion implantation. Advances in Materials Science and Engineering 3 Acc. V Det WD 5 ?m 512 kV 5000x CL 11.9 B6O Spot Magn (a) 0 1 2 3 4 5 6 7 8 0 0.3 0.6 0.9 1.3 1.6 KC n t Energy (keV) B...

  3. MECHANISMS CONTROLLING Ca ION RELEASE FROM SOL-GEL DERIVED IN SITU APATITE-SILICA NANOCOMPOSITE POWDER

    Directory of Open Access Journals (Sweden)

    Seyed Mohsen Latifi

    2015-03-01

    Full Text Available Ca ion release from bioactive biomaterials could play an important role in their bioactivity and osteoconductivity properties. In order to improve hydroxyapatite (HA dissolution rate, in situ apatite-silica nanocomposite powders with various silica contents were synthesized via sol-gel method and mechanisms controlling the Ca ion release from them were investigated. Obtained powders were characterized by X-ray diffraction (XRD and transmission electron spectroscopy (TEM techniques, acid dissolution test, and spectroscopy by atomic absorption spectrometer (AAS. Results indicated the possible incorporation of (SiO44- into the HA structure and tendency of amorphous silica to cover the surface of HA particles. However, 20 wt. % silica was the lowest amount that fully covered HA particles. All of the nanocomposite powders showed more Ca ion release compared with pure HA, and HA - 10 wt. % silica had the highest Ca ion release. The crystallinity, the crystallite size, and the content of HA, along with the integrity, thickness, and ion diffusion possibility through the amorphous silica layer on the surface of HA, were factors that varied due to changes in the silica content and were affected the Ca ion release from nanocomposite powders.

  4. Highly Efficient Adsorption of Copper Ions by a PVP-Reduced Graphene Oxide Based On a New Adsorptions Mechanism

    Institute of Scientific and Technical Information of China (English)

    Yongji Zhang; HuiJuan Chi; WenHui Zhang; Youyi Sun; Qing Liang; Yu Gu; Riya Jing

    2014-01-01

    Polyvinylpyrrolidone-reduced graphene oxide was prepared by modified hummers method and was used as adsorbent for removing Cu ions from wastewater. The effects of contact time and ions concentration on adsorption capacity were examined. The maximum adsorption capacity of 1689 mg/g was observed at an initial p H value of 3.5 after agitating for 10 min. It was demonstrated that polyvinylpyrrolidone-reduced graphene oxide had a huge adsorption capacity for Cu ions, which was 10 times higher than maximal value reported in previous works. The adsorption mechanism was also discussed by density functional theory. It demonstrates that Cu ions are attracted to surface of reduced graphene oxide by C atoms in reduced graphene oxide modified by polyvinylpyrrolidone through physisorption processes, which may be responsible for the higher adsorption capacity. Our results suggest that polyvinylpyrrolidone-reduced graphene oxide is an effective adsorbent for removing Cu ions in wastewater. It also provides a new way to improve the adsorption capacity of reduced graphene oxide for dealing with the heavy metal ion in wastewater.

  5. Depression Mechanism of Strontium Ions in Bastnaesite Flotation with Salicylhydroxamic Acid as Collector

    Directory of Open Access Journals (Sweden)

    Shiming Cao

    2018-02-01

    Full Text Available Metal ions are widely present in flotation pulp. Metal ions change solution chemistry and mineral surface properties, consequently affecting mineral flotation. In this work, the effect of strontium ions on bastnaesite flotation with salicylhydroxamic acid (SHA was investigated by microflotation tests, contact angle measurements, zeta-potential measurements, and X-ray photoelectron spectroscopy (XPS analysis. Microflotation tests confirmed that the addition of strontium ions decreased bastnaesite floatability, compared with that in the absence of strontium ions. Contact angle measurements suggested that the pretreatment of strontium ions decreased SHA adsorption. Zeta potential measurements confirmed that the bastnaesite was depressed by the adsorption of positively charged strontium species, and the lower adsorption capacity of SHA onto the bastnaesite surfaces was obtained after modifying with strontium ions. XPS analysis demonstrated that strontium ions adsorbed onto the bastnaesite surfaces through the interaction between strontium ions and oxygen atoms of surface ≡ CeOH 0 groups. This occurrence hindered surface Ce sites which chelated with SHA and therefore, decreased bastnaesite floatability.

  6. Dissociation mechanism of HNIW ions investigated by chemical ionization and electron impact mass spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Rongjie; Xiao, Hemiao [School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China)

    2006-04-15

    Chemical Ionization (CI) with Collision-Induced Dissociation (CID) spectroscopy and Electron Impacting (EI) with metastable Mass analyzed Ion Kinetic Energy (MIKE) spectroscopy have been applied to study ionic dissociations of Hexanitrohexaazaisowurtzitane (HNIW). Similarities and differences between EI/MIKE and CI/CID mass spectra of HNIW were analyzed. In EI mass spectra, the ions [HNIW-n NO{sub 2}]{sup +} (n=2-5), such as the ion at m/z 347, were less frequent (1-2% relative abundance), but in CI mass spectra, these ions were very abundant. For some ions of large molar mass from HNIW, their dissociations pathways from parent ions to daughter ions were built according to CID and MIKE spectra. Molecular ions of HNIW with a protonated nitro group at five-member ring seem more stable than at six-member ring. The HNIW ions losing five of six nitro groups are very stable based on CID spectra, which agrees with some research results for thermal decomposition of HNIW in literature. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  7. Influence of surface mechanical activation of the X40Cr13 steel on roughness after ion and gas nitriding

    International Nuclear Information System (INIS)

    Jasinski, J.; Wojtal, A.; Jeziorski, L.; Radecki, A.; Ucieklak, S.

    2003-01-01

    The article describes the problem of the thermal and mechanical activation of the surface of the X40Cr13 steel on the state of the ion and gas nitriding. in order to determine the nitriding influence and make the analysis of results, the steel was subjected to: soft annealing, hardening with subsequent tempering at T = 550 o C and also mechanical activation of the surface consisting in peripheral grinding with abrasive papers of the grain size 60, 360, 1000 and mechanical polishing. The main aim of this work was to establish the influence of different surface geometrical structure, depending on X40Cr13 steel structure, on the roughness profile after ion and gas nitriding. With regard to the above, the examinations of basic roughness parameters prior to and after thermochemical processes and the analysis of utilitarian usefulness of activations applied were carried out. (author)

  8. Electrostatic mechanism of shaping the wave micro-relief on the surface of a semiconductor, sputtered by an ion beam

    International Nuclear Information System (INIS)

    Grigor'ev, A.I.

    2000-01-01

    The effect of the electric field formed due to the surface charging, is not accounted for in the weakly-developed theoretical models for the ordered micro-relief formation on the surface of a semiconductor under the impact of an ion beam. It is shown, that the problem on modeling the physical mechanism of forming the ordered wave micro-relief on the semiconductor surface under the impact of a high-energy ion beam may be interpreted as an electrostatic one [ru

  9. Mechanical characterization and ion release of bioactive dental composites containing calcium phosphate particles.

    Science.gov (United States)

    Natale, Livia C; Rodrigues, Marcela C; Alania, Yvette; Chiari, Marina D S; Boaro, Leticia C C; Cotrim, Marycel; Vega, Oscar; Braga, Roberto R

    2018-08-01

    to verify the effect of the addition of dicalcium phosphate dihydrate (DCPD) particles functionalized with di- or triethylene glycol dimethacrylate (DEGDMA or TEGDMA) on the degree of conversion (DC), post-gel shrinkage (PS), mechanical properties, and ion release of experimental composites. Four composites were prepared containing a BisGMA/TEGDMA matrix and 60 vol% of fillers. The positive control contained only barium glass fillers, while in the other composites 15 vol% of the barium was replaced by DCPD. Besides the functionalized particles, non-functionalized DCPD was also tested. DC after 24 h (n = 3) was determined by FTIR spectroscopy. The strain gage method was used to obtain PS 5 min after photoactivation (n = 5). Flexural strength and modulus (n = 10) were calculated based on the biaxial flexural test results, after specimen storage for 24 h or 60 days in water. The same storage times were used for fracture toughness testing (FT, n = 10). Calcium and phosphate release up to 60 days was quantified by ICP-OES (n = 3). Data were analyzed by ANOVA/Tukey test (alpha: 5%). Composites containing functionalized DCPD presented higher DC than the control (p composites (p composite with DEGDMA-functionalized DCPD presented fracture strength similar to the control, while for flexural modulus only the composite with TEGDMA-functionalized particles was lower than the control (p composites containing DCPD was higher than the control after 60 days (p composite with non-functionalized DCPD at 15 days and no significant reductions were observed for composites with functionalized DCPD during the observation period (p composites, phosphate release was higher at 15 days than in the subsequent periods, and no difference among them was recorded at 45 and 60 days (p composite with DEGDMA-functionalized particles was the only material with strength similar to the control after 60 days in water; however, it also presented the highest

  10. Ion implantation to improve mechanical and electrical properties of resistive materials based on ruthenium dioxide

    International Nuclear Information System (INIS)

    Byeli, A.V.; Shykh, S.K.; Beresina, V.P.

    1996-01-01

    This paper reports the influence of ion implantation, using different chemical species, on the surface micromorphology, wear resistance, coefficient of friction and electrical resistivity, and its variation during friction for resistive materials based on ruthenium dioxide. It is demonstrated that nitrogen and hydrogen ions are the most effective for modifying surface properties. (Author)

  11. Depth distribution of bubbles in He-ion irradiated nickel and the mechanism of blister formation

    International Nuclear Information System (INIS)

    Fenske, G.; Das, S.K.; Kaminsky, M.; Miley, G.H.

    1978-01-01

    Studies carried out to understand the experimental observation that the blister skin thickness for many metals irradiated with He + ions of energies lower than 20 keV is a factor of two or more larger than the calculated projected range are reported. Nickel foils were used with 20 and 500 keV helium ions

  12. Ceramic coatings by ion irradiation of polycarbosilanes and polysiloxanes. Pt. 1: Conversion mechanism

    International Nuclear Information System (INIS)

    Pivin, J.C.; Colombo, P.

    1997-01-01

    Changes of composition and structure of various types of polysiloxanes and polycarbosilanes when submitted to irradiation with ions of increasing mass, were analysed by means of several ion-beam analytical techniques, Raman and Fourier transform-infrared spectroscopes. Ion irradiations is as efficient as annealing at temperatures above 1000 o C for releasing hydrogen from these organic-inorganic polymers, and the radiolytic evolution of hydrogen is selective, whereas methane, silanes and carbon monoxide are also evolved during heat treatments. The kinetics of the polymer conversion into amorphous ceramics depends strongly on the linear density of energy transferred by ions to electron shells of target atoms, according to the ion energy per nucleon and to the nature of the side groups. Some of the carbon atoms segregate in clusters exhibiting a diamond-like hybridization state, in contrast to the clusters of turbostatic graphite formed in pyrolysed films. (Author)

  13. Concentrated ion beam emitted from an enlarged cylindrical-anode-layer Hall plasma accelerator and mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Geng, S. F.; Wang, C. X. [Southwestern Institute of Physics, Chengdu 610041 (China); Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon (Hong Kong); Tang, D. L.; Qiu, X. M. [Southwestern Institute of Physics, Chengdu 610041 (China); Chu, Paul K. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon (Hong Kong)

    2013-01-28

    An enlarged cylindrical-anode-layer Hall plasma accelerator with an outlet diameter of 150 mm is experimentally demonstrated to produce a concentrated ion beam, especially at a high discharge voltage, with a high current utilization efficiency of up to {approx}0.9. Numerical investigation based on the three-dimensional particle-in-cell method is performed to study the ion dynamics and elucidate the origin of the ion beam characteristics. The simulation results reveal that the equipotential lines play an important role in the surface near the anode emitting the ions. The ion emitting surface is determined by the magnetic field lines near the anode and the magnetic mirror contributes to the concentrated beam significantly. The high current utilization efficiency results from the appropriate obliquity of the magnetic mirror.

  14. Low-energy ion bombardment to tailor the interfacial and mechanical properties of polycrystalline 3C-silicon carbide

    International Nuclear Information System (INIS)

    Liu Fang; Li, Carolina H.; Pisano, Albert P.; Carraro, Carlo; Maboudian, Roya

    2010-01-01

    Low-energy Ar + ion bombardment of polycrystalline 3C-silicon carbide (poly-SiC) films is found to be a promising surface modification method to tailor the mechanical and interfacial properties of poly-SiC. The film average stress decreases as the ion energy and the bombardment time increase. Furthermore, this treatment is found to change the strain gradient of the films from positive to negative values. The observed changes in stress and strain gradient are explained by ion peening and thermal spikes models. In addition, the poly-SiC films show a significant enhancement in corrosion resistance by this treatment, which is attributed to a reduction in surface energy and to an increase in the compressive stress in the near-surface region.

  15. Electro-Analytical Study of Material Interfaces Relevant for Chemical Mechanical Planarization and Lithium Ion Batteries

    Science.gov (United States)

    Turk, Michael C.

    This dissertation work involves two areas of experimental research, focusing specifically on the applications of electro-analytical techniques for interfacial material characterization. The first area of the work is centered on the evaluation and characterization of material components used for chemical mechanical planarization (CMP) in the fabrication of semiconductor devices. This part also represents the bulk of the projects undertaken for the present dissertation. The other area of research included here involves exploratory electrochemical studies of certain electrolyte and electrode materials for applications in the development of advanced lithium ion secondary batteries. The common element between the two areas of investigation is the technical approach that combines a broad variety of electro-analytical characterization techniques to examine application specific functions of the associated materials and devices. The CMP related projects concentrate on designing and evaluating materials for CMP slurries that would be useful in the processing of copper interconnects for the sub-22 nm technology node. Specifically, ruthenium and cobalt are nontraditional barrier materials currently considered for the new interconnects. The CMP schemes used to process the structures based on these metals involve complex surface chemistries of Ru, Co and Cu (used for wiring lines). The strict requirement of defect-control while maintaining material removal by precisely regulated tribo-corrosion complicates the designs of the CMP slurries needed to process these systems. Since Ru is electrochemically more noble than Cu, the surface regions of Cu assembled in contact with Ru tend to generate defects due to galvanic corrosion in the CMP environment. At the same time, Co is strongly reactive in the typical slurry environment and is prone to developing galvanic corrosion induced by Cu. The present work explores a selected class of alkaline slurry formulations aimed at reducing these

  16. Charge compensation mechanisms in favor of the incorporation of the Eu3+ ion into the ZnO host lattice

    Science.gov (United States)

    Baira, M.; Bekhti-Siad, A.; Hebali, K.; Bouhani-Benziane, H.; Sahnoun, M.

    2018-05-01

    Eu3+ doped phosphors with charge compensation are potential candidates of red emitting phosphors for lamp applications. Charge compensation improves the luminescence performance of the material. The charge compensation can most probably be achieved by three possible mechanisms: (a) two Zn2+ ions are replaced by one Eu3+ ions and one monovalent cation, 2Zn2+ →Eu3++ Li+, where Li+ is acting as a charge compensator; (b) the charge compensation is provided by a zinc vacancy (VZn) defects, 3Zn2+ → 2Eu3++ VZn, the subscript Zn denotes an ion in a normal zinc site in the lattice; (c) two Zn2+ ions are replaced by one Eu3+ ions with the presence of interstitial oxygen (Oi), 2Zn2+ → 2Eu3++ Oi. Electronic structures of the crystals corresponding to the three models are evaluated by the first-principles quantum mechanical calculations based on the density functional theory. It is found that the charge compensator defects make Eu3+ doping in ZnO energetically more favorable. They break the local symmetry around the Eu3+ ion and lead to deep states below the empty upper band, the conduction band that could facilitate intra-4f shell transitions, which can obviously improve the emission intensity of Eu3+-doped ZnO. Therefore, the effect of these defects on the host crystals electronic band states relative to the Eu3+ states is reported, since both electron transfer and electronically energy transfer processes enhance the performance of optoelectronic devices based on this material. These theoretical insights are helpful for designing rare-earth doped oxide materials with high photoluminescence (PL) performance.

  17. The role of biomembrane lipids in the molecular mechanism of ion transport radiation damage

    International Nuclear Information System (INIS)

    Medvedev, B.I.; Evtodienko, Yu.V.; Yaguzhinsky, L.S.; Kuzin, A.M.

    1977-01-01

    Increase in the rate of ATP synthesis (I.4-I.6 times), Ca 2+ -capacity (I.4-I.8 times), membrane potential (by 20-50 mv) and decrease in K - -conductivity (2.5-3 times) in rat liver mitochondria was observed three hours after γ-irradiation at a dose of 1000r. The process of oxidative phosphorylation was normalized 24 hours later, whereas damages of Ca 2+ -accumulation and K + -conductivity remain. The molecular mechanism of reduction in K + -permeability of mitochondrial membranes has been studied. The endogenous regulators of ionic transport in the lipid phase of mitochondrial biomembranes were investigated before and after γ-irradiation. It was revealed that K + -conductivity of the artificial phospholipid membranes (APM) formed of the phospholipids from irradiated mitochondria was substantially lower than that in the control. Using thin-layer chromatography the minor phospholipid fraction which increases K + -conductivity of APM was isolated from the lipids of unirradiated mitochondria. In the lipid preparations of irradiated mitochondria the minor phospholipid fraction content is sharply lowered (or absent at all). Besides the content of lysoforms of phosphatidylcholine and phosphatidylethanolamine as well as that of fatty acids and cholesterol esters were reduced 24 hours after irradiation. Three compounds with different capability to increase the APM conductivity for monovalent ions were revealed in the composition of the minor fraction. One of these components was shown to be lysopolyglycerophosphatide (lysodiphosphatidylglycerol). The role of the enzyme systems involved in radiational changes of the membrane lipid components and the importance of these phenomena for cell radiosensitivity will be discussed

  18. Mechanical properties and corrosion resistance of supermartensitic stainless steel surfaces nitrided by plasma immersion ion implantation

    Energy Technology Data Exchange (ETDEWEB)

    Schibicheski, Bruna Corina Emanuely; Souza, Gelson Biscaia de; Oliveira, Willian Rafael de; Serbena, Francisco Carlos, E-mail: bruna_schibicheski@hotmail.com [Universidade Estadual de Ponta Grossa (UEPG), PR (Brazil); Marino, Cláudia E.B. [Universidade Federal do Paraná (UFPR), Curitiba, PR (Brazil)

    2016-07-01

    Full text: The supermartensitic stainless steel UNS S41426 is employed in marine oil and gas extraction ducts, where it is subjected to severe conditions of temperature, pressure and exposure to corrosive agents (as the H{sub 2}S). In such environments, pitting corrosion is a major cause of degradation of metallic alloys [1]. This work investigated the effectiveness of the nitrogen inlet, attained here by the plasma immersion ion implantation (PIII) technique, in improving the mechanical properties and corrosion resistance of the material surface. Samples were initially austenitized at 1100°C with a subsequent room temperature oil quenching in order to obtain a fully martensitic structure. The nitriding was carried out under 10 kV implantation energy and 30 ms pulse width. The temperatures ranged from 300 °C to 400°C, achieved by controlling the pulse repetition rates. Samples were characterized by X-ray diffraction, energy dispersive X-ray spectroscopy, instrumented indentation, scanning electron microscopy, potentiodynamic anodic polarization tests (in NaCl solution), and cathodic hydrogenation tests (in H{sub 2}SO{sub 4} solution). The PIII nitriding produced stratified layers up to 30 mm thick containing nitrogen expanded martensite and iron nitride phases (γ’-Fe{sub 4}N, ε- Fe{sub 2+x}N), depending on the treatment temperature. Consequently, the surface hardness increased from ∼3GPa (reference) up to ∼13GPa (400°C). Regarding the corrosion resistance, the nitrided surfaces presented a significant improvement as compared with the pristine surface, evidenced by the increase of the corrosion potential, which was also correlated to the hydrogen embrittlement reduction and the subsequent suppression of morphological changes. References: [1] M.G. Fontana, Corrosion Engineering, Singapore: McGraw-Hill, 1987. [2] B.C.E.S. Kurelo et al., Applied Surface Science 349 (2015) 403-414. (author)

  19. Hydroxy double salts loaded with bioactive ions: Synthesis, intercalation mechanisms, and functional performance

    International Nuclear Information System (INIS)

    Kaassis, Abdessamad Y.A.; Xu, Si-Min; Guan, Shanyue; Evans, David G.; Wei, Min; Williams, Gareth R.

    2016-01-01

    The intercalation of the anions of diclofenac (Dic), naproxen (Nap), and valproic acid (Val) into three hydroxy double salts (HDSs) has been explored in this work. Experiments were performed with [Co 1.2 Zn 3.8 (OH) 8 ](NO 3 ) 2 ·2H 2 O (CoZn-NO 3 ), [Ni 2 Zn 3 (OH) 8 ](NO 3 ) 2 ·2H 2 O (NiZn-NO 3 ) and [Zn 5 (OH) 8 ](NO 3 ) 2 ·2H 2 O (Zn-NO 3 ). It proved possible to intercalate diclofenac and naproxen into all three HDSs. In contrast, Val could be intercalated into CoZn-NO 3 but when it was reacted with Zn-NO 3 the HDS structure was destroyed, and the product comprised ZnO. Successful intercalation was verified by X-ray diffraction, IR spectroscopy, and elemental microanalysis. Molecular dynamics simulations showed the Dic and Nap ions to arrange themselves in an “X” shape in the interlayer space, forming a bilayer. Val was found to adopt a position with its aliphatic groups parallel to the HDS layer, again in a bilayer. In situ time resolved X-ray diffraction experiments revealed that intercalation of Dic and Nap into CoZn-NO 3 and Zn-NO 3 is mechanistically complex, with a number of intermediate phases observed. In contrast, the intercalation of all three guests into NiZn-NO 3 and of Val into CoZn-NO 3 are simple one step reactions proceeding directly from the starting material to the product. The HDS-drug composites were found to have sustained release profiles. - Graphical abstract: Seven new drug intercalates of hydroxy double salts (HDSs) have been prepared and characterised. The intercalation mechanisms have been explored, and the drug release properties of the HDS/drug composites quantified. Display Omitted

  20. Mechanisms and rules of anion partition into ionic liquids: phenolate ions in ionic liquid/water biphasic systems.

    Science.gov (United States)

    Katsuta, Shoichi; Nakamura, Ko-ichi; Kudo, Yoshihiro; Takeda, Yasuyuki

    2012-01-19

    It is important to understand the mechanisms and general rules of ion partitioning in hydrophobic ionic liquid (IL)/water biphasic systems in order to predict the extractability of an ionic species with various ILs. In this study, we have investigated the partition of picrate ion (target anion, T(-)) from aqueous sodium picrate solutions into several ILs and the accompanying changes in aqueous concentrations of the IL component cation (C(+)) and anion (A(-)) at 298.2 K. The main ILs examined are 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide, 1-butyl-3-methylimidazolium hexafluorophosphate, and 1-methyl-3-octylimidazolium bis(trifluoromethanesulfonyl)amide. The aqueous concentrations of C(+) and A(-) decreased and increased, respectively, with the extraction of T(-) into the IL phase. From the standpoint of equilibrium, the partition behavior of T(-) can be explained both by the anion exchange with A(-) in the IL phase and by the ion pair extraction with C(+) in the aqueous phase. The aqueous concentrations of C(+) and A(-) are governed by the solubility product of the IL (K(sp)). The distribution ratio of T(-) is expressed as a function of Δ[T(-)](W), namely, the difference between the initial and equilibrium concentrations of T(-) in the aqueous phase; the distribution ratio of T(-) is nearly constant when Δ[T(-)](W) < K(sp)(1/2), but decreases with increasing Δ[T(-)](W) in the larger Δ[T(-)](W) region. The equilibrium constants of the ion pair extraction and the ion exchange extraction have been determined for picrate and other phenolate ions whose partition data were previously reported. The dependences of the extraction constants and extractability on the kinds of IL component ions can be quantitatively explained on the basis of the variations of K(sp).

  1. The Activation Mechanism of Bi3+ Ions to Rutile Flotation in a Strong Acidic Environment

    Directory of Open Access Journals (Sweden)

    Wei Xiao

    2017-07-01

    Full Text Available Lead hydroxyl compounds are known as rutile flotation of the traditional activated component, but the optimum pH range for flotation is 2–3 using styryl phosphoric acid (SPA as collector, without lead hydroxyl compounds in slurry solution. In this study, Bi3+ ions as a novel activator was investigated. The results revealed that the presence of Bi3+ ions increased the surface potential, due to the specific adsorption of hydroxyl compounds, which greatly increases the adsorption capacity of SPA on the rutile surface. Bi3+ ions increased the activation sites through the form of hydroxyl species adsorbing on the rutile surface and occupying the steric position of the original Ca2+ ions. The proton substitution reaction occurred between the hydroxyl species of Bi3+ ions (Bi(OHn+(3−n and the hydroxylated rutile surface, producing the compounds of Ti-O-Bi2+. The micro-flotation tests results suggested that Bi3+ ions could improve the flotation recovery of rutile from 61% to 90%, and from 61% to 64% for Pb2+ ions.

  2. Mechanism of ion adsorption to aqueous interfaces: Graphene/water vs. air/water.

    Science.gov (United States)

    McCaffrey, Debra L; Nguyen, Son C; Cox, Stephen J; Weller, Horst; Alivisatos, A Paul; Geissler, Phillip L; Saykally, Richard J

    2017-12-19

    The adsorption of ions to aqueous interfaces is a phenomenon that profoundly influences vital processes in many areas of science, including biology, atmospheric chemistry, electrical energy storage, and water process engineering. Although classical electrostatics theory predicts that ions are repelled from water/hydrophobe (e.g., air/water) interfaces, both computer simulations and experiments have shown that chaotropic ions actually exhibit enhanced concentrations at the air/water interface. Although mechanistic pictures have been developed to explain this counterintuitive observation, their general applicability, particularly in the presence of material substrates, remains unclear. Here we investigate ion adsorption to the model interface formed by water and graphene. Deep UV second harmonic generation measurements of the SCN - ion, a prototypical chaotrope, determined a free energy of adsorption within error of that for air/water. Unlike for the air/water interface, wherein repartitioning of the solvent energy drives ion adsorption, our computer simulations reveal that direct ion/graphene interactions dominate the favorable enthalpy change. Moreover, the graphene sheets dampen capillary waves such that rotational anisotropy of the solute, if present, is the dominant entropy contribution, in contrast to the air/water interface.

  3. Effects of sintering additives on the microstructural and mechanical properties of the ion-irradiated SiCf/SiC

    Science.gov (United States)

    Fitriani, Pipit; Sharma, Amit Siddharth; Yoon, Dang-Hyok

    2018-05-01

    SiCf/SiC composites containing three different types of sintering additives viz. Sc-nitrate, Al2O3-Sc2O3, and Al2O3-Y2O3, were subjected to ion irradiation using 0.2 MeV H+ ions with a fluence of 3 × 1020 ions/m2 at room temperature. Although all composites showed volumetric swelling upon ion irradiation, SiCf/SiC with Sc-nitrate showed the smallest change followed by those with the Al2O3-Sc2O3 and Al2O3-Y2O3 additives. In particular, SiCf/SiC containing the conventional Al2O3-Y2O3 additive revealed significant microstructural changes, such as surface roughening and the formation of cracks and voids, resulting in reduced fiber pullout upon irradiation. On the other hand, the SiCf/SiC with Sc-nitrate showed the highest resistance against ion irradiation without showing any macroscopic changes in surface morphology and mechanical strength, indicating the importance of the sintering additive in NITE-based SiCf/SiC for nuclear structural applications.

  4. New aspects of cellular thallium uptake: Tl+-Na+-2Cl--cotransport is the central mechanism of ion uptake

    International Nuclear Information System (INIS)

    Sessler, M.J.; Maul, F.D.; Hoer, G.; Munz, D.L.; Geck, P.

    1986-01-01

    Cellular uptake mechanisms of 201 Tl + were studied in Ehrlich mouse ascites tumor cells. 201 Tl + phases the cell membrane of tumor cells using three transport systems: the ATPase, the Tl + -Na + -2Cl - -cotransport, and the Ca ++ -dependent ion channel. In the case of 201 Tl + the main route for entering the cells was the cotransport, its importance increasing with the age of the cells; in parallel, the ATPase activity was reduced. In contrast, the transport capacities of the ATPase and the cotransport were of the same magnitude in the case of 42 K + and 86 Rb + . This change in ion distribution was not brought about by varying velocity relations but by changing the number of transport systems in the cell membrane. There was no relationship between transport rates and diameters of the ions. 201 Tl + distribution is proportional to that of K + with a higher intracellular concentration of about 30%. Under physiological conditions the cotransport was reversible suggesting the ability to regulate steady state during varying extracellular ion concentrations. Cells and medium were two compartments, kinetically seen. Due to the significant difference of transport capacities between the three systems with the respective ions the term ''potassium-thallium-analogy'' may be misleading as it erroneously assumes identical uptake conditions. (orig.) [de

  5. Mechanical properties of MeV ion-irradiated SiC/SiC composites characterized by indentation technique

    International Nuclear Information System (INIS)

    Park, J.Y.; Park, K.H.; Kim, W.; Kishimoto, H.; Kohyama, A.

    2007-01-01

    Full text of publication follows: SiC/SiC composites have been considered as a structural material for advanced fusion concepts. In the core of fusion reactor, those SiC/SiC composites are experienced the complex attacks such as strong neutron, high temperature and transmuted gases. One of the vital data for designing the SiC/SiC composites to the fusion reactor is mechanical properties under the severe neutron irradiation. In this work, various SiC/SiC composites were prepared by the different fabrication processes like CVI (chemical vapor infiltration), WA-CVI (SiC whisker assisted CVI) and hot-pressed method. The expected neutron irradiation was simulated by a silicon self-ion irradiation at a DuET facility; Dual-beam for Energy Technologies, Kyoto University. The irradiation temperature were 600 deg. C and 1200 deg. C, and the irradiation does were 5 dpa and 20 dpa, respectively. The 5.1 MeV Si ions were irradiated to the intrinsic CVI-SiC, SiC whisker reinforced SiC and SiC composites produced by hot-press method. The mechanical properties like hardness, elastic modulus and fracture toughness were characterized by an indentation technique. The ion irradiation caused the increase of the hardness and fracture toughness, which was dependent on the irradiation temperature. SiC whisker reinforcement in the SiC matrix accelerated the increase of the fracture toughness by the ion irradiation. For SiC/SiC composites after the ion irradiation, this work will provide the additional data for the mechanical properties as well as the effect of SiC whisker reinforcement. (authors)

  6. Polarization mechanism for Bremsstrahlung and radiative recombination in a plasma with heavy ions

    International Nuclear Information System (INIS)

    Astapenko, V.A.; Bureeva, L.A.; Lisitsa, V.S.

    2002-01-01

    Contribution of polarization channel into radiation and recombination of electrons in plasma with heavy ions is investigated. Cases of hot plasma with temperature T e = 0.5 keV and Fe, Mo, W, U ions and relatively cold plasma with temperature 0.1-10 eV are considered. Calculations of spectral characteristics, full cross sections and recombination rates in plasma are made, bearing in mind its real ionization equilibrium. The calculations are made on the basis of quasiclassical approximation for electron scattering and statistical model of ions. It is shown that contribution of polarization channel is essential both for effective radiation and full rate of radiative recombination [ru

  7. Relevance of quantum mechanics on some aspects of ion channel function

    OpenAIRE

    Roy, Sisir; Llinás, Rodolfo

    2009-01-01

    Mathematical modeling of ionic diffusion along K ion channels indicates that such diffusion is oscillatory, at the weak non-Markovian limit. This finding leads us to derive a Schrödinger–Langevin equation for this kind of system within the framework of stochastic quantization. The Planck’s constant is shown to be relevant to the Lagrangian action at the level of a single ion channel. This sheds new light on the issue of applicability of quantum formalism to ion channel dynamics and to the phy...

  8. Electrochemical-mechanical coupled modeling and parameterization of swelling and ionic transport in lithium-ion batteries

    Science.gov (United States)

    Sauerteig, Daniel; Hanselmann, Nina; Arzberger, Arno; Reinshagen, Holger; Ivanov, Svetlozar; Bund, Andreas

    2018-02-01

    The intercalation and aging induced volume changes of lithium-ion battery electrodes lead to significant mechanical pressure or volume changes on cell and module level. As the correlation between electrochemical and mechanical performance of lithium ion batteries at nano and macro scale requires a comprehensive and multidisciplinary approach, physical modeling accounting for chemical and mechanical phenomena during operation is very useful for the battery design. Since the introduced fully-coupled physical model requires proper parameterization, this work also focuses on identifying appropriate mathematical representation of compressibility as well as the ionic transport in the porous electrodes and the separator. The ionic transport is characterized by electrochemical impedance spectroscopy (EIS) using symmetric pouch cells comprising LiNi1/3Mn1/3Co1/3O2 (NMC) cathode, graphite anode and polyethylene separator. The EIS measurements are carried out at various mechanical loads. The observed decrease of the ionic conductivity reveals a significant transport limitation at high pressures. The experimentally obtained data are applied as input to the electrochemical-mechanical model of a prismatic 10 Ah cell. Our computational approach accounts intercalation induced electrode expansion, stress generation caused by mechanical boundaries, compression of the electrodes and the separator, outer expansion of the cell and finally the influence of the ionic transport within the electrolyte.

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

    Directory of Open Access Journals (Sweden)

    Xin Li

    2018-01-01

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

  10. On kinetics and mechanism of' furfural oxidation by ions of heterovalent metals

    International Nuclear Information System (INIS)

    Krupenskij, V.I.

    1983-01-01

    Real constants of rate of furfural oxidation by Cu 2+ , Fe 3+ , Ce 4+ , Ag + , Hg 2+ 2 ions are determined, other kinetic and activation parameters of reactions are calculated, constants of stability and other thermodynamic characteristics of furfural complex with cations-oxidizers are found. Schemes of furfural transformations at one- and two-electron oxidation by ions of variable-valency metals are suggested

  11. Kinetics and mechanism of furfural oxidation by ions of heterovalent metals

    Energy Technology Data Exchange (ETDEWEB)

    Krupenskij, V.I. (Ukhtinskij Industrial' nyj Inst. (USSR))

    1983-01-01

    Real constants of rate of furfural oxidation by Cu/sup 2 +/, Fe/sup 3 +/, Ce/sup 4 +/, Ag/sup +/, Hg/sup 2 +//sub 2/ ions are determined, other kinetic and activation parameters of reactions are calculated, constants of stability and other thermodynamic characteristics of furfural complex with cations-oxidizers are found. Schemes of furfural transformations at one- and two-electron oxidation by ions of variable-valency metals are suggested.

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

    International Nuclear Information System (INIS)

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

    1981-01-01

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

  13. The electrochemical performance and mechanism of cobalt (II) fluoride as anode material for lithium and sodium ion batteries

    International Nuclear Information System (INIS)

    Tan, Jinli; Liu, Li; Guo, Shengping; Hu, Hai; Yan, Zichao; Zhou, Qian; Huang, Zhifeng; Shu, Hongbo; Yang, Xiukang; Wang, Xianyou

    2015-01-01

    Highlights: •The as-prepared CoF 2 shows excellent electrochemical performance as anode material for lithium ion batteries. •The Li insertion/extraction mechanism of CoF 2 below 1.2 V was firstly proposed. •The electrochemical performance of CoF 2 as anode material in sodium ion batteries was firstly studied. -- Abstract: Cobalt (II) fluoride begins to enter into the horizons of people along with the research upsurge of metal fluorides. It is very significative and theoretically influential to make certain its electrochemical reaction mechanism. In this work, we discover a new and unrevealed reversible interfacial intercalation mechanism reacting below 1.2 V for cobalt (II) fluoride electrode material, which contributes a combined discharge capacity of about 400 mA h g −1 with the formation of SEI film at the initial discharge process. A highly reversible storage capacity of 120 mA h g −1 is observed when the cell is cycled over the voltage of 0.01-1.2 V at 0.2 C, and the low-potential voltage reaction process has a significant impact for the whole electrochemical process. Electrochemical analyses suggest that pure cobalt (II) fluoride shows better electrochemical performance when it is cycled at 3.2-0.01 V compared to the high range (1.0-4.5 V). So, we hold that cobalt (II) fluoride is more suitable to serve as anode material for lithium ion batteries. In addition, we also try to reveal the relevant performance and reaction mechanism, and realize the possibility of cobalt (II) fluoride as anode material for sodium ion batteries

  14. Combined quantum-mechanics/molecular-mechanics dynamics simulation of A-DNA double strands irradiated by ultra-low-energy carbon ions

    Energy Technology Data Exchange (ETDEWEB)

    Ngaojampa, C.; Nimmanpipug, P. [Computer Simulation and Modeling Laboratory (CSML), Department of Chemistry and Center for Innovation Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Yu, L.D., E-mail: yuld@fnrf.science.cmu.ac.t [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand); Anuntalabhochai, S. [Molecular Biology Laboratory, Department of Biology, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Lee, V.S., E-mail: vannajan@gmail.co [Computer Simulation and Modeling Laboratory (CSML), Department of Chemistry and Center for Innovation Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand)

    2011-02-15

    In order to promote understanding of the fundamentals of ultra-low-energy ion interaction with DNA, molecular dynamics simulations using combined quantum-mechanics/molecular-mechanics of poly-AT and poly-GC A-DNA double strands irradiated by <200 eV carbon ions were performed to investigate the molecular implications of mutation bias. The simulations were focused on the responses of the DNA backbones and nitrogenous bases to irradiation. Analyses of the root mean square displacements of the backbones and non-hydrogen atoms of base rings of the simulated DNA structure after irradiation revealed a potential preference of DNA double strand separation, dependent on the irradiating energy. The results show that for the backbones, the large difference in the displacement between poly-GC and poly-AT in the initial time period could be the reason for the backbone breakage; for the nitrogenous base pairs, A-T is 30% more sensitive or vulnerable to ion irradiation than G-C, demonstrating a preferential, instead of random, effect of irradiation-induced mutation.

  15. Combined quantum-mechanics/molecular-mechanics dynamics simulation of A-DNA double strands irradiated by ultra-low-energy carbon ions

    International Nuclear Information System (INIS)

    Ngaojampa, C.; Nimmanpipug, P.; Yu, L.D.; Anuntalabhochai, S.; Lee, V.S.

    2011-01-01

    In order to promote understanding of the fundamentals of ultra-low-energy ion interaction with DNA, molecular dynamics simulations using combined quantum-mechanics/molecular-mechanics of poly-AT and poly-GC A-DNA double strands irradiated by <200 eV carbon ions were performed to investigate the molecular implications of mutation bias. The simulations were focused on the responses of the DNA backbones and nitrogenous bases to irradiation. Analyses of the root mean square displacements of the backbones and non-hydrogen atoms of base rings of the simulated DNA structure after irradiation revealed a potential preference of DNA double strand separation, dependent on the irradiating energy. The results show that for the backbones, the large difference in the displacement between poly-GC and poly-AT in the initial time period could be the reason for the backbone breakage; for the nitrogenous base pairs, A-T is 30% more sensitive or vulnerable to ion irradiation than G-C, demonstrating a preferential, instead of random, effect of irradiation-induced mutation.

  16. Investigation of mechanism of anode plasma formation in ion diode with dielectric anode

    International Nuclear Information System (INIS)

    Pushkarev, A.

    2015-01-01

    The results of investigation of the anode plasma formation in a diode with a passive anode in magnetic insulation mode are presented. The experiments have been conducted using the BIPPAB-450 ion accelerator (350–400 kV, 6–8 kA, 80 ns) with a focusing conical diode with B r external magnetic field (a barrel diode). For analysis of plasma formation at the anode and the distribution of the ions beam energy density, infrared imaging diagnostics (spatial resolution of 1–2 mm) is used. For analysis of the ion beam composition, time-of-flight diagnostics (temporal resolution of 1 ns) were used. Our studies have shown that when the magnetic induction in the A-C gap is much larger than the critical value, the ion beam energy density is close to the one-dimensional Child-Langmuir limit on the entire working surface of the diode. Formation of anode plasma takes place only by the flashover of the dielectric anode surface. In this mode, the ion beam consists primarily of singly ionized carbon ions, and the delay of the start of formation of the anode plasma is 10–15 ns. By reducing the magnetic induction in the A-C gap to a value close to the critical one, the ion beam energy density is 3–6 times higher than that calculated by the one-dimensional Child-Langmuir limit, but the energy density of the ion beam is non-uniform in cross-section. In this mode, the anode plasma formation occurs due to ionization of the anode material with accelerated electrons. In this mode, also, the delay in the start of the formation of the anode plasma is much smaller and the degree of ionization of carbon ions is higher. In all modes occurred effective suppression of the electronic component of the total current, and the diode impedance was 20–30 times higher than the values calculated for the mode without magnetic insulation of the electrons. The divergence of the ion beam was 4.5°–6°

  17. Coupling of Mechanical Behavior of Lithium Ion Cells to Electrochemical-Thermal (ECT) Models for Battery Crush

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chao; Santhanagopalan, Shriram; Pesaran, Ahmad; Sahraei, Elham; Wierzbicki, Tom

    2016-06-14

    Vehicle crashes can lead to crushing of the battery, damaging lithium ion battery cells and causing local shorts, heat generation, and thermal runaway. Simulating all the physics and geometries at the same time is challenging and takes a lot of effort; thus, simplifications are needed. We developed a material model for simultaneously modeling the mechanical-electrochemical-thermal behavior, which predicted the electrical short, voltage drop, and thermal runaway behaviors followed by a mechanical abuse-induced short. The effect of short resistance on the battery cell performance was studied.

  18. Description of two-metal biosorption equilibria by Langmuir-type models.

    Science.gov (United States)

    Chong, K H; Volesky, B

    1995-08-20

    A biosorbent prepared from Ascophyllum nodosum seaweed biomass, FCAN2, was examined for its sorption capacity. Equilibrium batch sorption studies were performed using two-matal systems containing either (Cu + Zn), (Cu + Cd), or (Zn + Cd). In the evaluation of the two-metal sorption system performance, simple isotherm curves had to be replaced by three-dimensional sorption isotherm surfaces. In order to describe the isotherm surfaces mathematically, three Langmuir-type models were evaluated. The apparent one-parameter Langmuir constant (b) was used to quantify FCAN2 "affinity" for one metal in the presence of another one. The uptake of Zn decreased drastically when Cu or Cd were present. The uptake of Cd wasmuch more sensitive to the presence of Cu than to that of Zn. The presence of Cd and Zn alter the "affinity" of FCAN2 for Cu the least at high Cu equilibrium concentrations. The mathematical model of the two-metal sorption system enabled quantitative estimation of one-metal (bio)sorption inhibition due to the influence of a second metal. (c) 1995 John Wiley & Sons Inc.

  19. Effect of iron(III) ion on moso bamboo pyrolysis under microwave irradiation.

    Science.gov (United States)

    Dong, Qing; Li, Xiangqian; Wang, Zhaoyu; Bi, Yanhong; Yang, Rongling; Zhang, Jinfeng; Luo, Hongzhen; Niu, Miaomiao; Qi, Bo; Lu, Chen

    2017-11-01

    The effect of iron(III) ion on microwave pyrolysis of moso bamboo was investigated. Hydrofluoric acid washing was used as a pilot process to demineralize moso bamboo in order to eliminate the influences of the other inorganics contained in moso bamboo itself. The results indicated that the addition of iron(III) ion increased the maximal reaction temperatures under microwave condition dependent on the amount of the added iron(III) ion. The production of the non-condensable gases was promoted by the addition of iron(III) ion mainly at the expense of liquid products. Iron(III) ion exhibited the positive effect for syngas production and inhibited the formation of CO 2 and CH 4 . The formation of Fe 2 O 3 and Fe 3 O 4 was found during microwave pyrolysis and the mechanism of the two metallic oxides formation was described in this work. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. Swelling behavior of ion exchange resins incorporated in tri-calcium silicate cement matrix: II. Mechanical analysis

    International Nuclear Information System (INIS)

    Neji, M.; Bary, B.; Le Bescop, P.; Burlion, N.

    2015-01-01

    This paper presents the second part of a study aiming at modelling the mechanical behavior of composites made up of ion exchange resins (IER) solidified in a tri-calcium silicate cement paste (C_3S). Such composites may be subjected to internal pressures due to ion exchange processes between ionic species which are in IER and interstitial solution of the cement paste. The reactive transport model developed in the companion paper is coupled in this study to a multi-scale approach describing the mechanical behavior of the material. It is based on an analogy with thermomechanics for taking in account the IER internal pressures, and on Eshelby-based homogenization techniques to estimate both mechanical and coupling parameters. A laboratory test has been set up to measure the macroscopic strain caused by the swelling phenomenon. The model has been finally implemented in a finite elements software. The simulation of the laboratory tests has been performed and the results have been analyzed and compared to experimental data. - Highlights: • Experimental analysis about mechanical behavior of a composite material. • Chemo-Mechanical-Transport modeling on a composite material made up with IER embedded into cement paste matrix. • Multi-scale modeling.

  1. Hydroxy double salts loaded with bioactive ions: Synthesis, intercalation mechanisms, and functional performance

    Energy Technology Data Exchange (ETDEWEB)

    Kaassis, Abdessamad Y.A. [UCL School of Pharmacy, University College London, 29-39 Brunswick Square, London WC1N 1AX (United Kingdom); Xu, Si-Min; Guan, Shanyue; Evans, David G. [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Wei, Min, E-mail: weimin@mail.buct.edu.cn [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Williams, Gareth R., E-mail: g.williams@ucl.ac.uk [UCL School of Pharmacy, University College London, 29-39 Brunswick Square, London WC1N 1AX (United Kingdom)

    2016-06-15

    The intercalation of the anions of diclofenac (Dic), naproxen (Nap), and valproic acid (Val) into three hydroxy double salts (HDSs) has been explored in this work. Experiments were performed with [Co{sub 1.2}Zn{sub 3.8}(OH){sub 8}](NO{sub 3}){sub 2}·2H{sub 2}O (CoZn-NO{sub 3}), [Ni{sub 2}Zn{sub 3}(OH){sub 8}](NO{sub 3}){sub 2}·2H{sub 2}O (NiZn-NO{sub 3}) and [Zn{sub 5}(OH){sub 8}](NO{sub 3}){sub 2}·2H{sub 2}O (Zn-NO{sub 3}). It proved possible to intercalate diclofenac and naproxen into all three HDSs. In contrast, Val could be intercalated into CoZn-NO{sub 3} but when it was reacted with Zn-NO{sub 3} the HDS structure was destroyed, and the product comprised ZnO. Successful intercalation was verified by X-ray diffraction, IR spectroscopy, and elemental microanalysis. Molecular dynamics simulations showed the Dic and Nap ions to arrange themselves in an “X” shape in the interlayer space, forming a bilayer. Val was found to adopt a position with its aliphatic groups parallel to the HDS layer, again in a bilayer. In situ time resolved X-ray diffraction experiments revealed that intercalation of Dic and Nap into CoZn-NO{sub 3} and Zn-NO{sub 3} is mechanistically complex, with a number of intermediate phases observed. In contrast, the intercalation of all three guests into NiZn-NO{sub 3} and of Val into CoZn-NO{sub 3} are simple one step reactions proceeding directly from the starting material to the product. The HDS-drug composites were found to have sustained release profiles. - Graphical abstract: Seven new drug intercalates of hydroxy double salts (HDSs) have been prepared and characterised. The intercalation mechanisms have been explored, and the drug release properties of the HDS/drug composites quantified. Display Omitted.

  2. A chemo-mechanical model coupled with thermal effect on the hollow core–shell electrodes in lithium-ion batteries

    Directory of Open Access Journals (Sweden)

    Bin Hu

    2017-07-01

    Full Text Available Electrode is a key component to remain durability and safety of lithium-ion (Li-ion batteries. Li-ion insertion/removal and thermal expansion mismatch may induce high stress in electrode during charging and discharging processes. In this paper, we present a continuum model based on COMSOL Multiphysics software, which involves thermal, chemical and mechanical behaviors of electrodes. The results show that, because of diffusion-induced stress and thermal mismatch, the electrode geometry plays an important role in diffusion kinetics of Li-ions. A higher local compressive stress results in a lower Li-ion concentration and thus a lower capacity when a particle is embedded another, which is in agreement with experimental observations. Keywords: Lithium-ion battery, Diffusion-induced stress, COMSOL, Chemo-mechanical, Electrode

  3. Effects of ion irradiation on the mechanical properties of several polymers

    International Nuclear Information System (INIS)

    Sasuga, Tsuneo; Kawanishi, Shunichi; Nishi, Masanobu; Seguchi, Tadao

    1991-01-01

    The effects of high-energy ion irradiation on the tensile properties of polymers were studied under conditions in which ions should pass completely through the specimen and the results were compared with 2 MeV electron irradiation effects. Experiments were carried out on polymers having various constituents and molecular structures, i.e. eight aliphatic polymers and four aromatic polymers. In the aliphatic polymers studied there was scarcely any difference in the dose dependence of the tensile strength and ultimate elongation between proton and electron irradiation. In the aromatic polymers, however, the decrements in the tensile strength and ultimate elongation vs proton dose were less than those for electron irradiation. In heavy-ion irradiation, the radiation damage of PE (an aliphatic polymer) decreased with increase of LET, but no obvious LET effects were observed in PES (an aromatic polymer). (author)

  4. Capture from pair production as a beam loss mechanism for heavy ions at RHIC

    International Nuclear Information System (INIS)

    Feinberg, B.; Belkacem, A.; Claytor, N.; Dinneen, T.; Gould, H.

    1997-05-01

    Electron capture from electron-positron pair production is predicted to be a major source of beam loss for the heaviest ions at RHIC. Achieving the highest luminosity thus requires an understanding of the capture process. The authors report measurements of this process at Brookhaven National Laboratory's AGS using 10.8 GeV/nucleon Au 79+ projectiles on Au targets. Capture from pair production is a process in which the very high electromagnetic field involved in the collision of two relativistic heavy ions results in the production of an electron-positron pair with the capture of the electron by one of the ions. There are many theoretical papers published on capture from pair production with discrepancies between predicted cross sections. The experimental results are compared to theory and to previous experiments at 1 GeV/nucleon. The implications of extrapolations to RHIC energies are presented

  5. Tin anode for sodium-ion batteries using natural wood fiber as a mechanical buffer and electrolyte reservoir.

    Science.gov (United States)

    Zhu, Hongli; Jia, Zheng; Chen, Yuchen; Weadock, Nicholas; Wan, Jiayu; Vaaland, Oeyvind; Han, Xiaogang; Li, Teng; Hu, Liangbing

    2013-07-10

    Sodium (Na)-ion batteries offer an attractive option for low cost grid scale storage due to the abundance of Na. Tin (Sn) is touted as a high capacity anode for Na-ion batteries with a high theoretical capacity of 847 mAh/g, but it has several limitations such as large volume expansion with cycling, slow kinetics, and unstable solid electrolyte interphase (SEI) formation. In this article, we demonstrate that an anode consisting of a Sn thin film deposited on a hierarchical wood fiber substrate simultaneously addresses all the challenges associated with Sn anodes. The soft nature of wood fibers effectively releases the mechanical stresses associated with the sodiation process, and the mesoporous structure functions as an electrolyte reservoir that allows for ion transport through the outer and inner surface of the fiber. These properties are confirmed experimentally and computationally. A stable cycling performance of 400 cycles with an initial capacity of 339 mAh/g is demonstrated; a significant improvement over other reported Sn nanostructures. The soft and mesoporous wood fiber substrate can be utilized as a new platform for low cost Na-ion batteries.

  6. Corrosion Inhibiting Mechanism of Nitrite Ion on the Passivation of Carbon Steel and Ductile Cast Iron for Nuclear Power Plants

    Directory of Open Access Journals (Sweden)

    K. T. Kim

    2015-01-01

    Full Text Available While NaNO2 addition can greatly inhibit the corrosion of carbon steel and ductile cast iron, in order to improve the similar corrosion resistance, ca. 100 times more NaNO2 addition is needed for ductile cast iron compared to carbon steel. A corrosion and inhibition mechanism is proposed whereby NO2- ion is added to oxidize. The NO2- ion can be reduced to nitrogen compounds and these compounds may be absorbed on the surface of graphite. Therefore, since nitrite ion needs to oxidize the surface of matrix and needs to passivate the galvanic corroded area and since it is absorbed on the surface of graphite, a greater amount of corrosion inhibitor needs to be added to ductile cast iron compared to carbon steel. The passive film of carbon steel and ductile cast iron, formed by NaNO2 addition showed N-type semiconductive properties and its resistance, is increased; the passive current density is thus decreased and the corrosion rate is then lowered. In addition, the film is mainly composed of iron oxide due to the oxidation by NO2- ion; however, regardless of the alloys, nitrogen compounds (not nitrite were detected at the outermost surface but were not incorporated in the inner oxide.

  7. The diffusion mechanism of alkali metal ions in the particles of cerium(IV)antimonate

    International Nuclear Information System (INIS)

    El-Naggar, I.M.; Zakaria, E.S.; Abd El-Wahab, M.A.; Belacy, N.; Aly, H.F.

    1996-01-01

    The kinetic behaviour of Li + , Na + , K + and Cs + ions exchange on cerium(IV)antimonate were investigated under conditions of particle diffusion and the limited batch technique. Values for the diffusion coefficients, activation energy and entropy of activation were calculated and their significance were discussed. The values of the effective diffusion coefficient increased in the order Cs + K + Na + Li + , which parallels the ionic radii and the ionic mobility. The activation energy (E a ) was found to decrease with decreases in the entropy change of the system. The data obtained for this exchanger were compared with those for organic resins and other inorganic ion exchangers

  8. The main mechanisms of flotation extraction of heavy metal ions out of water solutions

    International Nuclear Information System (INIS)

    Zubareva, G.I.

    2002-01-01

    Flotation extraction of heavy metal ions out of water solutions using reagent EMKO (sodium soaps of vat residues of C grade) is presented. It is established that it is related to hydration energy and stability of sublates being formed. These two parameters affect contrariwise. A difference of molar ratios [EMKO]:[Me] in the course of extracting metals into froth can be explained by their different aggregative state, and a proportion of ionic form of metals and hydroxides being formed. Metal flotation rate is different for each of metal cations to be floated and is dependant on hydrogen ion concentrations [ru

  9. Hardness enhancement and crosslinking mechanisms in polystyrene irradiated with high energy ion-beams

    International Nuclear Information System (INIS)

    Lee, E.H.; Rao, G.R.; Mansur, L.K.

    1996-01-01

    Surface hardness values several times larger than steel were produced using high energy ion beams at several hundred keV to MeV. High LET is important for crosslinking. Crosslinking is studied by analyzing hardness variations in response to irradiation parameter such as ion species, energy, and fluence. Effective crosslinking radii at hardness saturation are derived base on experimental data for 350 keV H + and 1 MeV Ar + irradiation of polystyrene. Saturation value for surface hardness is about 20 GPa

  10. Fast self-diffusion of ions in CH 3 NH 3 PbI 3 : the interstiticaly mechanism versus vacancy-assisted mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang; Wei, Su-Huai

    2016-01-01

    The stability of organic-inorganic halide perovskites is a major challenge for their applications and has been extensively studied. Among the possible underlying reasons, ion self-diffusion has been inferred to play important roles. While theoretical studies congruously support that iodine is more mobile, experimental studies only observe the direct diffusion of the MA ion and possible diffusion of iodine. The discrepancy may result from the incomplete understanding of ion diffusion mechanisms. With the help of first-principles calculations, we studied ion diffusion in CH3NH3PbI3 (MAPbI3) through not only the vacancy-assisted mechanisms presumed in previous theoretical studies, but also the neglected interstiticaly mechanisms. We found that compared to the diffusion through the vacancy-assisted mechanism, MA ion diffusion through the interstiticaly mechanism has a much smaller barrier which could explain experimental observations. For iodine diffusion, both mechanisms can yield relatively small barriers. Depending on the growth conditions, defect densities of vacancies and interstitials can vary and so do the diffusion species as well as diffusion mechanisms. Our work thus supports that both MA and iodine ion diffusion could contribute to the performance instability of MAPbI3. While being congruous with experimental results, our work fills the research gap by providing a full understanding of ion diffusion in halide perovskites.

  11. Effects of cesium ion-implantation on mechanical and electrical properties of organosilicate low-k films

    Energy Technology Data Exchange (ETDEWEB)

    Li, W.; Pei, D.; Guo, X.; Cheng, M. K.; Lee, S.; Shohet, J. L. [Plasma Processing and Technology Laboratory, Department of Electrical and Computer Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Lin, Q. [IBM T.J. Watson Research Center, Yorktown Heights, New York 10598 (United States); King, S. W. [Intel Corporation, Hillsboro, Oregon 97124 (United States)

    2016-05-16

    The effects of cesium (Cs) ion-implantation on uncured plasma-enhanced chemical-vapor-deposited organosilicate low dielectric constant (low-k) (SiCOH) films have been investigated and compared with an ultraviolet (UV) cured film. The mechanical properties, including the elastic modulus and hardness, of the SiCOH low-k films are improved by up to 30% with Cs implantation, and further up to 52% after annealing at 400 °C in a N{sub 2} ambient for 1 h. These improvements are either comparable to or better than the effects of UV-curing. They are attributed to an enhancement of the Si-O-Si network structure. The k-value of the SiCOH films increased slightly after Cs implantation, and increased further after annealing. These increases are attributed to two carbon-loss mechanisms, i.e., the carbon loss due to Si-CH{sub 3} bond breakage from implanted Cs ions, and the carbon loss due to oxidation during the annealing. The time-zero dielectric breakdown strength was improved after the Cs implantation and the annealing, and was better than the UV-cured sample. These results indicate that Cs ion implantation could be a supplement to or a substitution for the currently used UV curing method for processing SiCOH low-k films.

  12. Role of material properties and mechanical constraint on stress-assisted diffusion in plate electrodes of lithium ion batteries

    International Nuclear Information System (INIS)

    Song Yicheng; Zhang Junqian; Shao Xianjun; Guo Zhansheng

    2013-01-01

    This work investigates the stress-assisted diffusion of lithium ions in layered electrodes of Li-ion batteries. Decoupled diffusion governing equations are obtained. Material properties, which are characterized by a single dimensionless parameter, and mechanical constraint between a current collector and an active layer, which is characterized by the elastic modulus ratio and thickness ratio between the layers, are identified as key factors that govern the stress-assisted diffusion. For a symmetric plate electrode, stress is induced by the Li-ion concentration gradient, and stress-assisted diffusion therefore depends only on the material properties. For an asymmetric bilayer electrode, mechanical constraint plays a very important role in the diffusion via generation of bending stress. Diffusion may be facilitated, or inversely impeded, according to the constraint. By summarizing the coupling factors of common active materials and investigating the concentration variation induced by stress-assisted diffusion in various electrodes, this work provides insights on stress-assisted diffusion in a layered electrode, as well as suggestions for relevant modelling works on whether the stress-assisted diffusion should be taken into account according to the selection of material and structure. (paper)

  13. Study of the mechanism and kinetics of the reduction of uranyl ions in phosphoric acid solutions

    International Nuclear Information System (INIS)

    El Kacemi, K.; Tyburce, B.; Belcadi, S.

    1982-01-01

    The electrochemical reduction of uranyl ions in 0.1 to 9 M phosphoric acid has been investigated by polarography, cyclic voltammetry, chronopotentiometry and potentiostatic coulometry. In concentrated phosphoric acid solutions (H 3 PO 4 3 PO 4 concentrations. So, when the concentration of U(VI) increases and/or that of H 3 PO 4 reduces, the system becomes reversible. (author)

  14. The effect and mechanism of chloride ion attack on portland cement ...

    African Journals Online (AJOL)

    At low concentrations, chloride ion has little or no effect on the physical stability of concrete structure but it causes the corrosion of the reinforcing steel in the concrete but at high concentration' especially at low temperature, it causes expansion and cracking in the concrete. The degradation is usually accompanied by ...

  15. Structures and Fragmentation Mechanisms of the Ions of Ethanol by Triple Quadrupole Mass Spectrometry.

    Science.gov (United States)

    1982-07-15

    structural information contained in deuterated sp ies is readily obtainable. Eth 1 ions ty stdied tnc) Vde (CH3CHOH?’., [CH CHOHJ. (CH2COH]r-% [CH 2COF...high and low energy systems involves electronic 18 and vibrational 19 excitation respectively, the amount of energy thus deposited must be approximately

  16. Controlling the transport of an ion: classical and quantum mechanical solutions

    International Nuclear Information System (INIS)

    Fürst, H A; Poschinger, U G; Schmidt-Kaler, F; Singer, K; Goerz, M H; Koch, C P; Murphy, M; Montangero, S; Calarco, T

    2014-01-01

    The accurate transport of an ion over macroscopic distances represents a challenging control problem due to the different length and time scales that enter and the experimental limitations on the controls that need to be accounted for. Here, we investigate the performance of different control techniques for ion transport in state-of-the-art segmented miniaturized ion traps. We employ numerical optimization of classical trajectories and quantum wavepacket propagation as well as analytical solutions derived from invariant based inverse engineering and geometric optimal control. The applicability of each of the control methods depends on the length and time scales of the transport. Our comprehensive set of tools allows us make a number of observations. We find that accurate shuttling can be performed with operation times below the trap oscillation period. The maximum speed is limited by the maximum acceleration that can be exerted on the ion. When using controls obtained from classical dynamics for wavepacket propagation, wavepacket squeezing is the only quantum effect that comes into play for a large range of trapping parameters. We show that this can be corrected by a compensating force derived from invariant based inverse engineering, without a significant increase in the operation time. (paper)

  17. Kinetics and mechanism of the oxidation of thiocyanate ion by di-m ...

    African Journals Online (AJOL)

    phenanthroline)dimanganese(III,IV) perchlorate in acid medium has been investigated. The reaction follows first order in both the oxidant and the reductant. The reaction is catalysed by hydrogen ion and the rate dependence given as k2 = a + b[H+].

  18. Development of an SU-8 MEMS process with two metal electrodes using amorphous silicon as a sacrificial material

    KAUST Repository

    Ramadan, Khaled S.

    2013-02-08

    This work presents an SU-8 surface micromachining process using amorphous silicon as a sacrificial material, which also incorporates two metal layers for electrical excitation. SU-8 is a photo-patternable polymer that is used as a structural layer for MEMS and microfluidic applications due to its mechanical properties, biocompatibility and low cost. Amorphous silicon is used as a sacrificial layer in MEMS applications because it can be deposited in large thicknesses, and can be released in a dry method using XeF2, which alleviates release-based stiction problems related to MEMS applications. In this work, an SU-8 MEMS process was developed using ;-Si as a sacrificial layer. Two conductive metal electrodes were integrated in this process to allow out-of-plane electrostatic actuation for applications like MEMS switches and variable capacitors. In order to facilitate more flexibility for MEMS designers, the process can fabricate dimples that can be conductive or nonconductive. Additionally, this SU-8 process can fabricate SU-8 MEMS structures of a single layer of two different thicknesses. Process parameters were optimized for two sets of thicknesses: thin (5-10 m) and thick (130 m). The process was tested fabricating MEMS switches, capacitors and thermal actuators. © 2013 IOP Publishing Ltd.

  19. The energy spectrum of electromagnetic normal modes in dissipative media: modes between two metal half spaces

    International Nuclear Information System (INIS)

    Sernelius, Bo E

    2008-01-01

    The energy spectrum of electromagnetic normal modes plays a central role in the theory of the van der Waals and Casimir interaction. Here we study the modes in connection with the van der Waals interaction between two metal half spaces. Neglecting dissipation leads to distinct normal modes with real-valued frequencies. Including dissipation seems to have the effect that these distinct modes move away from the real axis into the complex frequency plane. The summation of the zero-point energies of these modes render a complex-valued result. Using the contour integration, resulting from the use of the generalized argument principle, gives a real-valued and different result. We resolve this contradiction and show that the spectrum of true normal modes forms a continuum with real frequencies

  20. Light-induced attractive force between two metal bodies separated by a subwavelength slit

    International Nuclear Information System (INIS)

    Nesterov, Vladimir; Frumin, Leonid

    2011-01-01

    A novel light-induced attractive force which acts as a force with negative light pressure has been revealed. The force arises by the interaction of plasmon polaritons which are excited at the surface of metal when a transverse magnetic mode propagates through a subwavelength slit between two metal bodies. The estimation of the repulsive force acting on the metal walls of the slit in the case of subwavelength TE mode propagation along the slit is presented. The explicit analytical expressions of light-induced forces between two macroscopic metal bodies or films separated by a subwavelength slit have been derived. These forces could be used to manipulate metallic macro-, micro- and nano-objects in vacuum or in a dielectric medium. Estimations of these light-induced forces show that the forces are sufficient for measurements and practical applications

  1. Characterization of Two Metal Binding Lipoproteins as Vaccine Candidates for Enterococcal Infections.

    Science.gov (United States)

    Romero-Saavedra, Felipe; Laverde, Diana; Budin-Verneuil, Aurélie; Muller, Cécile; Bernay, Benoit; Benachour, Abdellah; Hartke, Axel; Huebner, Johannes

    2015-01-01

    Enterococcus faecium and faecalis are Gram-positive opportunistic pathogens that have become leading causes of nosocomial infections over the last decades. Especially multidrug resistant enterococci have become a challenging clinical problem worldwide. Therefore, new treatment options are needed and the identification of alternative targets for vaccine development has emerged as a feasible alternative to fight the infections caused by these pathogens. We extrapolate the transcriptomic data from a mice peritonitis infection model in E. faecalis to identify putative up-regulated surface proteins under infection conditions in E. faecium. After the bionformatic analyses two metal binding lipoproteins were identified to have a high homology (>72%) between the two species, the manganese ABC transporter substrate-binding lipoprotein (PsaAfm,) and the zinc ABC transporter substrate-binding lipoprotein (AdcAfm). These candidate lipoproteins were overexpressed in Escherichia coli and purified. The recombinant proteins were used to produce rabbit polyclonal antibodies that were able to induce specific opsonic antibodies that mediated killing of the homologous strain E. faecium E155 as well as clinical strains E. faecium E1162, Enterococcus faecalis 12030, type 2 and type 5. Mice were passively immunized with the antibodies raised against recombinant lipoproteins, showing significant reduction of colony counts in mice livers after the bacterial challenge and demonstrating the efficacy of these metal binding lipoproteins as promising vaccine candidates to treat infections caused by these enterococcal pathogens. Overall, our results demonstrate that these two metal binding lipoproteins elicited specific, opsonic and protective antibodies, with an extensive cross-reactivity and serotype-independent coverage among these two important nocosomial pathogens. Pointing these two protein antigens as promising immunogens, that can be used as single components or as carrier proteins

  2. In-Situ Ion Source Cleaning: Review of Chemical Mechanisms and Evaluation Data at Production Fabs

    International Nuclear Information System (INIS)

    Kaim, R.; Bishop, S.; Byl, O.; Eldridge, D.; Marganski, P.; Mayer, J.; Sweeney, J.; Yedave, S.; Fuchs, D.; Spreitzer, S.; Vogel, J.; Dunn, J.; Lundquist, P.; Rolland, J.; Romig, T.; Newman, D.; Mitchell, M.; Ditzler, K.

    2008-01-01

    Since the concept of chemical in-situ ion implanter cleaning was introduced at IIT2006 [1], evaluations of the XeF 2 cleaning technology have taken place or are ongoing at more than 40 production fabs worldwide. Testing has been focused on assessing effects of cleaning in the source arc chamber and extraction regions. In this paper we describe use of the cleaning technology in a production environment and summarize evaluation data showing advantages of the technology for improving ion source life, reducing glitching, improving beam auto-tuning and avoiding species cross-contamination. More details of the evaluations are given in several separate papers submitted to this Conference. We have supplemented the fab production data with laboratory experiments designed to investigate the reactivity of XeF 2 and fundamental aspects of the source deposition and cleaning processes. These experiments are summarized here, and more details can be found in separate papers submitted to this Conference

  3. Mechanism of selective ion flotation. 1. Selective flotation of transition metal cations

    International Nuclear Information System (INIS)

    Walkowiak, W.

    1991-01-01

    An experimental investigation is presented of the batch ion flotation of the transition metal cations Cr 3+ , Fe 3+ , Mn 2+ , Co 2+ , Zn 2+ , Ag + , Cd 2+ , and In 3+ from acidic aqueous solutions with sodium dodecylsulfonate and sodium dodecylbenzenesulfonate as anionic surfactants. The selectivity sequences Mn 2+ 2+ 2+ 3+ 3+ and Ag + 2+ 3+ are established, both from data for single and multi-ion metal cations solutions, where sublate was not formed in the bulk solution. Good agreement between the selectivity sequences and the values of ionic potential of metal cations was found. An experimental investigation was also performed on the solubility of sublates. The sublates solubility values are discussed in terms of ionic potentials of metal cations as well as of the surfactant size

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  5. Ion Channel Genes and Epilepsy: Functional Alteration, Pathogenic Potential, and Mechanism of Epilepsy.

    Science.gov (United States)

    Wei, Feng; Yan, Li-Min; Su, Tao; He, Na; Lin, Zhi-Jian; Wang, Jie; Shi, Yi-Wu; Yi, Yong-Hong; Liao, Wei-Ping

    2017-08-01

    Ion channels are crucial in the generation and modulation of excitability in the nervous system and have been implicated in human epilepsy. Forty-one epilepsy-associated ion channel genes and their mutations are systematically reviewed. In this paper, we analyzed the genotypes, functional alterations (funotypes), and phenotypes of these mutations. Eleven genes featured loss-of-function mutations and six had gain-of-function mutations. Nine genes displayed diversified funotypes, among which a distinct funotype-phenotype correlation was found in SCN1A. These data suggest that the funotype is an essential consideration in evaluating the pathogenicity of mutations and a distinct funotype or funotype-phenotype correlation helps to define the pathogenic potential of a gene.

  6. Mechanism of caesium ion exchange on potassium cobalt hexacyanoferrates(II)

    Energy Technology Data Exchange (ETDEWEB)

    Lehto, J.; Haukka, S.; Harjula, R. (Helsinki Univ. (Finland). Dept. of Radiochemistry); Blomberg, M. (Helsinki Univ. (Finland). Dept. of Physics)

    1990-03-01

    The caesium uptakes by K{sub 2}(CoFe(CN){sub 6}) and non-stoicheiometric compounds K{sub 2/x}Co{sub x/2}(CoFe(CN){sub 6}) were found to correlate directly with the specific surface areas of the products with x < 1. The exchange process is assumed to involve only the outermost surface layer of their crystals, which have cubic lattice, i.e. only potassium (or cobalt) ions inside the elementary cubes closest to the surface of the crystals are exchanged for caesium ions. Compounds with x > 1 are mixtures of cubic potassium cobalt hexacyanoferrate (ii) and tetragonal Co{sub 2}Fe(CN){sub 6}. The thermodynamic equilibrium constant of the caesium exchange on K{sub 2}(CoFe(CN){sub 6}) was found to have a high value of 125. (author).

  7. Detailed analysis of the cell-inactivation mechanism by accelerated protons and light ions

    Czech Academy of Sciences Publication Activity Database

    Kundrát, Pavel

    2006-01-01

    Roč. 51, - (2006), s. 1185-1199 ISSN 0031-9155 R&D Projects: GA ČR GA202/05/2728 Institutional research plan: CEZ:AV0Z10100502 Keywords : biological effects of ionizing particles * cell inactivation * modelling * protons * light ions * hadron radiotherapy Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 2.873, year: 2006

  8. Study of mechanical and physicochemical properties of cementated spent ion-exchange-resins

    International Nuclear Information System (INIS)

    Patek, P.

    1981-09-01

    As first part of a study on the possibilities, to immobilize spent ion exchange resins, for final disposal, the dependence of compressive strength from the composition of cement - resin mixtures was detected. Powdered resins, bead resins and ashes from the incinerator plant and several cement brands were examinated. As result an area was defined in the three-phase diagram of cement, resins and water, in which the following leach tests will be performed. (author)

  9. Mechanical properties and ion release from bioactive restorative composites containing glass fillers and calcium phosphate nano-structured particles.

    Science.gov (United States)

    Chiari, Marina D S; Rodrigues, Marcela C; Xavier, Tathy A; de Souza, Eugen M N; Arana-Chavez, Victor E; Braga, Roberto R

    2015-06-01

    To evaluate the effect of the replacement of barium glass by dicalcium phosphate dihydrate (DCPD) particles on the mechanical properties and degree of conversion (DC) of composites. Additionally, calcium and hydrogen phosphate (HPO4(2-)) release were followed for 28 days. Nine composites containing equal parts (in mols) of BisGMA and TEGDMA and 40, 50 or 60 vol% of total filler were manipulated. Filler phase was constituted by silanated barium glass and 0%, 10% or 20% of DCPD particles. DC was determined by near-FTIR. Biaxial flexural strength (BFS) and modulus (E) were tested using the "piston on three balls" method, while fracture toughness (KIc) used the "single edge notched beam" method. Specimens were tested after 24h and 28 days in water. Ion release was determined using inductively coupled plasma optical emission spectrometry (ICP-OES). Data were analyzed by ANOVA/Tukey (DC and ion release) or Kruskal-Wallis/Mann-Whitney (mechanical properties; alpha: 5%). DC was not affected by DCPD. The presence of DCPD reduced BFS for both storage times, while differences in E became evident after 28 days. After 24h, KIc increased with the addition of DCPD; after 28 days, however, KIc decreased only for DCPD-containing composites. Calcium release was similar for both DCPD contents and remained fairly constant during the 28-day period. Overall, HPO4(2-) release was higher at 7 days and did not decrease after 14 days. The composite with the highest filler level and 10% DCPD represented the best compromise between mechanical properties after aging in water and ion release. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  10. Ion-conduction mechanisms in NaSICON-type membranes for energy storage and utilization

    Energy Technology Data Exchange (ETDEWEB)

    McDaniel, Anthony H. [Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Sandia National Laboratories, Albuquerque, NM (United States); Ihlefeld, Jon F. [Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Sandia National Laboratories, Albuquerque, NM (United States); Bartelt, Norman Charles [Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Sandia National Laboratories, Albuquerque, NM (United States)

    2015-10-01

    Next generation metal-ion conducting membranes are key to developing energy storage and utilization technologies like batteries and fuel ce lls. Sodium super-ionic conductors (aka NaSICON) are a class of compounds with AM 1 M 2 (PO 4 ) 3 stoichiometry where the choice of "A" and "M" cation varies widely. This report, which de scribes substitutional derivatives of NZP (NaZr 2 P 3 O 12 ), summarizes the accomplishments of a Laboratory D irected Research and Development (LDRD) project to analyze transport mec hanisms using a combination of in situ studies of structure, composition, and bonding, com bined with first principles theory and modeling. We developed an experimental platform and applied methods, such as synchrotron- based X-ray spectroscopies, to probe the electronic structure of compositionally well-controlled NaSICON films while in operation ( i.e ., conducting Na ions exposed to oxygen or water va por atmospheres). First principles theory and modeling were used to interpret the experimental observations and develop an enhanced understanding of atomistic processes that give rise to, and affect, ion conduction.

  11. Solid Sulphate Electrolytes The First Examples of a Strange Ion Transport Mechanism

    DEFF Research Database (Denmark)

    Aronsson, R.; Knape, H. E. G.; Lunden, A.

    1983-01-01

    Neutron and X-ray diffraction studies reveal that fcc Li//2SO//4, bcc LiNaSO//4, and bcc LiAgSO//4 are characterized by a strong rotational disorder of the sulfate ions which strongly enhances the mobility of the cations. Single crystal neutron scattering studies have been performed on fcc Li//2S...... of lithium ions in fcc Li//2SO//4 supports earlier conclusions from conductivity measurements.......Neutron and X-ray diffraction studies reveal that fcc Li//2SO//4, bcc LiNaSO//4, and bcc LiAgSO//4 are characterized by a strong rotational disorder of the sulfate ions which strongly enhances the mobility of the cations. Single crystal neutron scattering studies have been performed on fcc Li//2SO......//4 and the quasielastic scattering supports the previous conclusions, and more detailed information should be obtinable by this technique. The elastic constants of fcc Li//2SO//4 have been determined by Brillouin scattering. The information obtained so far by Raman scattering concerning the motion...

  12. Effect of alkali ions (Na+, K+, Cs+) on reaction mechanism of CZTS nano-particles synthesis

    Science.gov (United States)

    Kumar, Suresh; Altosaar, Mare; Grossberg, Maarja; Mikli, Valdek

    2018-04-01

    The control of morphology, elemental composition and phase composition of Cu2ZnSnS4 (CZTS) nano-crystals depends on the control of complex formation and surface stabilization of nano-particles in solution-based synthesis in oleylamine. At temperatures ≥280 °C, the control of nano-crystal's morphology and homogenous growth is difficult because of fast poly-nuclear growth occurring at higher temperatures. In the present work the effect of oleylamine complex formation with different alkali ions (Na+, K+ and Cs+) on nano-crystals growth at synthesis temperature of 280 °C was studied. It was found that nano-powders synthesized in the presence of Na+ and K+ ions showed the formation of crystals of different sizes - small nano-particles (18 nm-30 nm), large aggregated crystals (few nm to 1 μm) and large single crystals (1 μm - 4 μm). The presence of Cs+ ions in the nano-powder synthesis in oleylamine-metal precursor-CsOH solution promoted growth of nano-crystals of homogenous size. It is proposed that the formed oleylamine-Cs complexes a) enhance the formation and stabilization of oleylamine-metal (Cu, Zn and Sn) complexes before the injection of sulphur precursor into the oleylamine-metal precursor solution and b) after addition of sulphur stabilize the fast nucleated nano-particles and promote diffusion limited growth.

  13. Effective adsorption of oil droplets from oil-in-water emulsion using metal ions encapsulated biopolymers: Role of metal ions and their mechanism in oil removal.

    Science.gov (United States)

    Elanchezhiyan, S Sd; Prabhu, Subbaiah Muthu; Meenakshi, Sankaran

    2018-06-01

    Herein, synthesized and compared the three different kinds of hybrid bio-polymeric composites viz., lanthanum embedded chitosan/gelatin (La@CS-GEL), zirconium embedded chitosan/gelatin (Zr@CS-GEL) and cerium embedded chitosan/gelatin (Ce@CS-GEL) in terms of their oil uptake efficiency. The adsorption efficiency was studied under various optimized parameters like contact time, pH, dose, initial oil concentration and temperature. The oil adsorption capacity was found to be 91, 82 and 45% for La@CS-GEL, Zr@CS-GEL and Ce@CS-GEL composites respectively. The metals were used as a bridging material to connect both CS and GEL using the hydrophilic groups to enhance the oil recovery by hydrophobic interaction. Also, the introduction of metal ions on the surface of biopolymers would modify the oil/water properties which in turn, decrease the interfacial tension between oil and water phases. The mechanism of oil uptake was explained using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), scanning electron microscope (SEM), energy dispersive X-ray (EDAX) and heat of combustion. The experimental data confirmed Langmuir isotherm as the best fit for oil adsorption process. Thermodynamic parameters such as standard free energy (ΔG°), standard enthalpy (ΔH°) and standard entropy (ΔS°) indicated that the oil adsorption was spontaneous and endothermic. The oil adsorption mechanism was established based on isotherm and thermodynamic models. Copyright © 2018 Elsevier B.V. All rights reserved.

  14. Relaxation of mechanical stresses in Si-Ge/Si structures implanted by carbon ions. Study with optical methods

    International Nuclear Information System (INIS)

    Klyuj, M.Yi.

    1998-01-01

    Optical properties of Si-Ge/Si structures implanted by carbon ions with the energy of 20 keV and at the doses of 5 centre dot 10 15 - 1- 16 cm -2 are studied by spectro ellipsometry and Raman scattering techniques. From the comparison of experimental data with the results of theoretical calculations, it is shown that, as a result of implantation, a partial relaxation of mechanical stresses in the Si 1-x Ge x film due to introduction of carbon atoms with a small covalent radius into the Si-Ge lattice takes place. An elevated implantation temperature allows one to maintain a high structural perfection of the implanted film

  15. Depth distribution of bubbles in 4He+-ion irradiated nickel and the mechanism of blister formation

    International Nuclear Information System (INIS)

    Fenske, G.; Das, S.K.; Kaminsky, M.; Miley, G.H.

    1978-01-01

    While the radiation blistering phenomenon has been widely studied, the mechanism of blister formation is still not well understood. The present studies on depth distribution of helium bubbles in nickel were carried out in order to obtain a better understanding of the radiation blistering process. Particularly, the aim was to understand the experimental observation that the blister skin thickness for many metals irradiated with He + ions of energies lower than 20-keV is a factor of two or more larger than the calculated projected range. (Auth.)

  16. Molecular mechanisms of aluminium ions neurotoxicity in brain cells of fish from various pelagic areas

    Directory of Open Access Journals (Sweden)

    E. V. Sukharenko

    2017-07-01

    Full Text Available Neurotoxic effects of aluminum chloride in higher than usual environment concentration (10 mg/L were studied in brains of fishes from various pelagic areas, especially in sunfish (Lepomis macrochirus Rafinesque, 1819, roach (Rutilus rutilus Linnaeus, 1758, crucian carp (Carasius carasius Linnaeus, 1758, goby (Neogobius fluviatilis Pallas, 1811. The intensity of oxidative stress and the content of both cytoskeleton protein GFAP and cytosol Ca-binding protein S100β were determined. The differences in oxidative stress data were observed in the liver and brain of fish during 45 days of treatment with aluminum chloride. The data indicated that in the modeling of aluminum intoxication in mature adult fishes the level of oxidative stress was noticeably higher in the brain than in the liver. This index was lower by1.5–2.0 times on average in the liver cells than in the brain. The obtained data evidently demonstrate high sensitivity to aluminum ions in neural tissue cells of fish from various pelagic areas. Chronic intoxication with aluminum ions induced intense astrogliosis in the fish brain. Astrogliosis was determined as result of overexpression of both cytoskeleton and cytosole markers of astrocytes – GFAP and protein S100β (on 75–112% and 67–105% accordingly. Moreover, it was shown that the neurotixic effect of aluminum ions is closely related to metabolism of astroglial intermediate filaments. The results of western blotting showed a considerable increase in the content of the lysis protein products of GFAP with a range of molecular weight from 40–49 kDa. A similar metabolic disturbance was determined for the upregulation protein S100β expression and particularly in the increase in the content of polypeptide fragments of this protein with molecular weight 24–37 kDa. Thus, the obtained results allow one to presume that aluminum ions activate in the fish brain intracellular proteases which have a capacity to destroy the proteins of

  17. Metal ion coordination in the E. coli Nudix hydrolase dihydroneopterin triphosphate pyrophosphatase: New clues into catalytic mechanism.

    Directory of Open Access Journals (Sweden)

    Shannon E Hill

    Full Text Available Dihydroneopterin triphosphate pyrophosphatase (DHNTPase, a member of the Mg2+ dependent Nudix hydrolase superfamily, is the recently-discovered enzyme that functions in the second step of the pterin branch of the folate biosynthetic pathway in E. coli. DHNTPase is of interest because inhibition of enzymes in bacterial folate biosynthetic pathways is a strategy for antibiotic development. We determined crystal structures of DHNTPase with and without activating, Mg2+-mimicking metals Co2+ and Ni2+. Four metal ions, identified by anomalous scattering, and stoichiometrically confirmed in solution by isothermal titration calorimetry, are held in place by Glu56 and Glu60 within the Nudix sequence motif, Glu117, waters, and a sulfate ion, of which the latter is further stabilized by a salt bridge with Lys7. In silico docking of the DHNTP substrate reveals a binding mode in which the pterin ring moiety is nestled in a largely hydrophobic pocket, the β-phosphate activated for nucleophilic attack overlays with the crystallographic sulfate and is in line with an activated water molecule, and remaining phosphate groups are stabilized by all four identified metal ions. The structures and binding data provide new details regarding DHNTPase metal requirements, mechanism, and suggest a strategy for efficient inhibition.

  18. Metal ion coordination in the E. coli Nudix hydrolase dihydroneopterin triphosphate pyrophosphatase: New clues into catalytic mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Shannon E.; Nguyen, Elaine; Ukachukwu, Chiamaka U.; Freeman, Dana M.; Quirk, Stephen; Lieberman, Raquel L.; Boggon, Titus J.

    2017-07-25

    Dihydroneopterin triphosphate pyrophosphatase (DHNTPase), a member of the Mg2+ dependent Nudix hydrolase superfamily, is the recently-discovered enzyme that functions in the second step of the pterin branch of the folate biosynthetic pathway in E. coli. DHNTPase is of interest because inhibition of enzymes in bacterial folate biosynthetic pathways is a strategy for antibiotic development. We determined crystal structures of DHNTPase with and without activating, Mg2+-mimicking metals Co2+ and Ni2+. Four metal ions, identified by anomalous scattering, and stoichiometrically confirmed in solution by isothermal titration calorimetry, are held in place by Glu56 and Glu60 within the Nudix sequence motif, Glu117, waters, and a sulfate ion, of which the latter is further stabilized by a salt bridge with Lys7. In silico docking of the DHNTP substrate reveals a binding mode in which the pterin ring moiety is nestled in a largely hydrophobic pocket, the β-phosphate activated for nucleophilic attack overlays with the crystallographic sulfate and is in line with an activated water molecule, and remaining phosphate groups are stabilized by all four identified metal ions. The structures and binding data provide new details regarding DHNTPase metal requirements, mechanism, and suggest a strategy for efficient inhibition.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-15

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

  20. Mechanical properties and plasticity size effect of Fe-6%Cr irradiated by Fe ions and by neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Hardie, C.D., E-mail: chris.hardie@ukaea.uk [EURATOM/CCFE Association, Culham Centre for Fusion Energy (CCFE), Abingdon, Oxfordshire, OX14 3DB (United Kingdom); Department of Materials, University of Oxford, Oxford, OX1 3PH (United Kingdom); Odette, G.R.; Wu, Y. [UCSB Department of Mechanical Engineering, 2343 Engineering II Building, Santa Barbara, CA 93106-5070 (United States); Akhmadaliev, S. [Helmholtz-Zentrum Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, D-01328 Dresden (Germany); Roberts, S.G. [EURATOM/CCFE Association, Culham Centre for Fusion Energy (CCFE), Abingdon, Oxfordshire, OX14 3DB (United Kingdom); Department of Materials, University of Oxford, Oxford, OX1 3PH (United Kingdom)

    2016-12-15

    The mechanical behaviour of Fe6%Cr in the un-irradiated, self-ion irradiated and neutron irradiated conditions was measured and compared. Irradiations were performed to the same dose and at the same temperature but to very different damage rates for both methods. The materials were tested using nanoindentation and micromechanical testing, and compared with microstructural observations from Transmission Electron Microscopy (TEM) and Atom Probe Tomography (APT) reported elsewhere. Irradiated and un-irradiated micro-cantilevers with a wide range of dimensions were used to study the interrelationships between irradiation hardening and size effects in small-scale plasticity. TEM and APT results identified that the dislocation loop densities were ∼2.9 × 10{sup 22}m{sup −3} for the neutron irradiated material and only 1.4 × 10{sup 22}m{sup −3} for the ion irradiated material. Cr segregation to loops was only found for the neutron-irradiated material. The nanoindentation hardness increase due to neutron irradiation was 3 GPa and that due to ion irradiation 1 GPa. The differences between the effects of the two irradiation types are discussed, taking into account inconsistencies in damage calculations, and the differences in PKA spectra, dose rate and transmutation products for the two irradiation types.

  1. Mechanisms of Degradation and Strategies for the Stabilization of Cathode-Electrolyte Interfaces in Li-Ion Batteries.

    Science.gov (United States)

    Cabana, Jordi; Kwon, Bob Jin; Hu, Linhua

    2018-02-20

    Undesired reactions at the interface between a transition metal oxide cathode and a nonaqueous electrolyte bring about challenges to the performance of Li-ion batteries in the form of compromised durability. These challenges are especially severe in extreme conditions, such as above room temperature or at high potentials. The ongoing push to increase the energy density of Li-ion batteries to break through the existing barriers of application in electric vehicles creates a compelling need to address these inefficiencies. This goal requires a combination of deep knowledge of the mechanisms underpinning reactivity, and the ability to assemble multifunctional electrode systems where different components synergistically extend cycle life by imparting interfacial stability, while maintaining, or even increasing, capacity and potential of operation. The barriers toward energy storage at high density apply equally in Li-ion, the leading technology in the battery market, and in related, emerging concepts for high energy density, such as Na-ion and Mg-ion, because they also conceptually rely on electroactive transition metal oxides. Therefore, their relevance is broad and the quest for solutions inevitable. In this Account, we describe mechanisms of reaction that can degrade the interface between a Li-ion battery electrolyte and the cathode, based on an oxide with transition metals that can reach high formal oxidation states. The focus is placed on cathodes that deliver high capacity and operate at high potential because their development would enable Li-ion battery technologies with high capacity for energy storage. Electrode-electrolyte instabilities will be identified beyond the intrinsic potential windows of stability, by linking them to the electroactive transition metals present at the surface of the electrode. These instabilities result in irreversible transformations at these interfaces, with formation of insulating layers that impede transport or material loss due

  2. Role of aqueous sulfide and sulfate-reducing bacteria in the kinetics and mechanisms of the reduction of uranyl ion

    International Nuclear Information System (INIS)

    Mohagheghi, A.

    1985-01-01

    Formation of sedimentary rock-hosted uranium ore deposits is thought to have resulted from the reduction by aqueous sulfide species of relatively soluble uranyl ion (U(VI)) to insoluble uranium(IV) oxides and silicates. The origin of this H 2 S in such deposits can be either biogenic or abiogenic. Therefore, the kinetics and mechanism of uranyl ion reduction by aqueous sulfide, and the effect of several key variables on the reduction process in non-bacterial (sterile) systems was studied. The role of both pure and mixed cultures of sulfate-reducing bacteria on the reduction process was also investigated. In sterile systems the reduction reaction generally occurred by a two step reaction sequence. Uranium(V) (as UO 2 + ) and U(IV) (as UO 2 the mineral uraninite) were the intermediate and final products, respectively. The initial concentration of uranyl ion required for reaction initiation had a minimum value of 0.8 ppm at pH 7, and was higher at pH values less than or greater than 7. An induction period was observed in all experiments. No reduction was observed after 8 hours at pH 8. Although increasing ionic strength increased the length of the induction period, it also increased the rate of the reduction of UO 2 + in the second step. No reaction was observed under any experimental conditions with initial UO 2 2+ concentration less than 0.1 ppm, which is thought to be typical for ore forming solutions. However, by absorbing uranyl ion onto kaolinite, the reduction by H 2 S occurred at lower UO 2 2+ concentrations (∼ 0.1 ppm) in that in the homogeneous system. Thus, adsorption may play a significant role in the reduction and therefore in the formation of ore deposits

  3. Experimental and Quantum-mechanical Investigation of the Vinylsilane-Iminium Ion Cyclization

    DEFF Research Database (Denmark)

    Kværnø, Lisbet; Norrby, Per-Ola; Tanner, David Ackland

    2003-01-01

    be obtained for iminium species derived from 7. Quantum-mechanical investigations of the general reaction mechanism underlined the lack of reactivity of ketiminium species and also convincingly explained the observed diastereoselectivities of aldiminium species. The calculations further revealed that (Z...

  4. Ion desorption induced by charged particle beams: mechanisms and mass spectroscopy

    International Nuclear Information System (INIS)

    Silveira, E.F. da; Schweikert, E.A.

    1988-01-01

    Surface analysis, through desorption, induced by fast particles, is presented and discussed. The stopping of projectils is essentially made by collisions with the target electrons. The desorbed particles are generally emmited with kinetic energy from 0.1 to 20 eV. Mass, charge, velocity and emission angle give information about the surface components, its structure as well as beam-solid interaction processes. Time-of-flight mass spectroscopy of desorbed ions, determine the mass of organic macromolecules and biomolecules. (A.C.A.S.) [pt

  5. Final Report: Mechanisms of sputter ripple formation: coupling among energetic ions, surface kinetics, stress and composition

    Energy Technology Data Exchange (ETDEWEB)

    Chason, Eric; Shenoy, Vivek

    2013-01-22

    Self-organized pattern formation enables the creation of nanoscale surface structures over large areas based on fundamental physical processes rather than an applied template. Low energy ion bombardment is one such method that induces the spontaneous formation of a wide variety of interesting morphological features (e.g., sputter ripples and/or quantum dots). This program focused on the processes controlling sputter ripple formation and the kinetics controlling the evolution of surfaces and nanostructures in high flux environments. This was done by using systematic, quantitative experiments to measure ripple formation under a variety of processing conditions coupled with modeling to interpret the results.

  6. Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.

    Science.gov (United States)

    Chen, Qiang; Kinde, Monica N; Arjunan, Palaniappa; Wells, Marta M; Cohen, Aina E; Xu, Yan; Tang, Pei

    2015-09-08

    Pentameric ligand-gated ion channels (pLGICs) are targets of general anesthetics, but molecular mechanisms underlying anesthetic action remain debatable. We found that ELIC, a pLGIC from Erwinia chrysanthemi, can be functionally inhibited by isoflurane and other anesthetics. Structures of ELIC co-crystallized with isoflurane in the absence or presence of an agonist revealed double isoflurane occupancies inside the pore near T237(6') and A244(13'). A pore-radius contraction near the extracellular entrance was observed upon isoflurane binding. Electrophysiology measurements with a single-point mutation at position 6' or 13' support the notion that binding at these sites renders isoflurane inhibition. Molecular dynamics simulations suggested that isoflurane binding was more stable in the resting than in a desensitized pore conformation. This study presents compelling evidence for a direct pore-binding mechanism of isoflurane inhibition, which has a general implication for inhibitory action of general anesthetics on pLGICs.

  7. Electrochemical acidification of Kraft black liquor by electrodialysis with bipolar membrane: Ion exchange membrane fouling identification and mechanisms.

    Science.gov (United States)

    Haddad, Maryam; Mikhaylin, Sergey; Bazinet, Laurent; Savadogo, Oumarou; Paris, Jean

    2017-02-15

    Integrated forest biorefinery offers promising pathways to sustainably diversify the revenue of pulp and paper industry. In this context, lignin can be extracted from a residual stream of Kraft pulping process, called black liquor, and subsequently converted into a wide spectrum of bio-based products. Electrochemical acidification of Kraft black liquor by electrodialysis with bipolar membrane results in lignin extraction and caustic soda production. Even though the implementation of this method requires less chemicals than the chemical acidification process, fouling of the ion exchange membranes and especially bipolar membrane impairs its productivity. Membrane thickness and ash content measurements along with scanning electron microscopy (SEM), elemental analysis (EDX) and X-ray photoelectron spectrometry (XPS) analysis were performed to identify the nature and mechanisms of the membrane fouling. The results revealed that the fouling layer mostly consisted of organic components and particularly lignin. Based on our proposed fouling mechanisms, throughout the electrodialysis process the pH of the black liquor gradually decreased and as a result more proton ions were available to trigger protonation reaction of lignin phenolic groups and decrease the lignin solubility. Due to the abundance of the proton ions on the surface of the cation exchange layers of the bipolar membrane, destabilized lignin macro-molecules started to self-aggregate and formed lignin clusters on its surface. Over the time, these lignin clusters covered the entire surface of the bipolar membrane and the spaces between the membranes and, eventually, attached to the surface of the cation exchange membrane. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. Metal and pharmaceutical mixtures: Is ion loss the mechanism underlying acute toxicity and widespread additive toxicity in zebrafish?

    International Nuclear Information System (INIS)

    Alsop, Derek; Wood, Chris M.

    2013-01-01

    Highlights: •Zebrafish larvae were used to test the acute toxicity of contaminant mixtures. •Interactions were observed between metals, ammonia and pharmaceuticals. •Larval Na + loss was observed with exposure to all acutely toxic contaminants tested. •Water quality criteria should recognize the toxic interactions between contaminants. -- Abstract: The acute toxicities and mechanisms of action of a variety of environmental contaminants were examined using zebrafish larvae (Danio rerio; 4–8 days post fertilization). Toxic interactions were observed between metals. For example, the addition of a sublethal level of nickel (15% of the LC 50 , one third of the LC 01 ) to all copper treatments decreased the copper 96 h LC 50 by 58%, while sublethal copper exposure (6% of the copper LC 50 , 13% of the LC 01 ) decreased the cadmium 96 h LC 50 by 47%. Two predictive models were assessed, the concentration addition (CA) model, which assumes similar mechanisms of action, and the independent action (IA) model, which assumes different mechanisms of action. Quantitative comparisons indicated the CA model performed better than the IA model; the latter tended to underestimate combined toxicity to a greater extent. The effects of mixtures with nickel or ammonia were typically additive, while mixtures with copper or cadmium were typically greater than additive. Larvae exposed to cadmium, copper or nickel experienced whole body ion loss. Decreases were greatest for Na + followed by K + (as high as 19% and 9%, respectively, in 24 h). Additive toxicity between copper and other pharmaceutical compounds such as fluoxetine (Prozac™), β-naphthoflavone, estrogen and 17α-ethinylestradiol were also observed. Similar to metals, acutely toxic concentrations of fluoxetine, β-naphthoflavone and ammonia all decreased whole body Na + and K + . Overall, whole body Na + loss showed the greatest correlation with mortality across a variety of toxicants. We theorize that a disruption of

  9. Hybrid Quantum Mechanical-Quasi-Classical Model for Evaluating Ionization and Stripping Cross Sections in Atom-Ion Collisions

    CERN Document Server

    Kaganovich, I D; Startsev, E

    2005-01-01

    Ion-atom ionization cross sections are needed in many applications employing the propagation of fast ions through matter. When experimental data or full-scale theoretical calculations are non-existent, approximate methods must be used. The most robust and easy-to-use approximations include the Born approximation of quantum mechanics and the quasi-classical approach utilizing classical mechanics together with the Bohr-Sommerfeld quantization rule.* The simplest method to extend the validity of both approaches is to combine them, i.e., use the two different approaches but only for the regions of impact parameters in which they are valid, and sum the results to obtain the total cross section. We have recently investigated theoretically and experimentally the stripping of more than 18 different pairs of projectile and target atoms in the range of 3-38 MeV/amu to study the range of validity of various approximations. The results of the modified approach agree better with the experimental data than either the Born ...

  10. Degradation mechanisms of optoelectric properties of GaN via highly-charged 209Bi33+ ions irradiation

    Science.gov (United States)

    Zhang, L. Q.; Zhang, C. H.; Xian, Y. Q.; Liu, J.; Ding, Z. N.; Yan, T. X.; Chen, Y. G.; Su, C. H.; Li, J. Y.; Liu, H. P.

    2018-05-01

    N-type gallium nitride (GaN) epitaxial layers were subjected to 990-keV Bi33+ ions irradiation to various fluences. Optoelectric properties of the irradiated-GaN specimens were studied by means of Raman scattering and variable temperature photoluminescence (PL) spectroscopy. Raman spectra reveal that both the free-carrier concentration and its mobility generally decrease with a successive increase in ion fluence. Electro-optic mechanisms dominated the electrical transport to a fluence of 1.061 × 1012 Bi33+/cm2. Above this fluence, electrical properties were governed by the deformation potential. The appearance of vacancy-type defects results in an abrupt degradation in electrical transports. Varying temperature photoluminescence (PL) spectra display that all emission lines of 1.061 × 1012 Bi33+/cm2-irradiated specimen present a general remarkable thermal redshift, quenching, and broadening, including donor-bound-exciton peak, yellow luminescence band, and LO-phonon replicas. Moreover, as the temperature rises, a transformation from excitons (donor-acceptor pairs' luminescence) to band-to-band transitions (donor-acceptor combinations) was found, and the shrinkage effect of the band gap dominated the shift of the peak position gradually, especially the temperature increases above 150 K. In contrast to the un-irradiated specimen, a sensitive temperature dependence of all photoluminescence (PL) lines' intensity obtained from 1.061 × 1012 Bi33+/cm2-irradiated specimen was found. Mechanisms underlying were discussed.

  11. Effect of triple ion beam irradiation on mechanical properties of high chromium austenitic stainless steel

    International Nuclear Information System (INIS)

    Ioka, Ikuo; Futakawa, Masatoshi; Nanjyo, Yoshiyasu; Kiuchi, Kiyoshi; Anegawa, Takefumi

    2003-01-01

    A high-chromium austenitic stainless steel has been developed for an advanced fuel cladding tube considering waterside corrosion and irradiation embrittlement. The candidate material was irradiated in triple ion (Ni, He, H) beam modes at 573 K up to 50 dpa to simulate irradiation damage by neutron and transmutation product. The change in hardness of the very shallow surface layer of the irradiated specimen was estimated from the slope of load/depth-depth curve which is in direct proportion to the apparent hardness of the specimen. Besides, the Swift's power low constitutive equation (σ=A(ε 0 + ε) n , A: strength coefficient, ε 0 : equivalent strain by cold rolling, n: strain hardening exponent) of the damaged parts was derived from the indentation test combined with an inverse analysis using a finite element method (FEM). For comparison, Type304 stainless steel was investigated as well. Though both Type304SS and candidate material were also hardened by ion irradiation, the increase in apparent hardness of the candidate material was smaller than that of Type304SS. The yield stress and uniform elongation were estimated from the calculated constitutive equation by FEM inverse analysis. The irradiation hardening of the candidate material by irradiation can be expected to be lower than that of Type304SS. (author)

  12. Effect on structure and mechanical property of tungsten irradiated by high intensity pulsed ion beam

    Science.gov (United States)

    Mei, Xianxiu; Zhang, Xiaonan; Liu, Xiaofei; Wang, Younian

    2017-09-01

    The anti-thermal radiation performance of tungsten was investigated by high intensity pulsed ion beam technology. The ion beam was mainly composed of Cn+ (70%) and H+ (30%) at an acceleration voltage of 250 kV under different energy densities for different number of pulses. GIXRD analysis showed that no obvious phase structural changes occurred on the tungsten, and microstress generated. SEM analysis exhibited that there was no apparent irradiation damage on the surface of tungsten at the low irradiation frequency (3 times and 10 times) and at the low energy density (0.25 J/cm2 and 0.7 J/cm2). Cracks appeared on the surface of tungsten after 100-time and 300-time irradiation. Shedding phenomenon even appeared on the surface of tungsten at the energy densities of 1.4 J/cm2 and 2.0 J/cm2. The surface nano-hardness of tungsten decreased with the increase of the pulse times and the energy density. The tungsten has good anti-thermal radiation properties under certain heat load environment.

  13. Mechanism of Biosorption of Nickel Ions from Polluted Effluent by Bacillus sp. Strain MGL-75

    Directory of Open Access Journals (Sweden)

    Salman Ahmadi Asbchin

    2013-08-01

    Full Text Available The aim of this work was to investigate Bacillus sp. strain MGL-75 as biosorbent, for the fixation of Ni ion in batch reactor. Pollution of the environment by toxic metals is a major environmental concern. In a first step, biosorption kinetics and isotherms have been performed at pH 7. The equilibrium time was about 5 min and the adsorption equilibrium data were well described by the Langmuir`s equation. The point of zero net proton charge (PZNPC was found close to pH 5.7. Using the single extrapolation method, three kinds of acidic functional groups with three intrinsic pka were determined at 4.4, 6.9 and 11.2. The maximum capacity has been extrapolated to 0/52 mmol/g. Finally the effect of autoclave, 2, 4 Dinitrophenol (DNF and Na-Azid (NaN3, and the effect of pH values, were studied. These results indicated that the Bacillus sp. strain MGL-75 is an excellent candidate for use in reactor to remove Nickel ions from polluted aqueous effluents.

  14. Population trapping: The mechanism for the lost resonance lines in Pm-like ions

    Science.gov (United States)

    Kato, Daiji; Sakaue, Hiroyuki A.; Murakami, Izumi; Nakamura, Nobuyuki

    2017-10-01

    We report a population kinetics study on line emissions of the Pm-like Bi22+ performed by using a collisional-radiative (CR) model. Population rates of excited levels are analyzed to explain the population trapping in the 4f135s2 state which causes the loss of the 5s - 5p resonance lines in emission spectra. Based on the present analysis, we elucidate why the population trapping is not facilitated for a meta-stable excited level of the Sm-like Bi21+. The emission line spectra are calculated for the Pm-like isoelectronic sequence from Au18+ through W13+ and compared with experimental measurements by electron-beam-ion-traps (EBITs). Structures of the spectra are similar for all of the cases except for calculated W13+ spectra. The calculated spectra are hardly reconciled with the measured W13+ spectrum using the compact electron-beam-ion-trap (CoBIT) [Phys. Rev. A 92 (2015) 022510].

  15. Mechanism and Modelling for Sorption of Toxic Ion on Cement Kiln Dust

    International Nuclear Information System (INIS)

    EI- Dakroury, A.; Sayed, M.S.; EL- Sherif, E.

    2009-01-01

    Cement manufacturing is a critically important industry in Egypt. These industrial by-product and waste materials must be managed responsibly to insure a clean and safe environment. Cement kiln dust (CKD) is a significant by-product material of the cement manufacturing process. Cement kiln dust is a waste residue composed chiefly of oxidized, anhydrous, micron - sized particles generated as a by product of the manufacture of Portland cement. The use of cement kiln dust as adsorbent in wastewater treatment has a great attention as cheap material and clay structure. This work will discuss the basic characteristics of CKD physical and chemical properties and regulatory requirements: The batch removal of Cr(VI) from aqueous solution using low cost adsorbents such as cement kiln dust under different experimental conditions. The influences of initial Cr (VI) ion concentration (20 to 300 mg1-1) and ph (1 to 4) were investigated in this study. Adsorption of Cr (VI) is highly ph-dependent and the results indicate that the optimum ph for the removal was found to be 1 for CKD. A comparison of kinetic models applied to the adsorption of Cr (VI) ions on the CKD was evaluated for the pseudo first order, the pseudo second-order, Elovich and intra particle diffusion kinetic models, respectively. The results showed that the pseudo second-order kinetic model was found to correlate the experimental data well

  16. Therapeutic ion-releasing bioactive glass ionomer cements with improved mechanical strength and radiopacity

    Directory of Open Access Journals (Sweden)

    Maximilian eFuchs

    2015-10-01

    Full Text Available Bioactive glasses (BG are used to regenerate bone, as they degrade and release therapeutic ions. Glass ionomer cements (GIC are used in dentistry, can be delivered by injection and set in situ by a reaction between an acid-degradable glass and a polymeric acid. Our aim was to combine the advantages of BG and GIC, and we investigated the use of alkali-free BG (SiO2-CaO-CaF2-MgO with 0 to 50% of calcium replaced by strontium, as the beneficial effects of strontium on bone formation are well documented. When mixing BG and poly(vinyl phosphonic-co-acrylic acid, ions were released fast (up to 90% within 15 minutes at pH 1, which resulted in GIC setting, as followed by infrared spectroscopy. GIC mixed well and set to hard cements (compressive strength up to 35 MPa, staying hard when in contact with aqueous solution. This is in contrast to GIC prepared with poly(acrylic acid, which were shown previously to become soft in contact with water. Strontium release from GIC increased linearly with strontium for calcium substitution, allowing for tailoring of strontium release depending on clinical requirements. Furthermore, strontium substitution increased GIC radiopacity. GIC passed ISO10993 cytotoxicity test, making them promising candidates for use as injectable bone cements.

  17. Observation and Modeling of the Generation Mechanism of Ion Upflow during Sudden Commencement

    Science.gov (United States)

    Zou, S.; Ozturk, D. S.; Li, C.; Varney, R. H.; Reimer, A.

    2017-12-01

    Sudden commencement (SC) induced by solar wind pressure enhancement can produce significant global impact on the coupled magnetosphere-ionosphere (MI) system, and its effects have been studied extensively using ground magnetometers and coherent scatter radars. However, very limited observations have been reported about the effects of SC on the ionospheric plasma. We study the ionosphere response to the SC using the Poker Flat incoherent scatter radar (PFISR) and numerical simulations. A detailed case study of SC during the 17 March 2015 storm was conducted. PFISR observed lifting of the F region ionosphere, transient field-aligned ion upflow, prompt but short-lived ion temperature increase, subsequent F region density decrease, and persistent electron temperature increase. A global magnetohydrodynamic (MHD) simulation has been carried out to characterize the SC-induced current, convection, and magnetic perturbations. Simulated magnetic perturbations at Poker Flat show a satisfactory agreement with observations. The simulation provides a global context for linking localized PFISR observations to large-scale dynamic processes in the MI system. Following the case study, we also perform a statistical study of the effects of SC on the ionosphere focusing on the magnetic local time and latitudinal asymmetries using PFISR and GPS TEC.

  18. Mathematical modeling of impact of two metal plates using two-fluid approach

    Science.gov (United States)

    Utkin, P. S.; Fortova, S. V.

    2018-01-01

    The paper is devoted to the development of the two-fluid mathematical model and the computational algorithm for the modeling of two metal plates impact. In one-dimensional case the governing system of equations comprises seven equations: three conservation laws for each fluid and transfer equation for the volume fraction of one of the fluids. Both fluids are considered to be compressible and equilibrium on velocities. Pressures equilibrium is used as fluids interface condition. The system has hyperbolic type but could not be written in the conservative form because of nozzling terms in the right-hand side of the equations. The algorithm is based on the Harten-Lax-van Leer numerical flux function. The robust computation in the presence of the interface boundary is carried out due to the special pressure relaxation procedure. The problem is solved using stiffened gas equations of state for each fluid. The parameters in the equations of state are calibrated using the results of computations using wide-range equations of state for the metals. In simulations of metal plates impact we get two shocks after the initial impact that propagate to the free surfaces of the samples. The characteristics of shock waves are close (maximum relative error in characteristics of shocks is not greater than 7%) to the data from the wide-range equations of states computations.

  19. Study on the antibacterial mechanism of copper ion- and neodymium ion-modified α-zirconium phosphate with better antibacterial activity and lower cytotoxicity.

    Science.gov (United States)

    Cai, Xiang; Zhang, Bin; Liang, Yuanyuan; Zhang, Jinglin; Yan, Yinghui; Chen, Xiaoyin; Wu, Zhimin; Liu, Hongxi; Wen, Shuiping; Tan, Shaozao; Wu, Ting

    2015-08-01

    To improve the antibacterial activity of Cu(2+), a series of Cu(2+) and/or Nd(3+)-modified layered α-zirconium phosphate (ZrP) was prepared and characterized, and the antibacterial activities of the prepared Cu(2+) and/or Nd(3+)-modified ZrP on Gram-negative Escherichia coli were investigated. The results showed that the basal spacing of ZrP was not obviously affected by the incorporation of Cu(2+), but the basal spacing of the modified ZrP changed into an amorphous state with increasing additions of Nd(3+). An antibacterial mechanism showed that Cu(2+) and Nd(3+) could enter into E. coli cells, leading to changes in ion concentrations and leakage of DNA, RNA and protein. The Cu(2+)- and Nd(3+)-modified ZrP, combining the advantages of Cu(2+) and Nd(3+), displayed excellent additive antibacterial activity and lower cytotoxicity, suggesting the great potential application as an antibacterial powder for microbial control. Crown Copyright © 2015. Published by Elsevier B.V. All rights reserved.

  20. Structural and mechanical properties of hydroxyapatite coatings formed by ion-beam assisted deposition

    Science.gov (United States)

    Zykova, A.; Safonov, V.; Dudin, S.; Yakovin, S.; Donkov, N.; Ghaemi, M. H.; Szkodo, M.; Antoszkiewicz, M.; Szyfelbain, M.; Czaban, A.

    2018-03-01

    The ion-beam assisted deposition (IBAD) is an advanced method capable of producing crystalline coatings at low temperatures. We determined the characteristics of hydroxyapatite Ca10(PO4)6(OH)2 target and coatings formed by IBAD using X-ray photoemission spectroscopy (XPS), X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and energy dispersive X-ray (EDX). The composition of the coatings’ cross-section and surface was close to those of the target. The XPS spectra showed that the binding energy values of Ca (2p1/2, 2p3/2), P (2p3/2), and O 1s levels are related to the hydroxyapatite phase. The coatings demonstrate an optimal H/E ratio, and a good resistance to scratch tests.

  1. Magnetic field related mechanical tolerances for the proposed Chalk River superconducting heavy-ion cyclotron

    International Nuclear Information System (INIS)

    Heighway, E.A.; Chaplin, K.R.

    1977-11-01

    A four sector azimuthally varying field cyclotron with superconducting main coils has been proposed as a heavy-ion post-accelerator for the Chalk River MP Tandem van de Graaff. The radial profile of the average axial field will be variable using movable steel trim rods. The field errors due to coil, trim rod and flutter pole imperfections are calculated. Those considered are errors in the axial field, first and second azimuthal harmonic axial fields, transverse field and first azimuthal harmonic transverse field. Such fields induce phase slip, axial or radial coherent oscillations and can result in axial or radial beam instability. The allowed imperfections (tolerances) required to retain stability and maintain acceptably small coherent oscillation amplitudes are calculated. (author)

  2. Mechanical design of the ITER ion cyclotron heating launcher based on in-vessel tuning system

    Energy Technology Data Exchange (ETDEWEB)

    Vulliez, K. [Association Euratom-CEA, CEA/DSM/DRFC, CEA Cadarache, F-13108 St Paul Lez Durance (France)], E-mail: karl.vulliez@cea.fr; Bosia, G. [Dipartimento di Fisica Generale, Universita di Torino (Italy); Agarici, G.; Beaumont, B.; Argouarch, A.; Mollard, P. [Association Euratom-CEA, CEA/DSM/DRFC, CEA Cadarache, F-13108 St Paul Lez Durance (France); Testoni, P. [Electrical and Electronics Engineering Department, University of Cagliari (Italy); Maggiora, R.; Milanesio, D. [Dipartimento di Elettronica Politecnico di Torino (Italy)

    2007-10-15

    Since the release of the ITER ICRH system reference design report [ITER Final Design Report: DDD 5.1 -Ion Cyclotron and Current Drive System, July 2001], further design studies have been conducted. If the base of the reference design [Final Report on EFDA contract 04/1129, ITER ICRF antenna and Matching system design (Internalmatching), April 2005] is kept unchanged, several significant modifications have been proposed for a better efficiency and reliability. The increase of the poloidal order of the array and strong modifications of the matching system concept are the main changes. Technical aspects insufficiently covered in previous studies are also now worked out in detail, like the integration on a mid-plane port satisfying the constraints of the ITER environment.

  3. A possible mechanism in heavy ion induced reactions: 'fast fission process'

    International Nuclear Information System (INIS)

    Borderie, B.; Gardes, D.; Berlanger, M.

    1980-01-01

    The influence of the orbital angular momentum l on the mass distribution of fission fragments is studied, both on previously available data on heavy ion induced fission and in new specifically planned experiments: systems 40 Ar + 165 Ho and 24 Mg + 181 Ta at bombarding energies ranging from 180 up to 391 MeV and leading to the same fissionning nucleus 205 At wigh different l distributions. When l values corresponding to a vanished fission barrier are reached, the mass distribution broadens. This suggest the existence of a specific process, 'fast fission', at l-values leading to compound nucleus formation and deep inelastic collisions, respectively. This process and its conditions of occurrence are discussed; of special interest are the correlated differences between the limitations to the fission cross-section and the fission mass distributions broadenings, respectively, for the Ar + Ho and Mg + Ta systems

  4. Microstructure and mechanical properties of FeCrAl alloys under heavy ion irradiations

    Science.gov (United States)

    Aydogan, E.; Weaver, J. S.; Maloy, S. A.; El-Atwani, O.; Wang, Y. Q.; Mara, N. A.

    2018-05-01

    FeCrAl ferritic alloys are excellent cladding candidates for accident tolerant fuel systems due to their high resistance to oxidation as a result of formation of a protective Al2O3 scale at high temperatures in steam. In this study, we report the irradiation response of the 10Cr and 13Cr FeCrAl cladding tubes under Fe2+ ion irradiation up to ∼16 dpa at 300 °C. Dislocation loop size, density and characteristics were determined using both two-beam bright field transmission electron microscopy and on-zone scanning transmission electron microscopy techniques. 10Cr (C06M2) tube has a lower dislocation density, larger grain size and a slightly weaker texture compared to the 13Cr (C36M3) tube before irradiation. After irradiation to 0.7 dpa and 16 dpa, the fraction of type sessile dislocations decreases with increasing Cr amount in the alloys. It has been found that there is neither void formation nor α‧ precipitation as a result of ion irradiations in either alloy. Therefore, dislocation loops were determined to be the only irradiation induced defects contributing to the hardening. Nanoindentation testing before the irradiation revealed that the average nanohardness of the C36M3 tube is higher than that of the C06M2 tube. The average nanohardness of irradiated tube samples saturated at 1.6-2.0 GPa hardening for both tubes between ∼3.4 dpa and ∼16 dpa. The hardening calculated based on transmission electron microscopy was found to be consistent with nanohardness measurements.

  5. Study of elementary transfer mechanisms during a collision between a swift multi-charged heavy ion and a neutral atom

    International Nuclear Information System (INIS)

    Jardin, P.

    1995-01-01

    This work is dedicated to the study of the energy transfer mechanisms which occur during a collision between a swift multicharged heavy ion and a neutral atom. The elementary energy energy transfer mechanisms (scattering, excitation, ionization, capture) and their consequences on the target velocity after the collision (recoil velocity) are recalled in the first chapter. In the case of small projectile diffusion angles, we show that the recoil velocity component, transverse to the incident projectile direction, results principally from the diffusion mechanism, while the longitudinal component is due essentially to the mass transfer and the inelastic energy transfer mechanisms. Since the target recoil velocities are very small, we have built an experimental set-up which reduces the impreciseness on their measurement due to the target thermal spread using, as targets, cooled atoms of a supersonic jet (temperature 44+ (6.7 MeV/A) + Ar => Xe 44 + Ar q+ +qe - (q ranging from 1 to 7); Xe 44+ (6.7 MeV/A) + He => Xe 44+ He 1+,2+ +1e - ,2e - . We show that it is possible to interpret the recoil velocity in terms of kinetic energy transferred to the target and to the electrons ejected from the target. (author)

  6. The Effects of Alkyl Chain Combinations on the Structural and Mechanical Properties of Biomimetic Ion Pair Amphiphile Bilayers

    Directory of Open Access Journals (Sweden)

    Cheng-hao Chen

    2017-10-01

    Full Text Available Ion pair amphiphile (IPA, a lipid-like complex composed of a pair of cationic and anionic surfactants, has great potentials in various pharmaceutical applications. In this work, we utilized molecular dynamics (MD simulation to systematically examine the structural and mechanical properties of the biomimetic bilayers consist of alkyltrimethyl-ammonium-alkylsulfate (CmTMA+-CnS− IPAs with various alkyl chain combinations. Our simulations show an intrinsic one-atom offset for the CmTMA+ and CnS− alignment, leading to the asymmetric index definition of ΔC = m − (n + 1. Larger |ΔC| gives rise to higher conformational fluctuations of the alkyl chains with the reduced packing order and mechanical strength. In contrast, increasing the IPA chain length enhances the van der Waals interactions within the bilayer and thus improves the bilayer packing order and mechanical properties. Further elongating the CmTMA+-CnS− alkyl chains to m and n ≥ 12 causes the liquid disorder to gel phase transition of the bilayer at 298 K, with the threshold membrane properties of 0.45 nm2 molecular area, deuterium order parameter value of 0.31, and effective bending rigidity of 20 kBT, etc. The combined results provide molecular insights into the design of biomimetic IPA bilayers with wide structural and mechanical characteristics for various applications.

  7. The mechanical structure of the WEST Ion Cyclotron Resonant Heating launchers

    Energy Technology Data Exchange (ETDEWEB)

    Vulliez, K., E-mail: karl.vulliez@cea.fr [Laboratoire d’étanchéité, CEA/DEN/DTEC/SDTC, 2 rue James Watt, 26700 Pierrelatte (France); Chen, Z. [Institute of Plasma Physics, CAS, Hefei, Anhui 230031 (China); Ferlay, F. [CEA, IRFM, F-13108 Saint-Paul-Lez-Durance (France); Winkler, K. [Max-Planck Institut für Plasmaphysik, Boltzmannstraße 2, 85748 Garching (Germany); Helou, W.; Hillairet, J.; Mollard, P.; Patterlini, J.C.; Bernard, J.M.; Delaplanche, J.M.; Lombard, G.; Prou, M.; Volpe, R. [CEA, IRFM, F-13108 Saint-Paul-Lez-Durance (France)

    2015-10-15

    Highlights: • The design of a CW ICRH launcher for WEST was achieved. • Major upgrade were made on the launcher to improve performances and reliability. • 3 launchers are about to be built to be operated on WEST in 2015. • Increasing information will decrease quality if hospital costs are very different. • The compete RF and mechanical structure were analyzed by FEM. - Abstract: The WEST ICRH system has to deal with two challenging issues that no other ICRH system before ITER has faced simultaneously so far, i.e. ELMs resilience and Continuous Wave (CW) RF operation. The technical solution chosen to meet the requests imposed by the WEST scenarios is to build three new launchers based on the RF structure successfully tested in short pulses in 2007 on Tore Supra prototype launcher. This paper gives an overview of the mechanical structure of the CW ELMs resilient WEST ICRH launchers. The technical solutions chosen to drive the mechanical design are presented, in regard of the past experience on the 2007 TS prototype, together with the significant work carried out on the mechanical design to improve the launcher structure. The thermal and electro-mechanical analyses conducted and their impact on the launcher design are also presented. These three new CW ELMs resilient ICRH launchers are foreseen to be installed on WEST in 2016, and operational for the first plasmas.

  8. Mechanical properties of UO{sub 2} thin films under heavy ion irradiation using nanoindentation and finite element modeling

    Energy Technology Data Exchange (ETDEWEB)

    Elbakhshwan, Mohamed S., E-mail: elbakhs1@illinois.edu; Miao, Yinbin; Stubbins, James F.; Heuser, Brent J.

    2016-10-15

    The mechanical response of UO{sub 2} to irradiation is becoming increasingly important due to the shift to higher burn-up rates in the next generation of nuclear reactors. In the current study, thin films of UO{sub 2} were deposited on YSZ substrates using reactive-gas magnetron sputtering. Nanoindentation was used to measure the mechanical properties of the as-grown and irradiated films. Finite element modeling was used to account for the substrate effect on the measurements. In order to study the effect of displacement cascades accompanying gas bubbles, 5000 Å UO{sub 2} films were irradiated with 600 keV Kr{sup +} ions at 25 °C and 600 °C. These irradiation conditions were used to confine radiation damage effects and implanted gas within the film. Results showed an increase in the film hardness and yield strength with dose, while elastic modulus initially decreased with irradiation and then kept increasing with dose. The change in hardness and elastic modulus is attributed to the introduction of gas bubbles and displacement cascade damage. Irradiation at 600 °C resulted in a decrease in the hardness and elastic modulus after irradiation using 600 keV Kr{sup +} at a dose of 1E14 ions/cm{sup 2}. Both hardness and elastic modulus then increased with irradiation dose. This behavior is attributed to recrystallization during irradiation at 600 °C and the formation of nanocrystallite regions with diameter and density that increase with dose. The calculation of the critical resolved shear stress (CRSS) demonstrated that nanocrystals are the primary cause for film hardening based on the Orowan hardening mechanism.

  9. Selective adsorption of Pb (II) over the zinc-based MOFs in aqueous solution-kinetics, isotherms, and the ion exchange mechanism.

    Science.gov (United States)

    Wang, Lei; Zhao, Xinhua; Zhang, Jinmiao; Xiong, Zhenhu

    2017-06-01

    Two series of metal-organic frameworks (MOFs) with similar formula units but different central metal ions (M) or organic linkers (L), M-BDC (BDC = terephthalate, M = Zn, Zr, Cr, or Fe), or Zn-L (L = imidazolate-2-methyl, BDC, BDC-NH 2 ), were prepared and employed as the receptors for adsorption lead ions. It was found that the Zn-BDC exhibited a much higher adsorption capacity than the other M-BDC series with various metal ions which have very closely low capacities at same conditions. Furthermore, the Zn-L (L = imidazolate-2-methyl, BDC, BDC-NH 2 ) still have highly efficient adsorption capacity of lead ions, although the adsorption capacity varies with different ligand, as well as the adsorption rate and the equilibrium pH of the solution. This significant high adsorption over Zn-L, different from other M-BDC series with various metal ions (Zr, Cr, or Fe), can be explained by ion exchange between the central metal ions of Zn-L and lead ion in solution. Based on the analysis of FT-IR, X-ray diffraction pattern, the nitrogen adsorption isotherms, the zeta potentials, and the results, a plausible adsorption mechanism is proposed. When equivalent Zn-L were added to equal volume of aqueous solution with different concentration of lead ion, the content of zinc ion in the solution increases with the increase of the initial concentration of lead ions. The new findings could provide a potential way to fabricate new metal organic frameworks with high and selective capacities of the heavy metal ions.

  10. Chloride Ion Transport by the E. coli CLC Cl–/H+ Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical Study

    Science.gov (United States)

    Wang, Chun-Hung; Duster, Adam W.; Aydintug, Baris O.; Zarecki, MacKenzie G.; Lin, Hai

    2018-03-01

    We performed steered molecular dynamics (SMD) and umbrella sampling simulations of Cl– ion migration through the transmembrane domain of a prototypical E. coli CLC Cl–/H+ antiporter employing combined quantum-mechanical (QM) and molecular-mechanical (MM) calculations. The SMD simulations revealed interesting conformational changes of the protein. While no large-amplitude motions of the protein were observed during pore opening, the side chain rotation of the protonated external gating residue Glu148 was found critical to full access of the channel entrance by Cl–. Moving the anion into the external binding site (Sext) induced small-amplitude shifting of the protein backbone at the N-terminal end of helix F. As Cl– travelled through the pore, rigid-body swinging motions of helix R separated it from helix D. Helix R returned to its original position once Cl– exited the channel. Population analysis based on polarized wavefunction from QM/MM calculations discovered significant (up to 20%) charge loss for Cl– along the ion translocation pathway inside the pore. The delocalized charge was redistributed onto the pore residues, especially the functional groups containing pi bonds (e.g. the Tyr445 side chain), while the charges of the H atoms coordinating Cl– changed almost negligibly. Potentials of mean force computed from umbrella sampling at the QM/MM and MM levels both displayed barriers at the same locations near the pore entrance and exit. However, the QM/MM PMF showed higher barriers ( 10 kcal/mol) than the MM PMF ( 2 kcal/mol). Binding energy calculations indicated that the interactions between Cl– and certain pore residues were overestimated by the semi-empirical PM3 Hamiltonian and underestimated by the CHARMM36 force fields, both of which were employed in the umbrella sampling simulations. In particular, CHARMM36 underestimated binding interactions for the functional groups containing pi bonds, missing the stabilizations of the Cl– ion due to

  11. Chloride Ion Transport by the E. coli CLC Cl−/H+ Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical Study

    Directory of Open Access Journals (Sweden)

    Chun-Hung Wang

    2018-03-01

    Full Text Available We performed steered molecular dynamics (SMD and umbrella sampling simulations of Cl− ion migration through the transmembrane domain of a prototypical E. coli CLC Cl−/H+ antiporter by employing combined quantum-mechanical (QM and molecular-mechanical (MM calculations. The SMD simulations revealed interesting conformational changes of the protein. While no large-amplitude motions of the protein were observed during pore opening, the side chain rotation of the protonated external gating residue Glu148 was found to be critical for full access of the channel entrance by Cl−. Moving the anion into the external binding site (Sext induced small-amplitude shifting of the protein backbone at the N-terminal end of helix F. As Cl− traveled through the pore, rigid-body swinging motions of helix R separated it from helix D. Helix R returned to its original position once Cl− exited the channel. Population analysis based on polarized wavefunction from QM/MM calculations discovered significant (up to 20% charge loss for Cl− along the ion translocation pathway inside the pore. The delocalized charge was redistributed onto the pore residues, especially the functional groups containing π bonds (e.g., the Tyr445 side chain, while the charges of the H atoms coordinating Cl− changed almost negligibly. Potentials of mean force computed from umbrella sampling at the QM/MM and MM levels both displayed barriers at the same locations near the pore entrance and exit. However, the QM/MM PMF showed higher barriers (~10 kcal/mol than the MM PMF (~2 kcal/mol. Binding energy calculations indicated that the interactions between Cl− and certain pore residues were overestimated by the semi-empirical PM3 Hamiltonian and underestimated by the CHARMM36 force fields, both of which were employed in the umbrella sampling simulations. In particular, CHARMM36 underestimated binding interactions for the functional groups containing π bonds, missing the stabilizations of

  12. Chloride Ion Transport by the E. coli CLC Cl-/H+ Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical Study.

    Science.gov (United States)

    Wang, Chun-Hung; Duster, Adam W; Aydintug, Baris O; Zarecki, MacKenzie G; Lin, Hai

    2018-01-01

    We performed steered molecular dynamics (SMD) and umbrella sampling simulations of Cl - ion migration through the transmembrane domain of a prototypical E. coli CLC Cl - /H + antiporter by employing combined quantum-mechanical (QM) and molecular-mechanical (MM) calculations. The SMD simulations revealed interesting conformational changes of the protein. While no large-amplitude motions of the protein were observed during pore opening, the side chain rotation of the protonated external gating residue Glu148 was found to be critical for full access of the channel entrance by Cl - . Moving the anion into the external binding site (S ext ) induced small-amplitude shifting of the protein backbone at the N-terminal end of helix F. As Cl - traveled through the pore, rigid-body swinging motions of helix R separated it from helix D. Helix R returned to its original position once Cl - exited the channel. Population analysis based on polarized wavefunction from QM/MM calculations discovered significant (up to 20%) charge loss for Cl - along the ion translocation pathway inside the pore. The delocalized charge was redistributed onto the pore residues, especially the functional groups containing π bonds (e.g., the Tyr445 side chain), while the charges of the H atoms coordinating Cl - changed almost negligibly. Potentials of mean force computed from umbrella sampling at the QM/MM and MM levels both displayed barriers at the same locations near the pore entrance and exit. However, the QM/MM PMF showed higher barriers (~10 kcal/mol) than the MM PMF (~2 kcal/mol). Binding energy calculations indicated that the interactions between Cl - and certain pore residues were overestimated by the semi-empirical PM3 Hamiltonian and underestimated by the CHARMM36 force fields, both of which were employed in the umbrella sampling simulations. In particular, CHARMM36 underestimated binding interactions for the functional groups containing π bonds, missing the stabilizations of the Cl - ion due

  13. Chloride Ion Transport by the E. coli CLC Cl−/H+ Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical Study

    Science.gov (United States)

    Wang, Chun-Hung; Duster, Adam W.; Aydintug, Baris O.; Zarecki, MacKenzie G.; Lin, Hai

    2018-01-01

    We performed steered molecular dynamics (SMD) and umbrella sampling simulations of Cl− ion migration through the transmembrane domain of a prototypical E. coli CLC Cl−/H+ antiporter by employing combined quantum-mechanical (QM) and molecular-mechanical (MM) calculations. The SMD simulations revealed interesting conformational changes of the protein. While no large-amplitude motions of the protein were observed during pore opening, the side chain rotation of the protonated external gating residue Glu148 was found to be critical for full access of the channel entrance by Cl−. Moving the anion into the external binding site (Sext) induced small-amplitude shifting of the protein backbone at the N-terminal end of helix F. As Cl− traveled through the pore, rigid-body swinging motions of helix R separated it from helix D. Helix R returned to its original position once Cl− exited the channel. Population analysis based on polarized wavefunction from QM/MM calculations discovered significant (up to 20%) charge loss for Cl− along the ion translocation pathway inside the pore. The delocalized charge was redistributed onto the pore residues, especially the functional groups containing π bonds (e.g., the Tyr445 side chain), while the charges of the H atoms coordinating Cl− changed almost negligibly. Potentials of mean force computed from umbrella sampling at the QM/MM and MM levels both displayed barriers at the same locations near the pore entrance and exit. However, the QM/MM PMF showed higher barriers (~10 kcal/mol) than the MM PMF (~2 kcal/mol). Binding energy calculations indicated that the interactions between Cl− and certain pore residues were overestimated by the semi-empirical PM3 Hamiltonian and underestimated by the CHARMM36 force fields, both of which were employed in the umbrella sampling simulations. In particular, CHARMM36 underestimated binding interactions for the functional groups containing π bonds, missing the stabilizations of the Cl− ion

  14. Study of the effects of E × B fields as mechanism to carbon-nitrogen plasma immersion ion implantation on stainless steel samples

    Science.gov (United States)

    Pillaca, E. J. D. M.; Ueda, M.; Oliveira, R. M.; Pichon, L.

    2014-08-01

    Effects of E × B fields as mechanism to carbon-nitrogen plasma immersion ion implantation (PIII) have been investigated. This magnetic configuration when used in PIII allows obtaining high nitrogen plasma density close to the ion implantation region. Consequently, high ions dose on the target is possible to be achieved compared with standard PIII. In this scenario, nitrogen and carbon ions were implanted simultaneously on stainless steel, as measured by GDOES and detected by X-ray diffraction. Carbon-tape disposed on the sample-holder was sputtered by intense bombardment of nitrogen ions, being the source of carbon atoms in this experiment. The implantation of both N and C caused changes on sample morphology and improvement of the tribological properties of the stainless steel.

  15. Operating mechanisms of electrolytes in magnesium ion batteries: chemical equilibrium, magnesium deposition, and electrolyte oxidation.

    Science.gov (United States)

    Kim, Dong Young; Lim, Younhee; Roy, Basab; Ryu, Young-Gyoon; Lee, Seok-Soo

    2014-12-21

    Since the early nineties there have been a number of reports on the experimental development of Mg electrolytes based on organo/amide-magnesium chlorides and their transmetalations. However, there are no theoretical papers describing the underlying operating mechanisms of Mg electrolytes, and there is no clear understanding of these mechanisms. We have therefore attempted to clarify the operating mechanisms of Mg electrolytes by studying the characteristics of Mg complexes, solvation, chemical equilibrium, Mg-deposition processes, electrolyte-oxidation processes, and oxidative degradation mechanism of RMgCl-based electrolytes, using ab initio calculations. The formation and solvation energies of Mg complexes highly depend on the characteristics of R groups. Thus, changes in R groups of RMgCl lead to changes in the equilibrium position and the electrochemical reduction and oxidation pathways and energies. We first provide a methodological scheme for calculating Mg reduction potential values in non-aqueous electrolytes and electrochemical windows. We also describe a strategy for designing Mg electrolytes to maximize the electrochemical windows and oxidative stabilities. These results will be useful not only for designing improved Mg electrolytes, but also for developing new electrolytes in the future.

  16. EVIDENCE FOR A COMMON ACCELERATION MECHANISM FOR ENRICHMENTS OF {sup 3}He AND HEAVY IONS IN IMPULSIVE SEP EVENTS

    Energy Technology Data Exchange (ETDEWEB)

    Mason, Glenn M. [Applied Physics Laboratory, Johns Hopkins University, Laurel, MD 20723 (United States); Nitta, Nariaki V. [Lockheed Martin Advanced Technology Center, Dept/A021S, B/252, 3251 Hanover Street, Palo Alto, CA 94304 (United States); Wiedenbeck, Mark E. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Innes, Davina E., E-mail: glenn.mason@jhuapl.edu, E-mail: nitta@lmsal.com, E-mail: mark.e.wiedenbeck@jpl.nasa.gov, E-mail: innes@mps.mpg.de [Max-Planck-Institut für Sonnensystemforschung, D-37077 Göttingen (Germany)

    2016-06-01

    We have surveyed the period 1997–2015 for a rare type of {sup 3}He-rich solar energetic particle (SEP) event, with enormously enhanced values of the S/O ratio, that differs from the majority of {sup 3}He-rich events, which show enhancements of heavy ions increasing smoothly with mass. Sixteen events were found, most of them small but with solar source characteristics similar to other {sup 3}He-rich SEP events. A single event on 2014 May 16 had higher intensities than the others, and curved Si and S spectra that crossed the O spectrum above ∼200 keV nucleon{sup −1}. Such crossings of heavy-ion spectra have never previously been reported. The dual enhancement of Si and S suggests that element Q / M ratio is critical to the enhancement since this pair of elements uniquely has very similar Q / M ratios over a wide range of temperatures. Besides {sup 3}He, Si, and S, in this same event the C, N, and Fe spectra also showed curved shape and enhanced abundances compared to O. The spectral similarities suggest that all have been produced from the same mechanism that enhances {sup 3}He. The enhancements are large only in the high-energy portion of the spectrum, and so affect only a small fraction of the ions. The observations suggest that the accelerated plasma was initially cool (∼0.4 MK) and was then heated to a few million kelvin to generate the preferred Q / M ratio in the range C–Fe. The temperature profile may be the distinct feature of these events that produces the unusual abundance signature.

  17. Selective recovery of Pd(II) from extremely acidic solution using ion-imprinted chitosan fiber: Adsorption performance and mechanisms

    International Nuclear Information System (INIS)

    Lin, Shuo; Wei, Wei; Wu, Xiaohui; Zhou, Tao; Mao, Juan; Yun, Yeoung-Sang

    2015-01-01

    Highlights: • An acid-resisting chitosan fiber was prepared by ion-imprinting technique. • Pd(II) and ECH were as template and two-step crosslinking agent, respectively. • IIF showed a good adsorption and selectivity performance on Pd(II) solutions. • Selectivity was due to the electrostatic attraction between −NH_3"+ and [PdCl_4]"2"−. • Stable sorption/desorption performance shows a potential in further application. - Abstract: A novel, selective and acid-resisting chitosan fiber adsorbent was prepared by the ion-imprinting technique using Pd(II) and epichlorohydrin as the template and two-step crosslinking agent, respectively. The resulting ion-imprinted chitosan fibers (IIF) were used to selectively adsorb Pd(II) under extremely acidic synthetic metal solutions. The adsorption and selectivity performances of IIF including kinetics, isotherms, pH effects, and regeneration were investigated. Pd(II) rapidly adsorbed on the IIF within 100 min, achieving the adsorption equilibrium. The isotherm results showed that the maximum Pd(II) uptake on the IIF was maintained as 324.6–326.4 mg g"−"1 in solutions containing single and multiple metals, whereas the Pd(II) uptake on non-imprinted fibers (NIF) decreased from 313.7 to 235.3 mg g"−"1 in solution containing multiple metals. Higher selectivity coefficients values were obtained from the adsorption on the IIF, indicating a better Pd(II) selectivity. The amine group, supposedly the predominant adsorption site for Pd(II), was confirmed by Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. The pH value played a significant role on the mechanism of the selective adsorption in the extremely acidic conditions. Furthermore, the stabilized performance for three cycles of sorption/desorption shows a potential for further large-scale applications.

  18. Selective recovery of Pd(II) from extremely acidic solution using ion-imprinted chitosan fiber: Adsorption performance and mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Shuo [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Wei, Wei [School of Chemical Engineering, Chonbuk National University, Jeonbuk 561-756 (Korea, Republic of); Wu, Xiaohui; Zhou, Tao [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Mao, Juan, E-mail: monicamao45@hust.edu.cn [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Yun, Yeoung-Sang, E-mail: ysyun@jbnu.ac.kr [School of Chemical Engineering, Chonbuk National University, Jeonbuk 561-756 (Korea, Republic of)

    2015-12-15

    Highlights: • An acid-resisting chitosan fiber was prepared by ion-imprinting technique. • Pd(II) and ECH were as template and two-step crosslinking agent, respectively. • IIF showed a good adsorption and selectivity performance on Pd(II) solutions. • Selectivity was due to the electrostatic attraction between −NH{sub 3}{sup +} and [PdCl{sub 4}]{sup 2−}. • Stable sorption/desorption performance shows a potential in further application. - Abstract: A novel, selective and acid-resisting chitosan fiber adsorbent was prepared by the ion-imprinting technique using Pd(II) and epichlorohydrin as the template and two-step crosslinking agent, respectively. The resulting ion-imprinted chitosan fibers (IIF) were used to selectively adsorb Pd(II) under extremely acidic synthetic metal solutions. The adsorption and selectivity performances of IIF including kinetics, isotherms, pH effects, and regeneration were investigated. Pd(II) rapidly adsorbed on the IIF within 100 min, achieving the adsorption equilibrium. The isotherm results showed that the maximum Pd(II) uptake on the IIF was maintained as 324.6–326.4 mg g{sup −1} in solutions containing single and multiple metals, whereas the Pd(II) uptake on non-imprinted fibers (NIF) decreased from 313.7 to 235.3 mg g{sup −1} in solution containing multiple metals. Higher selectivity coefficients values were obtained from the adsorption on the IIF, indicating a better Pd(II) selectivity. The amine group, supposedly the predominant adsorption site for Pd(II), was confirmed by Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. The pH value played a significant role on the mechanism of the selective adsorption in the extremely acidic conditions. Furthermore, the stabilized performance for three cycles of sorption/desorption shows a potential for further large-scale applications.

  19. Structure and micro-mechanical properties of helium-implanted layer on Ti by plasma-based ion implantation

    International Nuclear Information System (INIS)

    Ma Xinxin; Li Jinlong; Sun Mingren

    2008-01-01

    The present paper concentrates on structure and micro-mechanical properties of the helium-implanted layer on titanium treated by plasma-based ion implantation with a pulsed voltage of -30 kV and doses of 3, 6, 9 and 12 x 10 17 ions/cm 2 , respectively. X-ray photoelectron spectroscopy and transmission electron microscopy are employed to characterize the structure of the implanted layer. The hardnesses at different depths of the layer were measured by nano-indentation. We found that helium ion implantation into titanium leads to the formation of bubbles with a diameter from a few to more than 10 nm and the bubble size increases with the increase of dose. The primary existing form of Ti is amorphous in the implanted layer. Helium implantation also enhances the ingress of O, C and N and stimulates the formations of TiO 2 , Ti 2 O 3 , TiO, TiC and TiN in the near surface layer. And the amount of the ingressed oxygen is obviously higher than those of nitrogen and carbon due to its higher activity. At the near surface layer, the hardnesses of all implanted samples increases remarkably comparing with untreated one and the maximum hardness has an increase by a factor of up to 3.7. For the samples implanted with higher doses of 6, 9 and 12 x 10 17 He/cm 2 , the local displacement bursts are clearly found in the load-displacement curves. For the samples implanted with a lower dose of 3 x 10 17 He/cm 2 , there is no obvious displacement burst found. Furthermore, the burst width increases with the increase of the dose

  20. Thermo-mechanical properties of mixed ion-electron conducting membrane materials

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Bingxin

    2011-07-01

    The thesis presents thermo-mechanical properties of La{sub 0.58}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3-{delta}} (LSCF) and Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}} (BSCF) perovskite materials, which are considered as oxygen transport membranes (OTM) for gas separation units. Ring-on-ring bending test with disk-shaped samples and depth-sensitive micro-indentation have been used as macroscopic and microscopic tests, respectively. In addition, the thermo-mechanical properties of a third OTM candidate material La{sub 2}NiO{sub 4+{delta}} (LNO) were investigated. The results of the thermo-mechanical measurements with the BSCF revealed an anomaly between 200 C and 400 C. In particular, the temperature dependence of Young's modulus shows a minimum at {proportional_to} 200 C. Fracture stress and toughness exhibit a qualitatively similar behavior with a minimum between 200 C and 400 C, before recovering between 500 C and 800 C. X-ray diffraction analyses verified that BSCF remains cubic in the relevant temperature range. Hence the anomalies were assumed to be related to the transition of Co{sup 3+} spin states reported for other Co-containing perovskites. This assumption could be experimentally confirmed by magnetic susceptibility measurements. The fracture surfaces of the specimens are not affected by the mechanical anomalies at intermediate temperatures, since only a transgranular fracture mode has been observed. Complementary to the mechanical characterization of BSCF, also the temperature dependency of fracture stress and elastic behavior of LSCF have been determined. Phase compositions of LSCF have been studied by in-situ high temperature XRD. Changes in phase composition with temperature are observed. At ambient temperature the LSCF perovskite material comprises two phases: rhombohedral and cubic symmetry. The ratio of the two phases depends on both cooling rate and atmosphere. The transition of rhombohedral to cubic occurs between 700 C and

  1. Some aspects of surfactant action mechanism in the organic reagents - metal ions systems

    Energy Technology Data Exchange (ETDEWEB)

    Chernova, R K; Shtykov, S N; Beloliptseva, G M; Sukhova, L K; Amelin, V G; Kulapina, E G [Saratovskij Gosudarstvennyj Univ. (USSR)

    1984-06-01

    Results are reviewed of investigations into the interaction of ions of Mo(6), W, Zr, Be, Sc, Nb, Ta, J, rare earths, a. o. with organic reagents of triphenylmethane class in the 8M H/sub 2/SO/sub 4/-pH14 acidity range and the 1x10/sup -3/-5x10/sup -6/ M concentration range both in the presence and absence of different surfactant type (cetylpyridine, methyltrimethylammonium, synthanols, etc). Three types of effects, determining enhancement of the sensitivity and selectivity of reactions jn the Me-R-surfactant systems, were determined: an increase in the number of coordinated ligands, the activating effect of cation surfactants resulting in a potential complexing in acid media, multicenter interaction of polydentate ligands both via chelating groups and auxochrome groups in the presence of cation surfactants. Protolytic and flotation properties of ionic associates are considered. The observed effects are explained from the viewpoint of electrostatic and hydrophobic interactions in the R-surfactant systems, observed by the methods of NMR, polarography amperometry, conductometry. A possible use of the investigated M-R-surfactant systems as complexonometric indicators was evaluated. A possibility was shown of using them for direct titrimetric determination of hundredth milligram portions of Cu, Ga, In and Sc at a titrant concentratjon of less than 0.01 M. It follows from the estimation of basic optical parameters of the Me-R-surfactant systems that detection.

  2. Some aspects of surfactant action mechanism in the organic reagents - metal ions systems

    International Nuclear Information System (INIS)

    Chernova, R.K.; Shtykov, S.N.; Beloliptseva, G.M.; Sukhova, L.K.; Amelin, V.G.; Kulapina, E.G.

    1984-01-01

    Results are reviewed of investigations into the interaction of ions of Mo(6), W, Zr, Be, Sc, Nb, Ta, J, rare earths, a. o. with organic reagents of triphenylmethane class in the 8M H 2 SO 4 -pH14 acidity range and the 1x10 -3 -5x10 -6 M concentration range both in the presence and absence of different surfactant type (cetylpyridine, methyltrimethylammonium, synthanols, etc). Three types of effects, determining enhancement of the sensitivity and selectivity of reactions jn the Me-R-surfactant systems, were determined: an increase in the number of coordinated ligands, the activating effect of cation surfactants resulting in a potential complexing in acid media, multicenter interaction of polydentate ligands both via chelating groups and auxochrome groups in the presence of cation surfactants. Protolytic and flotation properties of ionic associates are considered. The observed effects are explained from the viewpoint of electrostatic and hydrophobic interactions in the R-surfactant systems, observed by the methods of NMR, polarography amperometry, conductometry. A possible use of the investigated M-R-surfactant systems as complexonometric indicators was evaluated. A possibility was shown of using them for direct titrimetric determination of hundredth milligram portions of Cu, Ga, In and Sc at a titrant concentratjon of less than 0.01 M. It follows from the estimation of basic optical parameters of the Me-R-surfactant systems that detection

  3. Non-equilibrium statistical mechanical approach for describing heavy ion reactions

    International Nuclear Information System (INIS)

    Sventek, J.S.

    1979-01-01

    With the availability of heavy-ion projectiles (A > 4) at low to intermediate energies (4 < E/A < 10), products showing various stages of relaxation for certain macroscopic variables (center-of-mass energy, orbital angular momentum, etc.) were produced in various reactions. The distributions for these macroscopic variables showed a correlation between the stage of relaxation reached and the net amount of mass transfer which had occurred in the reaction. There was also evidence that there was an asymmetry in the number of net transfers necessary for complete relaxation between stripping ad pickup reactions. A model for describing the time-evolution of these reactions has been formulated, the keystone of which is a master-equation approach for describing the time-dependence of the mass-asymmetry. This, coupled with deterministic equations of motion for the other macroscopic coordinates in the reaction lead to calculated distributions which provide an excellent qualitative description of these reactions, and, in some cases, quantitatively reproduce the experimental data quite well

  4. Model of the recrystallization mechanism of amorphous silicon layers created by ion implantation

    International Nuclear Information System (INIS)

    Drosd, R.M.

    1979-11-01

    The recrystallization behavior during annealing of thin films of amorphous (α) silicon, in contact with a single crystal silicon substrate (referred to as C), has been studied in the transmission electron microscope (TEM). The amorphous film is created during high dose phosphorus ion implantation at 100 keV. It was found that the crystal substrate orientation and the implantation temperature have dramatic effects on the recrystallizaton rate, and the defect microstructure produced during annealing. Specifically, (100) wafers implanted at 77 0 K contain only a low density of dislocation loops, but when the same wafer is implanted at room temperature the dislocation density is increased drastically. (111) wafers, when implanted at 77 0 K show a high density of microtwins, but as the implantation temperature is increased a gradual increase in the density of dislocation loops is observed along with a reduction of the microtwins. At an implantation temperature of about 100 0 C both orientations give an identical defect microstructure when annealed, which is a dense tangle of dislocations

  5. Deuterium ion irradiation damage and deuterium trapping mechanism in candidate stainless steel material (JPCA2) for fusion reactor

    International Nuclear Information System (INIS)

    Ashizuka, Norihiro; Kurita, Takaaki; Yoshida, Naoaki; Fujiwara, Tadashi; Muroga, Takeo

    1987-01-01

    An improved austenitic stainless steel (JPCA), a candidate material for fusion reactor, is irradiated at room temperature with deuterium ion beams. Desorption spectra of deuterium gas is measured at various increased temperatures and defects formed under irradiation are observed by transmission electron microscopy to determine the mechanism of the thermal release of deuteriums and the characteristics of irradiation-induced defects involved in the process. In the deuterium deportion spectra observed, five release stages are found to exist at 90 deg C, 160 deg C, 220 deg C, 300 deg C and 400 deg C, referred to as Stage I, II, III, IV and V, respectively. Stage I is interpreted as representing the release of deuteriums trapped in point defects (presumably vacancies) formed under irradiation. The energy of desorption from the trapping sites is estimated at 0.8 eV. Stage II is concluded to be associated with the release of deuteriums trapped in a certain kind of existing defects. Stage III involves the release of deuteriums that are trapped in dislocations, dislocation loops or dislocated portions of stacking fault tetrahedra. This release occurs significantly in processed materials and other materials irradiated with high energy ion beams that may cause cascade damage. Stage IV is interpreted in terms of thermal decomposition of small deuterium clusters. Stage V is associated with the decomposition of rather large deuterium clusters grown on the {111} plane. (Nogami, K.)

  6. Fundamental degradation mechanisms of layered oxide Li-ion battery cathode materials: Methodology, insights and novel approaches

    International Nuclear Information System (INIS)

    Hausbrand, R.; Cherkashinin, G.; Ehrenberg, H.; Gröting, M.; Albe, K.; Hess, C.; Jaegermann, W.

    2015-01-01

    Graphical abstract: - Highlights: • Description of recent in operando and in situ analysis methodology. • Surface science approach using photoemission for analysis of cathode surfaces and interfaces. • Ageing and fatigue of layered oxide Li-ion battery cathode materials from the atomistic point of view. • Defect formation and electronic structure evolution as causes for cathode degradation. • Significance of interfacial energy alignment and contact potential for side reactions. - Abstract: This overview addresses the atomistic aspects of degradation of layered LiMO 2 (M = Ni, Co, Mn) oxide Li-ion battery cathode materials, aiming to shed light on the fundamental degradation mechanisms especially inside active cathode materials and at their interfaces. It includes recent results obtained by novel in situ/in operando diffraction methods, modelling, and quasi in situ surface science analysis. Degradation of the active cathode material occurs upon overcharge, resulting from a positive potential shift of the anode. Oxygen loss and eventual phase transformation resulting in dead regions are ascribed to changes in electronic structure and defect formation. The anode potential shift results from loss of free lithium due to side reactions occurring at electrode/electrolyte interfaces. Such side reactions are caused by electron transfer, and depend on the electron energy level alignment at the interface. Side reactions at electrode/electrolyte interfaces and capacity fade may be overcome by the use of suitable solid-state electrolytes and Li-containing anodes

  7. Mechanism of conductivity type conversion in p-Hg1-xCdxTe crystals under low energy ion bombardment

    International Nuclear Information System (INIS)

    Bogoboyashchij, V.V.; Izhnin, I.I.

    2000-01-01

    Conditions giving rise to accelerated diffusion of Hg under bombardment of p-Hg 1-x Cd x Te by low-energy particles are analyzed and probable mechanisms of the phenomenon are suggested, permitting qualitative and quantitative agreement with experimental data. Analysis indicates that basic regularities of p-n-conversion during Hg 0.8 Cd 0.2 Te crystal bombardment by neutralized ions can be easily explained in the framework of traditional notions of mercury chemical diffusion in this material. The regularities stem from specific features of defect formation in Hg 0.8 Cd 0.2 Te, on the one hand, and from a high concentration of intrinsic electrons and holes, screening effectively the defective layer electric field, on the other hand. The high rate of conversion during ion bombardment compared with the rate of conversion during annealing in mercury vapors can be explained by the fact that a great number of nonequilibrium interstitial atoms of mercury, by far exceeding the value during thermal annealing, is crated near the surface of the crystal bombarded [ru

  8. Mechanism of the entire overdischarge process and overdischarge-induced internal short circuit in lithium-ion batteries.

    Science.gov (United States)

    Guo, Rui; Lu, Languang; Ouyang, Minggao; Feng, Xuning

    2016-07-22

    Lithium-ion batteries connected in series are prone to be overdischarged. Overdischarge results in various side effects, such as capacity degradation and internal short circuit (ISCr). However, most of previous research on the overdischarge of a cell was terminated when the cell voltage dropped to 0 V, leaving the further impacts of overdischarge unclear. This paper investigates the entire overdischarge process of large-format lithium-ion batteries by discharging the cell to -100% state of charge (SOC). A significant voltage platform is observed at approximately -12% SOC, and ISCr is detected after the cell is overdischarged when passing the platform. The scanning electron microscopy (SEM) and X-ray diffraction (XRD) results indicate that the overdischarge-induced ISCr is caused by Cu deposition on electrodes, suggesting possible Cu collector dissolution at the voltage platform near -12% SOC. A prognostic/mechanistic model considering ISCr is used to evaluate the resistance of ISCr (RISCr), the value of which decreases sharply at the beginning of ISCr formation. Inducing the ISCr by overdischarge is effective and well controlled without any mechanical deformation or the use of a foreign substance.

  9. Molecular mechanisms of Cys-loop ion channel receptor modulation by ivermectin

    DEFF Research Database (Denmark)

    Lynagh, Timothy; Lynch, Joseph W.

    2012-01-01

    Ivermectin is an anthelmintic drug that works by inhibiting neuronal activity and muscular contractility in arthropods and nematodes. It works by activating glutamate-gated chloride channels (GluClRs) at nanomolar concentrations. These receptors, found exclusively in invertebrates, belong to the ...... to the neurotransmitter binding site, thus suggesting a mechanism by which ivermectin potentiates neurotransmitter-gated currents. Together, this information provides new insights into the mechanisms of action of this important drug.......) to its site. Several lines of evidence suggest that ivermectin opens the channel pore via a structural change distinct from that induced by the neurotransmitter agonist. Conformational changes occurring at locations distant from the pore can be probed using voltage-clamp fluorometry (VCF), a technique...

  10. Arrays of suspended silicon nanowires defined by ion beam implantation: mechanical coupling and combination with CMOS technology

    Science.gov (United States)

    Llobet, J.; Rius, G.; Chuquitarqui, A.; Borrisé, X.; Koops, R.; van Veghel, M.; Perez-Murano, F.

    2018-04-01

    We present the fabrication, operation, and CMOS integration of arrays of suspended silicon nanowires (SiNWs). The functional structures are obtained by a top-down fabrication approach consisting in a resistless process based on focused ion beam irradiation, causing local gallium implantation and silicon amorphization, plus selective silicon etching by tetramethylammonium hydroxide, and a thermal annealing process in a boron rich atmosphere. The last step enables the electrical functionality of the irradiated material. Doubly clamped silicon beams are fabricated by this method. The electrical readout of their mechanical response can be addressed by a frequency down-mixing detection technique thanks to an enhanced piezoresistive transduction mechanism. Three specific aspects are discussed: (i) the engineering of mechanically coupled SiNWs, by making use of the nanometer scale overhang that it is inherently-generated with this fabrication process, (ii) the statistical distribution of patterned lateral dimensions when fabricating large arrays of identical devices, and (iii) the compatibility of the patterning methodology with CMOS circuits. Our results suggest that the application of this method to the integration of large arrays of suspended SiNWs with CMOS circuitry is interesting in view of applications such as advanced radio frequency band pass filters and ultra-high-sensitivity mass sensors.

  11. Phase Transformation Mechanism of Li-Ion Storage in Iron(III) Hydroxide Phosphates

    DEFF Research Database (Denmark)

    Henriksen, Christian; Wegeberg, Christina; Ravnsbæk, Dorthe B.

    2018-01-01

    transformation mechanism of selected materials is investigated through synchrotron radiation powder X-ray diffraction collected during galvanostatic discharge-charge cycling. This confirms a complete solid solution transformation both during Li-insertion (discharge) and -extraction (charge), but also reveals...... a highly anisotropic evolution in lattice dimensions, which is linked to an irreversible reaction step and the high vacancy concentration in Fe2-y(PO4)(OH)3-3y(H2O)3y-2....

  12. On anodic stability and decomposition mechanism of sulfolane in high-voltage lithium ion battery

    International Nuclear Information System (INIS)

    Xing, Lidan; Tu, Wenqiang; Vatamanu, Jenel; Liu, Qifeng; Huang, Wenna; Wang, Yating; Zhou, Hebing; Zeng, Ronghua; Li, Weishan

    2014-01-01

    Graphical abstract: - Highlights: • Influence of lithium salts on the anodic stability of sulfolane has been investigated. • Oxidation decomposition mechanisms of LiPF 6 /Sulfolane electrolyte have been well understood by theoretical and experimental methods. • Decomposition products of the electrolyte can be found on the electrode surface and in the interfacial electrolyte. - Abstract: In this work, we investigated the anodic stability and decomposition mechanism of sulfolane (SL). The anodic stability of SL-based electrolyte with different lithium salts on Pt and LiNi 0.5 Mn 1.5 O 4 electrodes was found to decrease as follows: LiPF 6 /SL > LiBF 4 /SL > LiClO 4 /SL. The oxidation potential of 1M LiPF 6 /SL electrolyte on both Pt and electrodes is about 5.0V vs Li/Li + . The presence of PF 6 - and another SL solvent dramatically alters the decomposition mechanism of SL. Oxidation decomposition of SL-SL cluster is the most favorable reaction in LiPF 6 /SL electrolyte. The dimer products with S-O-R group were detected by IR spectra on the charged LiNi 0.5 Mn 1.5 O 4 electrode surface and in the electrolyte near the electrode surface, and were found to increase the interfacial reaction resistance of the LiNi 0.5 Mn 1.5 O 4 electrode

  13. Probing the failure mechanism of nanoscale LiFePO{sub 4} for Li-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Meng; Yan, Pengfei; Wang, Chongmin, E-mail: chongmin.wang@pnnl.gov [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Shi, Wei [Energy and Environmental Directorate, Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352 (United States); National Active Distribution Network Technology Research Center, School of Electrical Engineering, Beijing Jiaotong University, 3 Shangyuancun Street, Haidian District, Beijing 100044 (China); Zheng, Jianming; Zhang, Ji-guang [Energy and Environmental Directorate, Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352 (United States)

    2015-05-18

    LiFePO{sub 4} is a high power rate cathode material for lithium ion battery and shows remarkable capacity retention, featuring a 91% capacity retention after 3300 cycles. In this work, we use high-resolution transmission electron microscopy and electron energy loss spectroscopy to study the gradual capacity fading mechanism of LiFePO{sub 4} materials. We found that upon prolonged electrochemical cycling of the battery, the LiFePO{sub 4} cathode shows surface amorphization and loss of oxygen species, which directly contribute to the gradual capacity fading of the battery. The finding can guide the design and improvement of LiFePO{sub 4} cathode for high-energy and high-power rechargeable battery for electric transportation.

  14. Mechanisms of hydrogen retention in metallic beryllium and beryllium oxide and properties of ion-induced beryllium nitride

    International Nuclear Information System (INIS)

    Oberkofler, Martin

    2011-01-01

    In the framework of this thesis laboratory experiments on atomically clean beryllium surfaces were performed. They aim at a basic understanding of the mechanisms occurring upon interaction of a fusion plasma with a beryllium first wall. The retention and the temperature dependent release of implanted deuterium ions are investigated. An atomistic description is developed through simulations and through the comparison with calculations based on density functional theory. The results of these investigations are compared to the behaviour of hydrogen upon implantation into thermally grown beryllium oxide layers. Furthermore, beryllium nitride is produced by implantation of nitrogen into metallic beryllium and its properties are investigated. The results are interpreted with regard to the use of beryllium in a fusion reactor. (orig.)

  15. Modeling of the interaction between chemical and mechanical behavior of ion exchange resins encapsulated into a cement-based matrix

    International Nuclear Information System (INIS)

    Neji, Mejdi

    2014-01-01

    Ion exchange resins (IER) are widely used in the nuclear industry to purge non directly storable infected effluents. IER then become a solid waste which could be stored as any classical nuclear waste. One way of conditioning consists in embedding it into a cement paste matrix. This process raises some concerns regarding the cohesiveness of the composite. Once embedded, the IER might indeed interact with the cement paste which would lead, in some cases, to the swelling of the composite. This thesis has been set up to address this potential issue, with the aim to develop a numerical tool able to predict the mechanical behavior of this kind of material. This work only focuses on the long term behavior and more specifically on the potential degradations of the cement paste/IER composite due to cationic IER. (author)

  16. Quantification of uncertainty in first-principles predicted mechanical properties of solids: Application to solid ion conductors

    Science.gov (United States)

    Ahmad, Zeeshan; Viswanathan, Venkatasubramanian

    2016-08-01

    Computationally-guided material discovery is being increasingly employed using a descriptor-based screening through the calculation of a few properties of interest. A precise understanding of the uncertainty associated with first-principles density functional theory calculated property values is important for the success of descriptor-based screening. The Bayesian error estimation approach has been built in to several recently developed exchange-correlation functionals, which allows an estimate of the uncertainty associated with properties related to the ground state energy, for example, adsorption energies. Here, we propose a robust and computationally efficient method for quantifying uncertainty in mechanical properties, which depend on the derivatives of the energy. The procedure involves calculating energies around the equilibrium cell volume with different strains and fitting the obtained energies to the corresponding energy-strain relationship. At each strain, we use instead of a single energy, an ensemble of energies, giving us an ensemble of fits and thereby, an ensemble of mechanical properties associated with each fit, whose spread can be used to quantify its uncertainty. The generation of ensemble of energies is only a post-processing step involving a perturbation of parameters of the exchange-correlation functional and solving for the energy non-self-consistently. The proposed method is computationally efficient and provides a more robust uncertainty estimate compared to the approach of self-consistent calculations employing several different exchange-correlation functionals. We demonstrate the method by calculating the uncertainty bounds for several materials belonging to different classes and having different structures using the developed method. We show that the calculated uncertainty bounds the property values obtained using three different GGA functionals: PBE, PBEsol, and RPBE. Finally, we apply the approach to calculate the uncertainty

  17. Metaldehyde removal from aqueous solution by adsorption and ion exchange mechanisms onto activated carbon and polymeric sorbents

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Bing [Chemical and Process Engineering, Faculty of Engineering, University of Strathclyde, Glasgow G1 1XW (United Kingdom); Fletcher, Ashleigh J., E-mail: ashleigh.fletcher@strath.ac.uk [Chemical and Process Engineering, Faculty of Engineering, University of Strathclyde, Glasgow G1 1XW (United Kingdom)

    2013-01-15

    Highlights: ► First detailed analysis and study on metaldehyde removal by physical adsorbents. ► Adsorption performance of current method studied to probe reasons for failure of removal. ► Sorption performances of proposed alternative materials studied and mechanism proposed. ► Mechanism explains full sorption and degradation of metaldehyde. ► Results are of marked significance to the water treatment industries. -- Abstract: Metaldehyde removal from aqueous solution was evaluated using granular activated carbon (GAC), a non-functionalised hyper-cross-linked polymer Macronet (MN200) and an ion-exchange resin (S957) with sulfonic and phosphonic functional groups. Equilibrium experimental data were successfully described by Freundlich isotherm models. The maximum adsorption capacity of S957 (7.5 g metaldehyde/g S957) exceeded those of MN200 and GAC. Thermodynamic studies showed that sorption of metaldehyde onto all sorbents is endothermic and processes are controlled by entropic rather than enthalpic changes. Kinetic experiments demonstrated that experimental data for MN200 and GAC obey pseudo-second order models with rates limited by particle diffusion. Comparatively, S957 was shown to obey a pseudo-first order model with a rate-limiting step of metaldehyde diffusion through the solid/liquid interface. Results obtained suggest that metaldehyde adsorption onto MN200 and GAC are driven by hydrophobic interactions and hydrogen bonding, as leaching tendencies were high since no degradation of metaldehyde occurred. Conversely, adsorption of metaldehyde onto S957 occurs via ion-exchange processes, where sulfonic and phosphonic functionalities degrade adsorbed metaldehyde molecules and failure to detect metaldehyde in leaching studies for S957 supports this theory. Consequently, the high adsorption capacity and absence of leaching indicate S957 is promising for metaldehyde removal from source water.

  18. Mechanical and electrical properties of diamond-like carbon films deposited by plasma source ion implantation

    International Nuclear Information System (INIS)

    Baba, K.; Hatada, R.; Flege, S.; Ensinger, W.

    2009-01-01

    Diamond-like carbon (DLC) films were prepared by a plasma source ion implantation method with superposed negative pulse and negative DC voltage. Acetylene gas was used as working gas for plasma formation. A negative DC voltage and a negative pulse voltage were superposed and applied to the substrate holder. The DC voltage was changed in the range from 0 to -4.8 kV and the pulse voltage was changed from -18 to -13.2 kV. The films were annealed in the range of 200-450 deg. C for 1 h. The surface morphology of the films and the film thickness were observed by atomic force microscopy and scanning electron microscopy. The film structure was characterized by Raman spectroscopy. The hardness of DLC films was evaluated by an indentation method. Measurement of the electrical resistivity was performed using a four-point probe station. Furthermore, a ball-on-disc test with 2 N load was employed to obtain information about the friction properties and sliding wear resistance of the films. The surface of the DLC films was very smooth and featureless. The deposition rate was changed with the DC voltage and pulse conditions. Integrated intensity ratios I D /I G of Raman spectroscopy and electrical resistivity of the DLC films changed with DC voltage. The electrical resistivity decreased with increasing I D /I G ratio. The I D /I G ratio was increased and the electrical resistivity was decreased with annealing temperature owing to graphitization. Very low friction coefficients around 0.05 were obtained for as-deposited films.

  19. Hydroxy double salts loaded with bioactive ions: Synthesis, intercalation mechanisms, and functional performance

    Science.gov (United States)

    Y. A. Kaassis, Abdessamad; Xu, Si-Min; Guan, Shanyue; Evans, David G.; Wei, Min; Williams, Gareth R.

    2016-06-01

    The intercalation of the anions of diclofenac (Dic), naproxen (Nap), and valproic acid (Val) into three hydroxy double salts (HDSs) has been explored in this work. Experiments were performed with [Co1.2Zn3.8(OH)8](NO3)2·2H2O (CoZn-NO3), [Ni2Zn3(OH)8](NO3)2·2H2O (NiZn-NO3) and [Zn5(OH)8](NO3)2·2H2O (Zn-NO3). It proved possible to intercalate diclofenac and naproxen into all three HDSs. In contrast, Val could be intercalated into CoZn-NO3 but when it was reacted with Zn-NO3 the HDS structure was destroyed, and the product comprised ZnO. Successful intercalation was verified by X-ray diffraction, IR spectroscopy, and elemental microanalysis. Molecular dynamics simulations showed the Dic and Nap ions to arrange themselves in an "X" shape in the interlayer space, forming a bilayer. Val was found to adopt a position with its aliphatic groups parallel to the HDS layer, again in a bilayer. In situ time resolved X-ray diffraction experiments revealed that intercalation of Dic and Nap into CoZn-NO3 and Zn-NO3 is mechanistically complex, with a number of intermediate phases observed. In contrast, the intercalation of all three guests into NiZn-NO3 and of Val into CoZn-NO3 are simple one step reactions proceeding directly from the starting material to the product. The HDS-drug composites were found to have sustained release profiles.

  20. Thermal behavior and failure mechanism of lithium ion cells during overcharge under adiabatic conditions

    International Nuclear Information System (INIS)

    Ye, Jiana; Chen, Haodong; Wang, Qingsong; Huang, Peifeng; Sun, Jinhua; Lo, Siuming

    2016-01-01

    Highlights: • The modified adiabatic method is used to measure the heat generation under overcharge. • Side reactions contribute 80% heat to thermal runaway in the cases with cycling rate below 1.0 C. • The inflection and maximum voltages increase linearly with the increasing current rates. • The decomposed products of cathode materials are soluble with that of SiO_x. • Lithium plating on anode is due to changes of distance between the cathode and anode. - Abstract: Cells in battery packs are easily overcharged when battery management system (BMS) is out of order, causing thermal runaway. However, the traditional calorimetry could not estimate dynamic overcharging heat release. In this study, commercial LiCoO_2 + Li(Ni_0_._5Co_0_._2Mn_0_._3)O_2/C + SiO_x cells are employed to investigate the dynamic thermal behaviors during overcharge under adiabatic condition by combining a multi-channel battery cycler with an accelerating rate calorimeter. The results indicate that overcharging with galvanostatic - potentiostatic - galvanostatic regime is more dangerous than that with galvanostatic way. Side reactions contribute 80% heat to thermal runaway in cases below 1.0 C charging rate. To prevent the thermal runaway, the effective methods should be taken within 2 min to cool down the batteries as soon as the cells pass inflection point voltage. Hereinto, the inflection and maximum voltages increase linearly with the increasing current rates. By scanning electron microscope and energy dispersive spectrometer, the decomposed products of cathode materials are suspected to be soluble with SiOx. The overcharge induced decomposition reaction of Li(Ni_0_._5Co_0_._2Mn_0_._3)O_2 is also proposed. These results can provide support for the safety designs of lithium ion batteries and BMS.

  1. Study of sorption mechanisms of europium(3) and uranium(6) ions on clays : impact of silicates; Etude des mecanismes de retention des ions U(6) et Eu(3) sur les argiles: influence des silicates

    Energy Technology Data Exchange (ETDEWEB)

    Kowal-Fouchard, A

    2002-11-01

    Bentonite clay has been selected as a potential buffer or backfill material in a number of disposal programmes for high level waste. In order to enhance the thermodynamic database of sorption phenomena at the solid-water interface, we have investigated sorption mechanisms of europium(III) and uranium(VI) ions onto montmorillonite and bentonite. Thermodynamic data were obtained for different ions concentrations, different background electrolytes and different ionic strengths. The structural identification of the surface complexes and sorption sites was carried out using two spectroscopies, XPS and TRLIFS, while sorption edges were performed using batch experiments. However, clays are complex minerals and in order to understand these sorption mechanisms we have studied europium(III) and uranium(VI) retention on a silica and an alumina because these solids are often considered as basic components of clays. The comparison of structural results shows that europium ions are significantly sorbed on permanently charged sites of clay until pH 7. But this ion is also sorbed on {identical_to}SiOH and {identical_to}AlOH sites of montmorillonite at pH higher than 6. Uranyl ions sorption on montmorillonite is mainly explained by retention of three complexes on {identical_to}SiOH sites. Moreover, we have shown that nitrate ions and dissolved silicates affect on uranium(VI) sorption mechanisms onto alumina. Nevertheless, uranyl ions sorption on montmorillonite and bentonite only decreases with increasing carbonate concentration. Finally, all the sorption edges were then modeled using these results and a surface complexation model (2 pK and constant capacitance models). (author)

  2. Simple and rapid mercury ion selective electrode based on 1-undecanethiol assembled Au substrate and its recognition mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xian-Qing; Liang, Hai-Qing [Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering, Changsha University of Science and Technology, Changsha 410114 (China); Cao, Zhong, E-mail: zhongcao2004@163.com [Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering, Changsha University of Science and Technology, Changsha 410114 (China); Xiao, Qing [Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering, Changsha University of Science and Technology, Changsha 410114 (China); Xiao, Zhong-Liang, E-mail: xiaozhongliang@163.com [Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering, Changsha University of Science and Technology, Changsha 410114 (China); State Key Laboratory of High Performance Complex Manufacturing, School of Mechanical and Electrical Engineering, Central South University, Changsha 410083 (China); Song, Liu-Bin [Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering, Changsha University of Science and Technology, Changsha 410114 (China); Chen, Dan [Hunan Airbluer Environmental Protection Technology Co., Ltd., Changsha 410014 (China); Wang, Fu-Liang [State Key Laboratory of High Performance Complex Manufacturing, School of Mechanical and Electrical Engineering, Central South University, Changsha 410083 (China)

    2017-03-01

    A simple and rapid mercury ion selective electrode based on 1-undecanethiol (1-UDT) assembled Au substrate (Au/1-UDT) has been well constructed. 1-UDT was for the purpose of generating self-assembled monolayer on gold surface to recognize Hg{sup 2+} in aqueous solution, which had a working concentration range of 1.0 × 10{sup −} {sup 8}–1.0 × 10{sup −4} mol L{sup −1}, with a Nernst response slope of 28.83 ± 0.4 mV/-pC, a detection limit of 4.5 × 10{sup −9} mol L{sup −1}, and a good selectivity over the other tested cations. Also, the Au/1-UDT possessed good reproducibility, stability, and short response time. The recovery obtained for the determination of mercury ion in practical tremella samples was in the range of 99.8–103.4%. Combined electrochemical analysis and X-ray photoelectron spectroscopy (XPS) with quantum chemical computation, the probable recognition mechanism of the electrode for selective recognition of Hg{sup 2+} has been investigated. The covalent bond formed between mercury and sulfur is stronger than the one between gold and sulfur and thus prevents the adsorption of 1-UDT molecules on the gold surface. The quantum chemical computation with density functional theory further demonstrates that the strong interaction between the mercury atom and the sulfur atom on the gold surface leads to the gold sulfur bond ruptured and the gold mercury metallophilic interaction. - Highlights: • A simple and rapid mercury ion selective electrode has been well constructed. • The Au/1-UDT electrode for sensing Hg{sup 2+} has a sensitivity of 28.83 ± 0.4 mV/− pC. • The ISE method has a detection limit of Hg{sup 2+} down to 4.5 × 10{sup −9} mol L{sup −1}. • A mechanism with density functional theory for recognition of Hg{sup 2+} is developed. • The quantum chemical computation demonstrates Au-Hg metallophilic interaction.

  3. Metal and pharmaceutical mixtures: Is ion loss the mechanism underlying acute toxicity and widespread additive toxicity in zebrafish?

    Energy Technology Data Exchange (ETDEWEB)

    Alsop, Derek, E-mail: alsopde@mcmaster.ca; Wood, Chris M.

    2013-09-15

    Highlights: •Zebrafish larvae were used to test the acute toxicity of contaminant mixtures. •Interactions were observed between metals, ammonia and pharmaceuticals. •Larval Na{sup +} loss was observed with exposure to all acutely toxic contaminants tested. •Water quality criteria should recognize the toxic interactions between contaminants. -- Abstract: The acute toxicities and mechanisms of action of a variety of environmental contaminants were examined using zebrafish larvae (Danio rerio; 4–8 days post fertilization). Toxic interactions were observed between metals. For example, the addition of a sublethal level of nickel (15% of the LC{sub 50}, one third of the LC{sub 01}) to all copper treatments decreased the copper 96 h LC{sub 50} by 58%, while sublethal copper exposure (6% of the copper LC{sub 50}, 13% of the LC{sub 01}) decreased the cadmium 96 h LC{sub 50} by 47%. Two predictive models were assessed, the concentration addition (CA) model, which assumes similar mechanisms of action, and the independent action (IA) model, which assumes different mechanisms of action. Quantitative comparisons indicated the CA model performed better than the IA model; the latter tended to underestimate combined toxicity to a greater extent. The effects of mixtures with nickel or ammonia were typically additive, while mixtures with copper or cadmium were typically greater than additive. Larvae exposed to cadmium, copper or nickel experienced whole body ion loss. Decreases were greatest for Na{sup +} followed by K{sup +} (as high as 19% and 9%, respectively, in 24 h). Additive toxicity between copper and other pharmaceutical compounds such as fluoxetine (Prozac™), β-naphthoflavone, estrogen and 17α-ethinylestradiol were also observed. Similar to metals, acutely toxic concentrations of fluoxetine, β-naphthoflavone and ammonia all decreased whole body Na{sup +} and K{sup +}. Overall, whole body Na{sup +} loss showed the greatest correlation with mortality across a

  4. Crud removal by ion exchange resin DIAION HPAN10 and its mechanisms

    International Nuclear Information System (INIS)

    Tsuhara, Ryosuke; Goda, Takashi; Tokumaru, Izuru; Yano, Katsuhiko

    2014-01-01

    The metal corrosion products generated in the water systems of nuclear power plants (crud) should be efficiently removed from the water in order to maintain the safety and reliability of the plants' constituent materials and reduce radiation exposure to workers. Recently, we developed a new highly porous type of anion exchange resin product, 'DIAION HPAN10', which has a high crud removal capability. HPAN10 has a highly-developed porous structure, and it is considered that the structure contributes to the efficient capture of curd. Furthermore, HPAN10 was designed specially for the capture of crud, including physical properties such as proper macro pore size, particle size and strength. Therefore, the model crud removal capability of HPAN10 is ten times greater than that of conventional gel types. In regards to the mechanisms of curd removal by resin, it is generally considered that there are three factors which affect the capture of curd: they are filter effect, electric potential and curd penetration into resin particles by partially dissolution. On this report, new experimental data and the consideration about crud removal mechanisms are introduced. (author)

  5. Interaction mechanism for energy transfer from Ce to Tb ions in silica

    International Nuclear Information System (INIS)

    Seed Ahmed, H.A.A.; Chae, W.S.; Ntwaeaborwa, O.M.; Kroon, R.E.

    2016-01-01

    Energy transfer phenomena can play an important role in the development of luminescent materials. In this study, numerical simulations based on theoretical models of non-radiative energy transfer are compared to experimental results for Ce, Tb co-doped silica. Energy transfer from the donor (Ce) to the acceptor (Tb) resulted in a decrease in the Ce luminescence intensity and lifetime. The decrease in intensity corresponded best with the energy transfer models based on the exchange interaction and the dipole-dipole interaction. The critical transfer distance obtained from the fitting using both these models is around 2 nm. Since the exchange interaction requires a distance shorter than 1 nm to occur, the mechanism most likely to account for the energy transfer is concluded to be the dipole–dipole interaction. This is supported by an analysis of the lifetime data.

  6. Bubbles formation in helium ion irradiated Cu/W multilayer nanocomposites: Effects on structure and mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Callisti, M., E-mail: M.Callisti@soton.ac.uk [National Centre for Advanced Tribology at Southampton, Faculty of Engineering and the Environment, University of Southampton, Southampton SO17 1BJ (United Kingdom); Karlik, M. [Department of Materials, Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Trojanova 13, 120 00 Prague 2 (Czech Republic); Polcar, T. [National Centre for Advanced Tribology at Southampton, Faculty of Engineering and the Environment, University of Southampton, Southampton SO17 1BJ (United Kingdom); Department of Control Engineering, Faculty of Electrical Engineering, Czech Technical University in Prague, Technická 2, 16627 Prague 6 (Czech Republic)

    2016-05-15

    This study investigates the effects of He bubbles on structural and mechanical properties of sputter-deposited Cu/W multilayers. A multilayer with a periodicity of 10 nm was deposited and subjected to helium ion irradiation with two different fluences. He bubbles formed mostly in Cu layers and their distribution was affected by He concentration and radiation damage. According to SRIM calculations, in low He concentration regions bubbles formed mostly along interfaces, while more homogeneously distributed bubbles were found in Cu layers and along columnar grain boundaries in higher He concentration regions. We suggest that the capability of interfaces to annihilate point defects is weakened by the He bubbles shielding effect. Nanoindentation tests revealed a hardness decrease amounting to ∼0.5 and ∼1 GPa for low and high fluences, respectively. The observed softening effect is attributed to He storage-induced changes in residual stresses and columnar grain boundary/interfacial sliding facilitated by He bubbles. - Highlights: • Cu/W nanocomposites were subjected to He{sup +} irradiation with different fluences. • He bubbles formed more homogeneously in higher He concentration regions. • Decrease in mechanical properties was observed for higher He concentrations. • He bubbles formation facilitated interfacial and grain boundary sliding.

  7. [Stabilization of Cadmium Contaminated Soils by Ferric Ion Modified Attapulgite (Fe/ATP)--Characterizations and Stabilization Mechanism].

    Science.gov (United States)

    Rong, Yang; Li, Rong-bo; Zhou, Yong-li; Chen, Jing; Wang, Lin-ling; Lu, Xiao-hua

    2015-08-01

    Ferric ion modified attapulgite (Fe/ATP) was prepared by impregnation and its structure and morphology were characterized. The toxicity characteristic leaching procedure (TCLP) was used to evaluate the effect of Cadmium( Cd) stabilization in soil with the addition of attapulgite (ATP) and Fe/ATP. The stabilization mechanism of Cd was further elucidated by comparing the morphologies and structure of ATP and Fe/ATP before and after Cd adsorption. Fe/ATP exhibited much better adsorption capacity than ATP, suggesting different adsorption mechanisms occurred between ATP and Fe/ATP. The leaching concentrations of Cd in soil decreased by 45% and 91% respectively, with the addition of wt. 20% ATP and Fe/ATP. The former was attributed to the interaction between Cd2 and --OH groups by chemical binding to form inner-sphere complexes in ATP and the attachment between Cd2+ and the defect sites in ATP framework. Whereas Cd stabilization with Fe/ATP was resulted from the fact that the active centers (--OH bonds or O- sites) on ATP could react with Fe3+ giving Fe--O--Cd-- bridges, which helped stabilize Cd in surface soil. What'more, the ferric oxides and metal hydroxides on the surface of ATP could interact with Cd, probably by the formation of cadmium ferrite. In conclusion, Fe/ATP, which can be easily prepared, holds promise as a potential low-cost and environmental friendly stabilizing agent for remediation of soil contaminated with heavy metals.

  8. 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.

  9. In Situ Radiographic Investigation of (De)Lithiation Mechanisms in a Tin-Electrode Lithium-Ion Battery.

    Science.gov (United States)

    Sun, Fu; Markötter, Henning; Zhou, Dong; Alrwashdeh, Saad Sabe Sulaiman; Hilger, Andre; Kardjilov, Nikolay; Manke, Ingo; Banhart, John

    2016-05-10

    The lithiation and delithiation mechanisms of multiple-Sn particles in a customized flat radiography cell were investigated by in situ synchrotron radiography. For the first time, four (de)lithiation phenomena in a Sn-electrode battery system are highlighted: 1) the (de)lithiation behavior varies between different Sn particles, 2) the time required to lithiate individual Sn particles is markedly different from the time needed to discharge the complete battery, 3) electrochemical deactivation of originally electrochemically active particles is reported, and 4) a change of electrochemical behavior of individual particles during cycling is found and explained by dynamic changes of (de)lithiation pathways amongst particles within the electrode. These unexpected findings fundamentaly expand the understanding of the underlying (de)lithiation mechanisms inside commercial lithium-ion batteries (LIBs) and would open new design principles for high-performance next-generation LIBs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Ion pump as Brownian motor: theory of electroconformational coupling and proof of ratchet mechanism for Na,K-ATPase action

    Science.gov (United States)

    Tsong, Tian Yow; Chang, Cheng-Hung

    2003-04-01

    This article reviews some concepts of the Brownian Ratchet which are relevant to our discussion of mechanisms of action of Na,K-ATPase, a universal ion pump and an elemental motor protein of the biological cell. Under wide ranges of ionic compositions it can hydrolyze an ATP and use the γ-phosphorous bond energy of ATP to pump 3 Na + out of, and 2 K + into the cell, both being uphill transport. During the ATP-dependent pump cycle, the enzyme oscillates between E1 and E2 states. Our experiment replaces ATP with externally applied electric field of various waveforms, amplitudes, and frequencies. The field enforced-oscillation, or fluctuation of E1 and E2 states enables the enzyme to harvest energy from the applied field and convert it to the chemical gradient energy of cations. A theory of electroconformational coupling (TEC), which embodies all the essential features of the Brownian Ratchet, successfully simulates these experimental results. Our analysis based on a four-state TEC model indicates that the equilibrium and the rate constants of the transport system define the frequency and the amplitude of the field for the optimal activation. Waveform, frequency, and amplitude are three elements of signal. Thus, electric signal of the ion pump is found by TEC analysis of the experimental data. Electric noise (white) superimposed on an electric signal changes the pump efficiency and produces effects similar to the stochastic resonance reported in other biological systems. The TEC concept is compared with the most commonly used Michaelis-Menten enzyme mechanism (MME) for similarities and differences. Both MME and TEC are catalytic wheels, which recycle the catalyst in each turnover. However, a MME can only catalyze reaction of descending free energy while a TEC enzyme can catalyze reaction of ascending free energy by harvesting needed energy from an off-equilibrium electric noise. The TEC mechanism is shown to be applicable to other biological motors and engines, as

  11. Oxide ion diffusion mechanism related to Co and Fe ions in (Ba0.5Sr0.5)(Co0.8Fe0.2)O3-δ using in-situ X-ray absorption spectroscopy

    Science.gov (United States)

    Itoh, Takanori; Imai, Hideto

    2018-03-01

    The time changes of the white line and pre-edge intensities of Co and Fe K-edge in (Ba0.5Sr0.5)(Co0.8Fe0.2)O3-δ (BSCF) were observed to estimate the oxide ion diffusion related to Co and Fe ions by using in - situ X-ray absorption spectroscopy (XAS) during oxidation. The 20 μm self-standing BSCF film was prepared for in - situ XAS measurements. The time changes of absorption were fitted to the exponential decay function with two terms. The longer relaxation time (τ), related to the oxide ion diffusion during the oxidation of BSCF, is dependent on temperature. The oxide ion diffusion coefficients (D) were calculated from the τ s estimated by in - situ XAS. The values of the activation energy (Ea) for D related to Co K-edge white line, Co pre-edge, and Fe pre-edge were 1.8-2.0 eV. The value of Ea for D related to Fe K-edge white line, however, was higher than other absorption values at approximately 2.3 eV. We discussed the oxide ion diffusion mechanism related to Co and Fe ions in BSCF using in - situ XAS.

  12. Molecular dynamics and experimental studies on deposition mechanisms of ion beam sputtering

    International Nuclear Information System (INIS)

    Fang, T.-H.; Chang, W.-J.; Lin, C.-M.; Lien, W.-C.

    2008-01-01

    Molecular dynamics (MD) simulation and experimental methods are used to study the deposition mechanism of ionic beam sputtering (IBS), including the effects of incident energy, incident angle and deposition temperature on the growth process of nickel nanofilms. According to the simulation, the results showed that increasing the temperature of substrate decreases the surface roughness, average grain size and density. Increasing the incident angle increases the surface roughness and the average grain size of thin film, while decreasing its density. In addition, increasing the incident energy decreases the surface roughness and the average grain size of thin film, while increasing its density. For the cases of simulation, with the substrate temperature of 500 K, normal incident angle and 14.6 x 10 -17 J are appropriate, in order to obtain a smoother surface, a small grain size and a higher density of thin film. From the experimental results, the surface roughness of thin film deposited on the substrates of Si(1 0 0) and indium tin oxide (ITO) decreases with the increasing sputtering power, while the thickness of thin film shows an approximately linear increase with the increase of sputtering power

  13. Chemical and mechanical instabilities in high energy heavy-ion collisions

    International Nuclear Information System (INIS)

    Gervino, G; Lavagno, A; Pigato, D

    2015-01-01

    We investigate the possible thermodynamic instability in a warm and dense nuclear medium where a phase transition from nucleonic matter to resonance-dominated Δ-matter can take place. Such a phase transition is characterized by both mechanical instability (fluctuations on the baryon density) and by chemical-diffusive instability (fluctuations on the isospin concentration) in asymmetric nuclear matter. Similarly to the liquid-gas phase transition, the nucleonic and the Δ-matter phase have a different isospin density in the mixed phase. In the liquid-gas phase transition, the process of producing a larger neutron excess in the gas phase is referred to as isospin fractionation. A similar effects can occur in the nucleon-Δ matter phase transition due essentially to a Δ − excess in the Δ-matter phase in asymmetric nuclear matter. In this context, we study the hadronic equation of state by means of an effective quantum relativistic mean field model with the inclusion of the full octet of baryons, the Δ-isobar degrees of freedom, and the lightest pseudoscalar and vector mesons. Finally, we will investigate the presence of thermodynamic instabilities in a hot and dense nuclear medium where phases with different values of antibaryon-baryon ratios and strangeness content may coexist. Such a physical regime could be in principle investigated in the future high-energy compressed nuclear matter experiments where will make it possible to create compressed baryonic matter with a high net baryon density. (paper)

  14. Nitrate Ion Photochemistry at Interfaces: A New Mechanism for Oxidation of alpha-Pinene

    International Nuclear Information System (INIS)

    Yu, Yong; Ezell, Michael J.; Zelenyuk, Alla N.; Imre, Dan G.; Alexander, M. Lizabeth; Ortega, John V.; Thomas, Jennie L.; Gogna, Karun; Tobias, Douglas J.; D'Anna, Barbara; Harmon, Chris W.; Johnson, Stan; Finlayson-Pitts, Barbara J.

    2008-01-01

    The photooxidation of 0.6-0.9 ppm α-pinene in the presence of a deliquesced thin film of NaNO3, and for comparison increasing concentrations of NO2, was studied in a 100 L Teflon(reg s ign) chamber at relative humidities from 70-88% and temperatures from 296-304 K. The loss of α-pinene and the formation of gaseous products were followed with time using proton transfer mass spectrometry. The yields of gas phase products were smaller in the NaNO3 experiments than in NO2 experiments. In addition, pinonic acid, pinic acid, trans-sobrerol and other unidentified products were detected in the extracts of the wall washings only for the NaNO3 photolysis. These data indicate enhanced loss of α-pinene at the NaNO3 thin film during photolysis. Supporting the experimental results are molecular dynamics simulations which predict that α-pinene has an affinity for the surface of the deliquesced nitrate thin film, enhancing the opportunity for oxidation of the impinging organic gas during the nitrate photolysis. This new mechanism of oxidation of organics may be partially responsible for the correlation between nitrate and the organic component of particles observed in many field studies, and may also contribute to the missing source of SOA needed to reconcile model predictions and field measurements. In addition, photolysis of nitrate on surfaces in the boundary layer may lead to oxidation of co-adsorbed organics

  15. Structural mechanism underlying capsaicin binding and activation of TRPV1 ion channel

    Science.gov (United States)

    Cheng, Wei; Yang, Wei; Yu, Peilin; Song, Zhenzhen; Yarov-Yarovoy, Vladimir; Zheng, Jie

    2015-01-01

    Capsaicin bestows spiciness by activating TRPV1 channel with exquisite potency and selectivity. Capsaicin-bound channel structure was previously resolved by cryo-EM at 4.2-to-4.5 Å resolution, however important details required for mechanistic understandings are unavailable: capsaicin was registered as a small electron density, reflecting neither its chemical structure nor specific ligand-channel interactions. We obtained the missing atomic-level details by iterative computation, which were confirmed by systematic site-specific functional tests. We observed that the bound capsaicin takes “tail-up, head-down” configurations. The vanillyl and amide groups form specific interactions to anchor its bound position, while the aliphatic tail may sample a range of conformations, making it invisible in cryo-EM images. Capsaicin stabilizes the open state by “pull-and-contact” interactions between the vanillyl group and the S4-S5 linker. Our study provided a structural mechanism for the agonistic function of capsaicin and its analogs, and demonstrated an effective approach to obtain atomic level information from cryo-EM structures. PMID:26053297

  16. Analysis on the capacity degradation mechanism of a series lithium-ion power battery pack based on inconsistency of capacity

    International Nuclear Information System (INIS)

    Wang Zhen-Po; Liu Peng; Wang Li-Fang

    2013-01-01

    The lithium-ion battery has been widely used as an energy source. Charge rate, discharge rate, and operating temperature are very important factors for the capacity degradations of power batteries and battery packs. Firstly, in this paper we make use of an accelerated life test and a statistical analysis method to establish the capacity accelerated degradation model under three constant stress parameters according to the degradation data, which are charge rate, discharge rate, and operating temperature, and then we propose a capacity degradation model according to the current residual capacity of a Li-ion cell under dynamic stress parameters. Secondly, we analyze the charge and discharge process of a series power battery pack and interpret the correlation between the capacity degradations of the battery pack and its charge/discharge rate. According to this cycling condition, we establish a capacity degradation model of a series power battery pack under inconsistent capacity of cells, and analyze the degradation mechanism with capacity variance and operating temperature difference. The comparative analysis of test results shows that the inconsistent operating temperatures of cells in the series power battery pack are the main cause of its degradation; when the difference between inconsistent temperatures is narrowed by 5 °C, the cycle life can be improved by more than 50%. Therefore, it effectively improves the cycle life of the series battery pack to reasonably assemble the batteries according to their capacities and to narrow the differences in operating temperature among cells. (interdisciplinary physics and related areas of science and technology)

  17. Editor's Highlight: Perfluorooctane Sulfonate-Choline Ion Pair Formation: A Potential Mechanism Modulating Hepatic Steatosis and Oxidative Stress in Mice.

    Science.gov (United States)

    Zhang, Limin; Krishnan, Prasad; Ehresman, David J; Smith, Philip B; Dutta, Mainak; Bagley, Bradford D; Chang, Shu-Ching; Butenhoff, John L; Patterson, Andrew D; Peters, Jeffrey M

    2016-09-01

    The mechanisms underlying perfluorooctane sulfonate (PFOS)-induced steatosis remain unclear. The hypothesis that PFOS causes steatosis and other hepatic effects by forming an ion pair with choline was examined. C57BL/6 mice were fed either a control diet or a marginal methionine/choline-deficient (mMCD) diet, with and without 0.003, 0.006, or 0.012% potassium PFOS. Dietary PFOS caused a dose-dependent decrease in body weight, and increases in the relative liver weight, hepatic triglyceride concentration and serum markers of liver toxicity and oxidative stress. Some of these effects were exacerbated in mice fed the mMCD diet supplemented with 0.012% PFOS compared with those fed the control diet supplemented with 0.012% PFOS. Surprisingly, serum PFOS concentrations were higher while liver PFOS concentrations were lower in mMCD-fed mice compared with corresponding control-fed mice. To determine if supplemental dietary choline could prevent PFOS-induced hepatic effects, C57BL/6 mice were fed a control diet, or a choline supplemental diet (1.2%) with or without 0.003% PFOS. Lipidomic analysis demonstrated that PFOS caused alterations in hepatic lipid metabolism in the PFOS-fed mice compared with controls, and supplemental dietary choline prevented these PFOS-induced changes. Interestingly, dietary choline supplementation also prevented PFOS-induced oxidative damage. These studies are the first to suggest that PFOS may cause hepatic steatosis and oxidative stress by effectively reducing the choline required for hepatic VLDL production and export by forming an ion pair with choline, and suggest that choline supplementation may prevent and/or treat PFOS-induced hepatic steatosis and oxidative stress. © The Author 2016. Published by Oxford University Press on behalf of the Society of Toxicology. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  18. Functional characterization of the vertebrate primary ureter: Structure and ion transport mechanisms of the pronephric duct in axolotl larvae (Amphibia

    Directory of Open Access Journals (Sweden)

    Prehn Lea R

    2010-05-01

    Full Text Available Abstract Background Three kidney systems appear during vertebrate development: the pronephroi, mesonephroi and metanephroi. The pronephric duct is the first or primary ureter of these kidney systems. Its role as a key player in the induction of nephrogenic mesenchyme is well established. Here we investigate whether the duct is involved in urine modification using larvae of the freshwater amphibian Ambystoma mexicanum (axolotl as model. Results We investigated structural as well as physiological properties of the pronephric duct. The key elements of our methodology were: using histology, light and transmission electron microscopy as well as confocal laser scanning microscopy on fixed tissue and applying the microperfusion technique on isolated pronephric ducts in combination with single cell microelectrode impalements. Our data show that the fully differentiated pronephric duct is composed of a single layered epithelium consisting of one cell type comparable to the principal cell of the renal collecting duct system. The cells are characterized by a prominent basolateral labyrinth and a relatively smooth apical surface with one central cilium. Cellular impalements demonstrate the presence of apical Na+ and K+ conductances, as well as a large K+ conductance in the basolateral cell membrane. Immunolabeling experiments indicate heavy expression of Na+/K+-ATPase in the basolateral labyrinth. Conclusions We propose that the pronephric duct is important for the subsequent modification of urine produced by the pronephros. Our results indicate that it reabsorbs sodium and secretes potassium via channels present in the apical cell membrane with the driving force for ion movement provided by the Na+/K+ pump. This is to our knowledge the first characterization of the pronephric duct, the precursor of the collecting duct system, which provides a model of cell structure and basic mechanisms for ion transport. Such information may be important in understanding

  19. Development of intestinal ion-transporting mechanisms during smoltification and seawater acclimation in Atlantic salmon Salmo salar

    Science.gov (United States)

    Sundh, Henrik; Nilsen, Tom O.; Lindström, Jenny; Hasselberg-Frank, Linda; Stefansson, Sigurd O.; McCormick, Stephen D.; Sundell, K.

    2014-01-01

    This study investigated the expression of ion transporters involved in intestinal fluid absorption and presents evidence for developmental changes in abundance and tissue distribution of these transporters during smoltification and seawater (SW) acclimation of Atlantic salmonSalmo salar. Emphasis was placed on Na+, K+-ATPase (NKA) and Na+, K+, Cl− co-transporter (NKCC) isoforms, at both transcriptional and protein levels, together with transcription of chloride channel genes. The nka α1c was the dominant isoform at the transcript level in both proximal and distal intestines; also, it was the most abundant isoform expressed in the basolateral membrane of enterocytes in the proximal intestine. This isoform was also abundantly expressed in the distal intestine in the lower part of the mucosal folds. The protein expression of intestinal Nkaα1c increased during smoltification. Immunostaining was localized to the basal membrane of the enterocytes in freshwater (FW) fish, and re-distributed to a lateral position after SW entry. Two other Nka isoforms, α1a and α1b, were expressed in the intestine but were not regulated to the same extent during smoltification and subsequent SW transfer. Their localization in the intestinal wall indicates a house-keeping function in excitatory tissues. The absorptive form of the NKCC-like isoform (sub-apically located NKCC2 and/or Na+, Cl−co-transporter) increased during smoltification and further after SW transfer. The cellular distribution changed from a diffuse expression in the sub-apical regions during smoltification to clustering of the transporters closer to the apical membrane after entry to SW. Furthermore, transcript abundance indicates that the mechanisms necessary for exit of chloride ions across the basolateral membrane and into the lateral intercellular space are present in the form of one or more of three different chloride channels: cystic fibrosis transmembrane conductance regulator I and II and chloride channel

  20. Synthesis and Crystal Structures of Two Metal Complexes Incorporating Malonate and Organodiamine Ligands

    International Nuclear Information System (INIS)

    Zhang, Quan Zheng; Yang, Wen Bin; Chen, Shu Mei; Lu, Can Zhong

    2005-01-01

    In the present work we report the synthesis and X-ray crystal structures of two new malonato complexes incorporating organodiamine ligands: [Ni(phen)(mal)(H_2O)_2]·3H_2O (H_2mal = malonic acid, phen = 1,10-phenanthroline) and [Zn(bpy)(H_2O)]_2[Zn(bpy)(mal)(H_2O)_2]_2(NO_3)_4·4H_2O (bpy = 2,2'-bipyridine). Investigation on novel organic-inorganic hybrid framework assemblies represents one of the most active areas of material science and chemical research. Major advances have been made in these materials due to their interesting properties and potential in various applications, e. g., electrical conductivity, magnetism, host-guest chemistry, ion exchange, catalysis, nonlinear optics, etc. Moreover, discovery and design of such new materials with specific networks remain of a particularly important and active subject in the field of supramolecuar chemistry and crystal engineering. A variety of complexes with interesting compositions and topologies have been prepared through taking certain factors into account, such as the coordination nature of the metal ion and the shape, functionality, flexibility, and symmetry of organic ligand. Recently, some dicarboxylate ligands, such as oxalate, malonate, and terephthalate, have been widely used in the construction of these interesting structures

  1. Uranyl ion sorption mechanisms on titanium oxide: a multi-scale approach

    International Nuclear Information System (INIS)

    Vandenborre, J.; Drot, R.; Simoni, E.; Dong, W.; Du, J.; Dossot, M.; Humbert, B.; Ehrhardt, J.J.

    2005-01-01

    Full text of publication follows: Radionuclides retention mechanisms onto mineral phases is of primary importance for nuclear waste management. The aim of the presented study is to demonstrate that it is possible to predict the retention properties of a methodological powdery substrate from the study of its natural crystallographic orientations. Among the radionuclides of interest, U(VI) can be seen as a model of the radionuclides oxo-cations. The substrate under study is the titanium oxide (TiO 2 ). In fact, rutile can be found as powder and also as manufactured single crystal which allows to study the retention processes on perfectly known crystallographic planes. Since the repartition of the different crystallographic orientations are known for the powder, the results obtained for the single crystals can directly be used to account for the powder retention properties. By using combined spectroscopic techniques such as TRLFS, XPS, DRIFT and SHG, it is possible to determine the nature of the reactive surface sites and also the surface species. XPS and TRLFS measurements allowed to determine that two same uranyl surface species were formed on titania (110) and (001). Only, the relative intensities of these species vary with the surface coverage. Atomic Force Microscopy was carried out to verify that no surface precipitation occurs for the higher surface coverages. Moreover, these analysis have also evidenced that the U(VI) sorption is homogeneous. These observations were corroborated by SHG experiments (mainly for (001)) which have also shown that the sorption occurs, in a first step, onto preferential surface symmetry axis. For rutile powder, the preferential crystallographic orientations are (110), (100) and (101) in the ratio 60/20/20. TRLFS and XPS experiments have shown that two uranyl surface species are formed whatever the pH value ranged from 1 to 5. The spectroscopic characteristics of these species are the same as the ones observed on (110) and (001

  2. Contributions to the study of nuclear reactions mechanism induced by heavy ions on intermediate mass nuclei

    International Nuclear Information System (INIS)

    Avrigeanu, M.

    1982-01-01

    A detailed analysis is presented, based on Hauser-Feshbach statistical model calculations of the γ-ray excitation functions measured in the sup(74,76)Ge ( 12 C, xn) and sup(72,73)Ge ( 16 O,xnyp) reactions. The most usual quantities provided by the in beam γ-ray measurements such as the cross sections for the population of the final states as well as the decay scheme and the degree of alignment of these states mainly offer the means of testing models of both the reaction mechanism and nuclear properties of high excitation energies, since they concentrate information on the whole reaction process. Experimental information on sup(85,86)Sr and sup(85,86)Y, γ-decay scheme and the excitation functions for the population of the final states were obtained by sub(74,76)Ge ( 12 C,αn), n = 2-4, sup(74,76)Ge ( 14 N,xn) n = 3-5, sup(72,73)Ge ( 16 O,xnyp), x = 1-3, y=1 reactions at incident energies between 35 and 60 MW. Statistical model calculations in the Hauser-Feshbach formalism have been compared with the experimental γ-ray excitation functions. The competitive emission of neutrons, protons, alpha particles and gamma rays from the compound nucleus has been considered in the calculations. The calculations describe satisfactorily the total cross sections for the population of the 2n, 3n and 4n channels for 12 C + sup(74,76)Ge and 2n, np, 3n and 2np channels for 16 O + 72 Ge. The calculations are sensitive to the characteristics of the excited levels (such as spin values) but htis this sensitivity could be exploited with some reliability only if one makes use of a rather complete level scheme in the calculations. In the case of 2n, np, 3n and 2 np channels for 16 O+ 73 Ge one concludes on the reliability of consideration some structural aspects in the calculations

  3. Investigation on the Effect of Addition of Fe3+ Ion into the Colloidal AgNPs in PVA Solution and Understanding Its Reaction Mechanism

    Directory of Open Access Journals (Sweden)

    Roto Roto

    2017-11-01

    Full Text Available Analysis of Fe3+ ion present in aqueous solutions is always of interests. Recently, this ion has been analyzed by colorimetric methods using colloid of silver nanoparticles (AgNPs in capping agents of polymers. The reaction mechanism between AgNPs and Fe3+ is still subject to the further investigation. In this work, 1,10-phenanthroline was used to probe the reaction mechanism between AgNPs and Fe3+ ion in the solution. The colloids of AgNPs were prepared in the polyvinyl alcohol (PVA solution and reacted with Fe3+. The colloid surface plasmon absorbance decreases linearly along with the increase in Fe3+ concentration. The addition of 1,10-phenanthroline to mixture changes the solution to red, indicating that the reaction produces Fe2+. This suggests that the reduction of the AgNPs absorbance is the result of oxidation of the Ag nanoparticles along with the reduction of Fe3+.

  4. The novel composite mechanism of ammonium molybdophosphate loaded on silica matrix and its ion exchange breakthrough curves for cesium

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Hao [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); Li, Yuxiang, E-mail: superfigure@163.com [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); National Defense Key Discipline Laboratory for Nuclear Wastes and Environmental Safety, Southwest University of Science and Technology, Mianyang 621010 (China); Wu, Lang [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); Ma, Xue [School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China)

    2017-02-15

    Highlights: • The granular composites were fabricated by the sequential annealing mechanism. • The method controls the porous characteristics and stable structure of materials. • The breakthrough curve of Cs{sup +} follows the Thomas model with a high removal rate. • It is a probable for SM-AMP20 to recycle Cs{sup +} using an eluent of 2–3 mol/L NH{sub 4}NO{sub 3}. - Abstract: Long-lived {sup 137}Cs (over 30 years), a byproduct of the spent fuel fission processes, comprises the majority of high-level and prolific heat-generating waste in downstream processing. This study reports a novel sequential annealing mechanism with cross-linked network of polyvinyl alcohol, fabricating the composite of ammonium molybdophosphate loaded on silica matrix (SM-AMP20, 20 wt% AMP) as an excellent granular ion exchanger for removal Cs{sup +}. When the matrix is remarkably sequential annealed, well-dispersed SM-AMP20 particles are formed by firmly anchoring themselves on controlling the porous characteristics and stable structure. The material crystallizes in the complex cubic space group Pn-3m with cell parameters of crystalline AMP formation. The breakthrough curve of Cs{sup +} by SM-AMP20 follows the Thomas model with a high removal rate of 88.23% (∼10 mg/L of Cs{sup +}) and breakthrough time as high as 26 h (flow rate Q ≈ 2.5 mL/min and bed height Z ≈ 11 cm) at neutral pH. We also report on sorbents that could efficiently remove Cs{sup +} ions from complex solutions containing different competitive cations (Na{sup +}, Al{sup 3+}, Fe{sup 3+}, and Ni{sup 2+}, respectively) in large excess. Furthermore, this study shows that there is a probability for SM-AMP20 to recycle cesium using an eluent of 2–3 mol/L NH{sub 4}NO{sub 3} solution.

  5. Evolution of direct mechanisms with incident energy from the Coulomb-barrier to relativistic energies. - Two-center effects in nucleon transfer between nuclei. - Signatures of nucleon promotion in heavy ion reactions at barrier energies

    International Nuclear Information System (INIS)

    Oertzen, W. von; Voit, H.; Imanishi, B.

    1988-10-01

    This report contains a review article considering the evolution of direct mechanisms with incident energy in heavy ion reactions and two theoretical articles concerning two-center effects in transfer reactions between heavy ions and the nucleon promotion in heavy ion reactions. See hints under the relevant topics. (HSI)

  6. Study of the interaction mechanism in the biosorption of copper(II) ions onto posidonia oceanica and peat

    Energy Technology Data Exchange (ETDEWEB)

    Izquierdo, Marta; Marzal, Paula; Gabaldon, Carmen [Departamento de Ingenieria Quimica, Escuela Tecnica Superior de Ingenieria, Universitat de Valencia, Valencia (Spain); Silvetti, Margherita; Castaldi, Paola [Dipartimento di Scienze Ambientali e Agrarie e Biotecnologie Agro-Alimentari, Sez. Chimica Agraria ed Ambientale, University of Sassari, Sassari (Italy)

    2012-04-15

    A systematic approach was used to characterize the biosorption of copper(II) onto two biosorbents, Posidonia oceanica and peat, focusing on the interaction mechanisms, the copper(II) sorption-desorption process and the thermal behavior of the biosorbents. Sorption isotherms at pH 4-6 were obtained and the experimental data were fitted to the Langmuir model with a maximum uptake (q{sub max}) at pH 6 of 85.78 and 49.69 mg g{sup -1}, for P. oceanica and peat, respectively. A sequential desorption (SD) with water, Ca(NO{sub 3}){sub 2}, and EDTA was applied to copper-saturated biosorbents. Around 65-70% copper(II) were desorbed with EDTA, indicating that this heavy metal was strongly bound. The reversibility of copper(II) sorption was obtained by desorption with HCl and SD. Fourier transform IR spectroscopy (FTIR) analysis detected the presence of peaks associated with OH groups in aromatic and aliphatic structures, CH, CH{sub 2}, and CH{sub 3} in aliphatic structures, COO{sup -} and COOH groups and unsaturated aromatic structures on the surface of both biosorbents, as well as peaks corresponding to Si-O groups on the surface of peat. The results of SEM-EDX and FTIR analysis of copper-saturated samples demonstrated that ion exchange was one of the mechanisms involved in copper(II) retention. Thermal analysis of biosorbent samples showed that copper(II) sorption-desorption processes affected the thermal stability of the biosorbents. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. In situ and postradiation analysis of mechanical stress in Al2O3:Cr induced by swift heavy-ion irradiation

    International Nuclear Information System (INIS)

    Skuratov, V.A.; Bujnarowski, G.; Kovalev, Yu.S.; O'Connell, J.; Havanscak, K.

    2010-01-01

    Optical spectroscopy and TEM techniques have been applied to study the radiation damage and correlated mechanical stresses in Al 2 O 3 and Al 2 O 3 :Cr single crystals induced by (1-3) MeV/amu Kr, Xe and Bi ion irradiation. Mechanical stresses were evaluated in situ using a piezospectroscopic effect through the shift of the respective lines in ionoluminescence spectra. It was found that dose dependence of the stress level for Xe and Bi ions, when ionization energy loss exceeds the threshold of damage formation via electronic excitations, exhibits several alternate stages showing the build-up and relaxation of stresses. The beginning of relaxation stages is observed at fluences associated with beginning of individual ion track regions overlapping. The residual stress profiles through the ion irradiated layers were deduced from depth-resolved photostimulated spectra using laser confocal scanning microscopy set-up. It was determined that stresses are compressive in basal plane and tensile in perpendicular direction in all samples irradiated with high energy ions.

  8. In situ and postradiation analysis of mechanical stress in Al{sub 2}O{sub 3}:Cr induced by swift heavy-ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Skuratov, V.A., E-mail: skuratov@jinr.r [Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation); Bujnarowski, G. [Institute of Physics, Opole University, 45-052 Opole (Poland); Kovalev, Yu.S. [Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation); O' Connell, J. [Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Havanscak, K. [Eoetvoes University, Pazmany P. setany 1/A, H-1117 Budapest (Hungary)

    2010-10-01

    Optical spectroscopy and TEM techniques have been applied to study the radiation damage and correlated mechanical stresses in Al{sub 2}O{sub 3} and Al{sub 2}O{sub 3}:Cr single crystals induced by (1-3) MeV/amu Kr, Xe and Bi ion irradiation. Mechanical stresses were evaluated in situ using a piezospectroscopic effect through the shift of the respective lines in ionoluminescence spectra. It was found that dose dependence of the stress level for Xe and Bi ions, when ionization energy loss exceeds the threshold of damage formation via electronic excitations, exhibits several alternate stages showing the build-up and relaxation of stresses. The beginning of relaxation stages is observed at fluences associated with beginning of individual ion track regions overlapping. The residual stress profiles through the ion irradiated layers were deduced from depth-resolved photostimulated spectra using laser confocal scanning microscopy set-up. It was determined that stresses are compressive in basal plane and tensile in perpendicular direction in all samples irradiated with high energy ions.

  9. Structural, morphological and mechanical properties of niobium nitride thin films grown by ion and electron beams emanated from plasma

    Science.gov (United States)

    Siddiqui, Jamil; Hussain, Tousif; Ahmad, Riaz; Umar, Zeeshan A.; Abdus Samad, Ubair

    2016-05-01

    The influence of variation in plasma deposition parameters on the structural, morphological and mechanical characteristics of the niobium nitride films grown by plasma-emanated ion and electron beams are investigated. Crystallographic investigation made by X-ray diffractometer shows that the film synthesized at 10 cm axial distance with 15 plasma focus shots (PFS) exhibits better crystallinity when compared to the other deposition conditions. Morphological analysis made by scanning electron microscope reveals a definite granular pattern composed of homogeneously distributed nano-spheroids grown as clustered particles for the film synthesized at 10 cm axial distance for 15 PFS. Roughness analysis demonstrates higher rms roughness for the films synthesized at shorter axial distance and by greater number of PFS. Maximum niobium atomic percentage (35.8) and maximum average hardness (19.4 ± 0.4 GPa) characterized by energy-dispersive spectroscopy and nano-hardness analyzer respectively are observed for film synthesized at 10 cm axial distance with 15 PFS.

  10. The mechanism of diffusion and ionic transport of alkali metal ions in the particles of tin(IV) antimonate

    International Nuclear Information System (INIS)

    El-Naggar, I.M.; El-Absy, M.A.; Aly, S.I.; Atomic Energy Establishment, Cairo

    1992-01-01

    The kinetics of exchange Li + , Na + , K + and Cs + ions of tin(IV) antimonate with H + form was studied under particle-diffusion-control conditions at different temperatures. The value of activation energy, diffusion coefficient and entropy of activation increase with the ionic mobilities and radii, and decrease with the hydration energy of the alkali metal ions. On the basis of the kinetic parameters, the exchange of alkali metal ions occurs in the unhydrated form. (author). 29 refs.; 4 figs.; 2 tabs

  11. U(VI) and Eu(III) ion sorption in the interface solution-phosphate solids: Structural study and mechanisms

    International Nuclear Information System (INIS)

    Drot, Romuald

    1998-01-01

    As part of the storage of nuclear wastes in a deep underground disposal, radionuclides sorption on geological or engineered barriers is one of the most important factor which could enhance retardation. Thus, the knowledge of such mechanisms is needed. For this purpose, we chose to experimentally define sorption equilibria before performing simulation of retention data. Several phosphate compounds are potential candidates as engineered barrier additives. We considered Th 4 (PO 4 ) 4 P 2 O 7 , Zr 2 O(PO 4 ) 2 which allow to study the effect of PO 4 and P 2 O 7 groups separately. Eu(III) and U(IV) ions were used as structural probes in order to simulate actinides (III) and (VI) behavior. X-ray powder diffraction, IR spectroscopy and electron probe microanalysis were used to characterized the synthesized solids. Electrophoretic measurements showed an amphoteric behavior of surface sites. Moreover, laser spectro-fluorimetry experiments indicated that no diffusion phenomena of the sorbed ion inside the solid occurs. Thus, we considered that a surface complexation model should be applied. Laser spectro-fluorimetry and XPS allowed to determine the nature of surface sites. ZrP 2 O 7 presents only one single site (P 2 O 7 groups) whereas Th 4 (PO 4 ) 4 P 2 O 7 and Zr 2 O(PO 4 ) 2 admit two types of sites (PO 4 /P 2 O 7 and PO 4 /oxo groups, respectively). Sorbed species were identified using laser spectro-fluorimetry which indicate that, in KNO 3 0.5 M medium and for a known surface site, there are two surface complexes for U(VI) (sorption of UO 2+ 2 et de UO 2 NO + 3 species) and only one for Eu(III) (sorption of EuNO 2+ 3 ). They are linked to the substrate as bidentate inner sphere complexes (EXAFS study). Surface acidity constants were determined by simulation of potentiometric titration curves obtained for each solid suspension using FITEQL code (CCM). As sorption equilibria were defined, experimental retention data simulation was performed with respect to structural

  12. Inactivation of Mechanically Activated Piezo1 Ion Channels Is Determined by the C-Terminal Extracellular Domain and the Inner Pore Helix

    Directory of Open Access Journals (Sweden)

    Jason Wu

    2017-11-01

    Full Text Available Piezo proteins form mechanically activated ion channels that are responsible for our sense of light touch, proprioception, and vascular blood flow. Upon activation by mechanical stimuli, Piezo channels rapidly inactivate in a voltage-dependent manner through an unknown mechanism. Inactivation of Piezo channels is physiologically important, as it modulates overall mechanical sensitivity, gives rise to frequency filtering of repetitive mechanical stimuli, and is itself the target of numerous human disease-related channelopathies that are not well understood mechanistically. Here, we identify the globular C-terminal extracellular domain as a structure that is sufficient to confer the time course of inactivation and a single positively charged lysine residue at the adjacent inner pore helix as being required for its voltage dependence. Our results are consistent with a mechanism for inactivation that is mediated through voltage-dependent conformations of the inner pore helix and allosteric coupling with the C-terminal extracellular domain.

  13. Ultrathin SnO2 nanosheets: Oriented attachment mechanism, nonstoichiometric defects and enhanced Lithium-ion battery performances

    DEFF Research Database (Denmark)

    Wang, Cen; Du, Gaohui; Ståhl, Kenny

    2012-01-01

    investigations of tin oxides as well as their intertransition processes. Finally, we investigated the lithium-ion storage of the SnO2 NSs as compared to SnO2 hollow spheres and NPs. The results showed superior performance of SnO2 NSs sample over its two counterparts. This greatly enhanced Li-ion storage...

  14. Effects of ion irradiation on the mechanical properties of SiNa wO xC yH z sol-gel derived thin films

    Science.gov (United States)

    Lucca, D. A.; Qi, Y.; Harriman, T. A.; Prenzel, T.; Wang, Y. Q.; Nastasi, M.; Dong, J.; Mehner, A.

    2010-10-01

    A study of the effects of ion irradiation of hybrid organic/inorganic modified silicate thin films on their mechanical properties is presented. NaOH catalyzed SiNa wO xC yH z thin films were synthesized by sol-gel processing from tetraethylorthosilicate (TEOS) and methyltriethoxysilane (MTES) precursors and spin-coated onto Si substrates. After drying at 300 °C, the films were irradiated with 125 keV H + or 250 keV N 2+ at fluences ranging from 1 × 10 14 to 2.5 × 10 16 ions/cm 2. Nanoindentation was used to characterize the films. Changes in hardness and reduced elastic modulus were examined as a function of ion fluence and irradiating species. The resulting increases in hardness and reduced elastic modulus are compared to similarly processed acid catalyzed silicate thin films.

  15. Effects of ion irradiation on the mechanical properties of SiNawOxCyHz sol-gel derived thin films

    International Nuclear Information System (INIS)

    Lucca, D.A.; Qi, Y.; Harriman, T.A.; Prenzel, T.; Wang, Y.Q.; Nastasi, M.; Dong, J.; Mehner, A.

    2010-01-01

    A study of the effects of ion irradiation of hybrid organic/inorganic modified silicate thin films on their mechanical properties is presented. NaOH catalyzed SiNa w O x C y H z thin films were synthesized by sol-gel processing from tetraethylorthosilicate (TEOS) and methyltriethoxysilane (MTES) precursors and spin-coated onto Si substrates. After drying at 300 o C, the films were irradiated with 125 keV H + or 250 keV N 2+ at fluences ranging from 1 x 10 14 to 2.5 x 10 16 ions/cm 2 . Nanoindentation was used to characterize the films. Changes in hardness and reduced elastic modulus were examined as a function of ion fluence and irradiating species. The resulting increases in hardness and reduced elastic modulus are compared to similarly processed acid catalyzed silicate thin films.

  16. A facile strategy for fabrication of nano-ZnO/yeast composites and their adsorption mechanism towards lead (II) ions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Wei; Meng, Lingyin [College of Science, Sichuan Agricultural University, Yaan 625014 (China); Mu, Guiqin [Maize Research Institute of Sichuan Agricultural University, Wenjiang 611130 (China); Zhao, Maojun; Zou, Ping [College of Science, Sichuan Agricultural University, Yaan 625014 (China); Zhang, Yunsong, E-mail: yaanyunsong@126.com [College of Science, Sichuan Agricultural University, Yaan 625014 (China)

    2016-08-15

    Highlights: • Nano-ZnO/yeast composites were fabricated by alkali hydrothermal method. • Nano-ZnO was in-situ achieved and anchored on the yeast surface. • Alkali and hydrothermal process cause more exposed funcitional groups on yeast. • Nano-ZnO/yeast composites show higher Pb{sup 2+} adsorption ability than pristine yeast. • Nano-ZnO and exposed functional groups synergistically participate in adsorption. - Abstract: Nano-ZnO/yeast composites were successfully fabricated by one-step alkali hydrothermal method, and their adsorption properties for Pb{sup 2+} ions were also evaluated. Various influencing parameters of nano-ZnO/yeast composites, such as initial pH, contact time and initial Pb{sup 2+} concentration were investigated, respectively. The maximum adsorption capacity of nano-ZnO/yeast composites for Pb{sup 2+} (31.72 mg g{sup −1}) is 2.03 times higher than that of pristine yeast (15.63 mg g{sup −1}). The adsorption mechanism of nano-ZnO/yeast composites was studied by a series of techniques. Scanning electron microscopy (SEM) showed that nano-ZnO is evenly deposited on yeast surface. Atomic force microscopy (AFM) analysis exhibited that the yeast surface is rougher than that of pristine yeast. Energy dispersive X-ray detector (EDX) and X-ray diffraction (XRD) indicated the existence of nano-ZnO on yeast surface. Additionally, X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) measurements further illustrated that alkali hydrothermal method causes not only the generation and anchorage of nano-ZnO on yeast surface but also the exposure of more functional groups (such as amino, carboxyl groups etc.) on yeast surface, both of which could adsorb Pb{sup 2+} via synergistic effect.

  17. A facile strategy for fabrication of nano-ZnO/yeast composites and their adsorption mechanism towards lead (II) ions

    International Nuclear Information System (INIS)

    Zhang, Wei; Meng, Lingyin; Mu, Guiqin; Zhao, Maojun; Zou, Ping; Zhang, Yunsong

    2016-01-01

    Highlights: • Nano-ZnO/yeast composites were fabricated by alkali hydrothermal method. • Nano-ZnO was in-situ achieved and anchored on the yeast surface. • Alkali and hydrothermal process cause more exposed funcitional groups on yeast. • Nano-ZnO/yeast composites show higher Pb"2"+ adsorption ability than pristine yeast. • Nano-ZnO and exposed functional groups synergistically participate in adsorption. - Abstract: Nano-ZnO/yeast composites were successfully fabricated by one-step alkali hydrothermal method, and their adsorption properties for Pb"2"+ ions were also evaluated. Various influencing parameters of nano-ZnO/yeast composites, such as initial pH, contact time and initial Pb"2"+ concentration were investigated, respectively. The maximum adsorption capacity of nano-ZnO/yeast composites for Pb"2"+ (31.72 mg g"−"1) is 2.03 times higher than that of pristine yeast (15.63 mg g"−"1). The adsorption mechanism of nano-ZnO/yeast composites was studied by a series of techniques. Scanning electron microscopy (SEM) showed that nano-ZnO is evenly deposited on yeast surface. Atomic force microscopy (AFM) analysis exhibited that the yeast surface is rougher than that of pristine yeast. Energy dispersive X-ray detector (EDX) and X-ray diffraction (XRD) indicated the existence of nano-ZnO on yeast surface. Additionally, X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) measurements further illustrated that alkali hydrothermal method causes not only the generation and anchorage of nano-ZnO on yeast surface but also the exposure of more functional groups (such as amino, carboxyl groups etc.) on yeast surface, both of which could adsorb Pb"2"+ via synergistic effect.

  18. Use of a silver ion selective electrode to assess mechanisms responsible for biological effects of silver nanoparticles

    International Nuclear Information System (INIS)

    Koch, Marcus; Kiefer, Silke; Cavelius, Christian; Kraegeloh, Annette

    2012-01-01

    For a detailed analysis of the biological effects of silver nanoparticles, discrimination between effects related to the nano-scale size of the particles and effects of released silver ions is required. Silver ions are either present in the initial particle dispersion or released by the nanoparticles over time. The aim of this study is to monitor the free silver ion activity {Ag + } in the presence of silver nanoparticles using a silver ion selective electrode. Therefore, silver in the form of silver nanoparticles, 4.2 ± 1.4 nm and 2–30 nm in size, or silver nitrate was added to cell culture media in the absence or presence of A549 cells as a model for human type II alveolar epithelial cells. The free silver ion activity measured after the addition of silver nanoparticles was determined by the initial ionic silver content. The p {Ag + } values indicated that the cell culture media decrease the free silver ion activity due to binding of silver ions by constituents of the media. In the presence of A549 cells, the free silver ion activity was further reduced. The morphology of A549 cells, cultivated in DME medium containing 9.1% (v/v) FBS, was affected by adding AgNO 3 at concentrations of ≥30 μM after 24 h. In comparison, silver nanoparticles up to a concentration of 200 μM Ag did not affect cellular morphology. Our experiments indicate that the effect of silver nanoparticles is mainly mediated by silver ions. An effect of silver on cellular morphology was observed at p {Ag + } ≤ 9.2.

  19. Ion-exchange mechanism of layered transition-metal oxides: case study of LiNi(0.5)Mn(0.5)O₂.

    Science.gov (United States)

    Gwon, Hyeokjo; Kim, Sung-Wook; Park, Young-Uk; Hong, Jihyun; Ceder, Gerbrand; Jeon, Seokwoo; Kang, Kisuk

    2014-08-04

    An ion-exchange process can be an effective route to synthesize new quasi-equilibrium phases with a desired crystal structure. Important layered-type battery materials, such as LiMnO2 and LiNi(0.5)Mn(0.5)O2, can be obtained through this method from a sodium-containing parent structure, and they often show electrochemical properties remarkably distinct from those of their solid-state synthesized equivalents. However, while ion exchange is generally believed to occur via a simple topotactic reaction, the detailed phase transformation mechanism during the process is not yet fully understood. For the case of layered LiNi(0.5)Mn(0.5)O2, we show through ex situ X-ray diffraction (XRD) that the ion-exchange process consists of several sequential phase transformations. By a study of the intermediate phase, it is shown that the residual sodium ions in the final structure may greatly affect the electrochemical (de)lithiation mechanism.

  20. Mechanism of leakage of ion-implantation isolated AlGaN/GaN MIS-high electron mobility transistors on Si substrate

    Science.gov (United States)

    Zhang, Zhili; Song, Liang; Li, Weiyi; Fu, Kai; Yu, Guohao; Zhang, Xiaodong; Fan, Yaming; Deng, Xuguang; Li, Shuiming; Sun, Shichuang; Li, Xiajun; Yuan, Jie; Sun, Qian; Dong, Zhihua; Cai, Yong; Zhang, Baoshun

    2017-08-01

    In this paper, we systematically investigated the leakage mechanism of the ion-implantation isolated AlGaN/GaN metal-insulator-semiconductor high electron mobility transistors (MIS-HEMTs) on Si substrate. By means of combined DC tests at different temperatures and electric field dependence, we demonstrated the following original results: (1) It is proved that gate leakage is the main contribution to OFF-state leakage of ion-implantation isolated AlGaN/GaN MIS-HEMTs, and the gate leakage path is a series connection of the gate dielectric Si3N4 and Si3N4-GaN interface. (2) The dominant mechanisms of the leakage current through LPCVD-Si3N4 gate dielectric and Si3N4-GaN interface are identified to be Frenkel-Poole emission and two-dimensional variable range hopping (2D-VRH), respectively. (3) A certain temperature annealing could reduce the density of the interface state that produced by ion implantation, and consequently suppress the interface leakage transport, which results in a decrease in OFF-state leakage current of ion-implantation isolated AlGaN/GaN MIS-HEMTs.

  1. Understanding of the mechanical and structural changes induced by alpha particles and heavy ions in the French simulated nuclear waste glass

    Energy Technology Data Exchange (ETDEWEB)

    Karakurt, G., E-mail: karakurt_gokhan@yahoo.fr [SUBATECH, UMR 6457CNRS-IN2P3, Ecole des Mines de Nantes, 4 rue Alfred Kastler, 44307 Nantes (France); Abdelouas, A. [SUBATECH, UMR 6457CNRS-IN2P3, Ecole des Mines de Nantes, 4 rue Alfred Kastler, 44307 Nantes (France); Guin, J.-P.; Nivard, M. [Institut de Physique de Rennes, Université de Rennes 1 – UMR 62051 IPR, 263 avenue du Général Leclerc, 35042 Rennes (France); Sauvage, T. [Laboratoire CEMHTI (Conditions Extrêmes et Matériaux: Haute Température et Irradiation), CNRS UPR, 3079 Orléans (France); Paris, M. [Institut des Matériaux Jean ROUXEL, Université de Nantes, UMR 6502 CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 03 (France); Bardeau, J.-F. [Institut des Molécules et Matériaux du Mans, UMR CNRS 6283, avenue Olivier Messiaen, 72085 Le Mans (France)

    2016-07-15

    Borosilicate glasses are considered for the long-term confinement of high-level nuclear wastes. External irradiations with 1 MeV He{sup +} ions and 7 MeV Au{sup 5+} ions were performed to simulate effects produced by alpha particles and by recoil nuclei in the simulated SON68 nuclear waste glass. To better understand the structural modifications, irradiations were also carried out on a 6-oxides borosilicate glass, a simplified version of the SON68 glass (ISG glass). The mechanical and macroscopic properties of the glasses were studied as function of the deposited electronic and nuclear energies. Alpha particles and gold ions induced a volume change up to −0.7% and −2.7%, respectively, depending on the glass composition. Nano-indentations tests were used to determine the mechanical properties of the irradiated glasses. A decrease of about −22% to −38% of the hardness and a decrease of the reduced Young's modulus by −8% were measured after irradiations. The evolution of the glass structure was studied by Raman spectroscopy, and also {sup 11}B and {sup 27}Al Nuclear Magnetic Resonance (MAS-NMR) on a 20 MeV Kr irradiated ISG glass powder. A decrease of the silica network connectivity after irradiation with alpha particles and gold ions is deduced from the structural changes observations. NMR spectra revealed a partial conversion of BO{sub 4} to BO{sub 3} units but also a formation of AlO{sub 5} and AlO{sub 6} species after irradiation with Kr ions. The relationships between the mechanical and structural changes are also discussed. - Highlights: • Mechanical and structural properties of two borosilicate glass compositions irradiated with alpha particles and heavy ions were investigated. • Both kinds of particles induced a decrease of the hardness, reduced Young's modulus and density. • Electronic and nuclear interactions are responsible for the changes observed. • The evolution of the mechanical properties under irradiation is linked

  2. Understanding of the mechanical and structural changes induced by alpha particles and heavy ions in the French simulated nuclear waste glass

    International Nuclear Information System (INIS)

    Karakurt, G.; Abdelouas, A.; Guin, J.-P.; Nivard, M.; Sauvage, T.; Paris, M.; Bardeau, J.-F.

    2016-01-01

    Borosilicate glasses are considered for the long-term confinement of high-level nuclear wastes. External irradiations with 1 MeV He + ions and 7 MeV Au 5+ ions were performed to simulate effects produced by alpha particles and by recoil nuclei in the simulated SON68 nuclear waste glass. To better understand the structural modifications, irradiations were also carried out on a 6-oxides borosilicate glass, a simplified version of the SON68 glass (ISG glass). The mechanical and macroscopic properties of the glasses were studied as function of the deposited electronic and nuclear energies. Alpha particles and gold ions induced a volume change up to −0.7% and −2.7%, respectively, depending on the glass composition. Nano-indentations tests were used to determine the mechanical properties of the irradiated glasses. A decrease of about −22% to −38% of the hardness and a decrease of the reduced Young's modulus by −8% were measured after irradiations. The evolution of the glass structure was studied by Raman spectroscopy, and also 11 B and 27 Al Nuclear Magnetic Resonance (MAS-NMR) on a 20 MeV Kr irradiated ISG glass powder. A decrease of the silica network connectivity after irradiation with alpha particles and gold ions is deduced from the structural changes observations. NMR spectra revealed a partial conversion of BO 4 to BO 3 units but also a formation of AlO 5 and AlO 6 species after irradiation with Kr ions. The relationships between the mechanical and structural changes are also discussed. - Highlights: • Mechanical and structural properties of two borosilicate glass compositions irradiated with alpha particles and heavy ions were investigated. • Both kinds of particles induced a decrease of the hardness, reduced Young's modulus and density. • Electronic and nuclear interactions are responsible for the changes observed. • The evolution of the mechanical properties under irradiation is linked to the changes occured in the

  3. Mechanism of phase transformations in Mg-based alloys subjected to plasma immersion ion implantation of Ag

    International Nuclear Information System (INIS)

    Kutsenko, Larisa; Fuks, David; Kiv, Arnold; Talianker, Michael; Burlaka, Ljubov; Monteiro, Othon; Brown, Ian

    2006-01-01

    The formation of a new phase of composition Mg 54 Al 28 Ag 18 was observed as a result of plasma immersion ion implantation of Ag into the compound Mg 17 Al 12 . The new structure was characterized using a micro-beam diffraction technique. It was found that the implantation-induced phase transition occurs when the retained dose of the implanted ions is within the range of about 10 15 -10 16 ions/cm 2 . The implanted system has been studied theoretically by means of density-functional electronic structure calculations and a new ab initio approach has been developed to evaluate the specific concentrations of the implanted ions that might cause the phase transition effect in the implanted matrix. The theoretically estimated values of concentrations are in good agreement with experimental observations

  4. Mechanical and tribological properties of carbon thin film with tungsten interlayer prepared by Ion beam assisted deposition

    Czech Academy of Sciences Publication Activity Database

    Vlčák, P.; Černý, F.; Tolde, Z.; Sepitka, J.; Gregora, Ivan; Daniš, S.

    2013-01-01

    Roč. 2013, FEB (2013) ISSN 2314-4874 Institutional support: RVO:68378271 Keywords : carbon coatings * ion beam deposition * XRD * nanoindentation Subject RIV: BM - Solid Matter Physics ; Magnetism http://dx.doi.org/10.1155/2013/630156

  5. Mechanism of the monoclinic-to-tetragonal phase transition induced in zirconia and hafnia by swift heavy ions

    International Nuclear Information System (INIS)

    Benyagoub, Abdenacer

    2005-01-01

    Recent results demonstrated that defect formation or amorphization are not the only structural changes induced by swift heavy ions in crystalline materials and that under certain circumstances crystalline-to-crystalline phase transitions can also occur. For instance, it was found that both zirconia and hafnia transform from the monoclinic to the tetragonal phase with a kinetics involving a double ion impact process. In order to understand the origin of this ion-beam induced phase transition, the behavior of these twin oxides was analyzed and compared. In fact, the likeness of these materials offered the unique opportunity to impose drastic constraints on the possible models proposed to explain the creation of atomic displacements in the wake of swift heavy ions. This comparison clearly suggests that the thermal spike is the most appropriate process which governs the transition from the monoclinic to the tetragonal phase in zirconia and hafnia

  6. Theory of kinetics and equilibrium of ion exchange-adsorption and mechanism of extracting uranium from sea-water with titanic gel

    International Nuclear Information System (INIS)

    Ai Hongtao

    1989-01-01

    An isothermal equation for ion exchange-adsorption is derived by mass action law. The equation can be used to sum up empirical and semiempirical formulas of the exchange adsorption, such as Gapon Equation, Sips Formula, Langmuir Equation and Freundlich Formula. In this paper, by adopting the ion exchange reaction to act as the determining step of the ion exchange adsorption kinetics, and exchange-adsorption kinetics equation is derived. It is verified by he results of a series of experiments in which uranium is extracted form enriched sea-water and natural sea-water with hydrous titanium oxide (titanic gel). This equation can be used to explain not only the results of test which have been applied to prove fast intraparticle diffusion of liquid film deffusion mechanism, but also test data which can be expalined by the co-controlling fast intraparticle and liquid film diffusion, and the kinetic data which can not be clarified by diffusion mechanism. It is proposed that the mechanism of the exchange adsorption of uranium from sea-water with titanic gel is a cationic exchange reaction. A method for calculating the quantity of exchange-adsorption at equilibrium is also given

  7. Enhanced selective removal of Cu(II) from aqueous solution by novel polyethylenimine-functionalized ion imprinted hydrogel: Behaviors and mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jingjing [State Key Laboratory of Pollutant Control and Resource Reuse, Nanjing 210023 (China); School of the Environment, Nanjing University, Nanjing 210023 (China); Li, Zhengkui, E-mail: zhkuili@nju.edu.cn [State Key Laboratory of Pollutant Control and Resource Reuse, Nanjing 210023 (China); School of the Environment, Nanjing University, Nanjing 210023 (China)

    2015-12-30

    Highlights: • A novel ion-imprinted poly(polyethylenimine/hydroxyethyl acrylate) hydrogel was synthesized. • The prepared hydrogel enhanced the selectivity of Cu(II) removal. • The material had high adsorption capacity and excellent regeneration property for copper. • The adsorption mechanism was the chelate interaction between functional groups and Cu(II) ions. - Abstract: A novel polyethylenimine-functionalized ion-imprinted hydrogel (Cu(II)-p(PEI/HEA)) was newly synthesized by {sup 60}Co-γ-induced polymerization for the selective removal of Cu(II) from aqueous solution. The adsorption performances including the adsorption capacity and selectivity of the novel hydrogel were much better than those of similar adsorbents reported. The hydrogel was characterized via scanning electron microscope, transmission electron microscopy, Fourier transform infrared spectra, thermal gravimetric analysis and X-ray photoelectron spectroscopy to determine the structure and mechanisms. The adsorption process was pH and temperature sensitive, better fitted to pseudo-second-order equation, and was Langmuir monolayer adsorption. The maximum adsorption capacity for Cu(II) was 40.00 mg/g. The selectivity coefficients of ion-imprinted hydrogel for Cu(II)/Pb(II), Cu(II)/Cd(II) and Cu(II)/Ni(II) were 55.09, 107.47 and 63.12, respectively, which were 3.93, 4.25 and 3.53 times greater than those of non-imprinted hydrogel, respectively. Moreover, the adsorption capacity of Cu(II)-p(PEI/HEA) could still keep more than 85% after four adsorption–desorption cycles. Because of such enhanced selective removal performance and excellent regeneration property, Cu(II)-p(PEI/HEA) is a promising adsorbent for the selective removal of copper ions from wastewater.

  8. Online differentiation of mineral phase in aerosol particles by ion formation mechanism using a LAAP-TOF single-particle mass spectrometer

    Science.gov (United States)

    Marsden, Nicholas A.; Flynn, Michael J.; Allan, James D.; Coe, Hugh

    2018-01-01

    Mineralogy of silicate mineral dust has a strong influence on climate and ecosystems due to variation in physiochemical properties that result from differences in composition and crystal structure (mineral phase). Traditional offline methods of analysing mineral phase are labour intensive and the temporal resolution of the data is much longer than many atmospheric processes. Single-particle mass spectrometry (SPMS) is an established technique for the online size-resolved measurement of particle composition by laser desorption ionisation (LDI) followed by time-of-flight mass spectrometry (TOF-MS). Although non-quantitative, the technique is able to identify the presence of silicate minerals in airborne dust particles from markers of alkali metals and silicate molecular ions in the mass spectra. However, the differentiation of mineral phase in silicate particles by traditional mass spectral peak area measurements is not possible. This is because instrument function and matrix effects in the ionisation process result in variations in instrument response that are greater than the differences in composition between common mineral phases.In this study, we introduce a novel technique that enables the differentiation of mineral phase in silicate mineral particles by ion formation mechanism measured from subtle changes in ion arrival times at the TOF-MS detector. Using a combination of peak area and peak centroid measurements, we show that the arrangement of the interstitial alkali metals in the crystal structure, an important property in silicate mineralogy, influences the ion arrival times of elemental and molecular ion species in the negative ion mass spectra. A classification scheme is presented that allowed for the differentiation of illite-smectite, kaolinite and feldspar minerals on a single-particle basis. Online analysis of mineral dust aerosol generated from clay mineral standards produced mineral fractions that are in agreement with bulk measurements reported by

  9. Online differentiation of mineral phase in aerosol particles by ion formation mechanism using a LAAP-TOF single-particle mass spectrometer

    Directory of Open Access Journals (Sweden)

    N. A. Marsden

    2018-01-01

    Full Text Available Mineralogy of silicate mineral dust has a strong influence on climate and ecosystems due to variation in physiochemical properties that result from differences in composition and crystal structure (mineral phase. Traditional offline methods of analysing mineral phase are labour intensive and the temporal resolution of the data is much longer than many atmospheric processes. Single-particle mass spectrometry (SPMS is an established technique for the online size-resolved measurement of particle composition by laser desorption ionisation (LDI followed by time-of-flight mass spectrometry (TOF-MS. Although non-quantitative, the technique is able to identify the presence of silicate minerals in airborne dust particles from markers of alkali metals and silicate molecular ions in the mass spectra. However, the differentiation of mineral phase in silicate particles by traditional mass spectral peak area measurements is not possible. This is because instrument function and matrix effects in the ionisation process result in variations in instrument response that are greater than the differences in composition between common mineral phases.In this study, we introduce a novel technique that enables the differentiation of mineral phase in silicate mineral particles by ion formation mechanism measured from subtle changes in ion arrival times at the TOF-MS detector. Using a combination of peak area and peak centroid measurements, we show that the arrangement of the interstitial alkali metals in the crystal structure, an important property in silicate mineralogy, influences the ion arrival times of elemental and molecular ion species in the negative ion mass spectra. A classification scheme is presented that allowed for the differentiation of illite–smectite, kaolinite and feldspar minerals on a single-particle basis. Online analysis of mineral dust aerosol generated from clay mineral standards produced mineral fractions that are in agreement with bulk

  10. Fundamentals of ion exchange

    International Nuclear Information System (INIS)

    Townsend, R.P.

    1993-01-01

    In this paper the fundamentals of ion exchange mechanisms and their thermodynamics are described. A range of ion exchange materials is considered and problems of communication and technology transfer between scientists working in the field are discussed. (UK)

  11. Studies on adsorptions of metallic ions in water by zirconium glyphosate (ZrGP): Behaviors and mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Jia Yunjie; Zhang Yuejuan [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Box. 98, No.15, Beisanhuan donglu, Beijing 100029 (China); Wang Runwei [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun 130012 (China); Fan Faying [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Box. 98, No.15, Beisanhuan donglu, Beijing 100029 (China); Xu Qinghong, E-mail: xuqh@mail.buct.edu.cn [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Box. 98, No.15, Beisanhuan donglu, Beijing 100029 (China)

    2012-01-15

    A new adsorbent named zirconium glyphosate [Zr(O{sub 3}PCH{sub 2}NHCH{sub 2}COOH){sub 2}{center_dot}0.5H{sub 2}O, denoted as ZrGP] and its selective adsorptions to Pb{sup 2+}, Cd{sup 2+}, Mg{sup 2+} and Ca{sup 2+} ions in water were reported in this paper. Compared to other zirconium adsorbents, such as zirconium phosphate [Zr(HPO{sub 4}){sub 2}], ZrGP exhibited highly selective adsorption to Pb{sup 2+} in solution which contained Pb{sup 2+}, Cd{sup 2+}, Mg{sup 2+} and Ca{sup 2+} ions. The loaded ZrGP with metallic ions can be efficaciously regenerated by aqueous solution of HCl (1.0 M) without any noticeable capacity loss, and almost all of it can be reused and recycled. The memory effect on structural regeneration of ZrGP was also found when Mg{sup 2+} and Ca{sup 2+} were adsorbed. To be specific, the structure of ZrGP was destroyed due to adsorbing these two ions, but it could be regenerated after the loaded materials were dipped in HCl solution (1.0 M) for several minutes to remove metallic ions.

  12. Studies on adsorptions of metallic ions in water by zirconium glyphosate (ZrGP): Behaviors and mechanisms

    International Nuclear Information System (INIS)

    Jia Yunjie; Zhang Yuejuan; Wang Runwei; Fan Faying; Xu Qinghong

    2012-01-01

    A new adsorbent named zirconium glyphosate [Zr(O 3 PCH 2 NHCH 2 COOH) 2 ·0.5H 2 O, denoted as ZrGP] and its selective adsorptions to Pb 2+ , Cd 2+ , Mg 2+ and Ca 2+ ions in water were reported in this paper. Compared to other zirconium adsorbents, such as zirconium phosphate [Zr(HPO 4 ) 2 ], ZrGP exhibited highly selective adsorption to Pb 2+ in solution which contained Pb 2+ , Cd 2+ , Mg 2+ and Ca 2+ ions. The loaded ZrGP with metallic ions can be efficaciously regenerated by aqueous solution of HCl (1.0 M) without any noticeable capacity loss, and almost all of it can be reused and recycled. The memory effect on structural regeneration of ZrGP was also found when Mg 2+ and Ca 2+ were adsorbed. To be specific, the structure of ZrGP was destroyed due to adsorbing these two ions, but it could be regenerated after the loaded materials were dipped in HCl solution (1.0 M) for several minutes to remove metallic ions.

  13. Mechanically induced strong red emission in samarium ions doped piezoelectric semiconductor CaZnOS for dynamic pressure sensing and imaging

    Science.gov (United States)

    Wang, Wei; Peng, Dengfeng; Zhang, Hanlu; Yang, Xiaohong; Pan, Caofeng

    2017-07-01

    Piezoelectric semiconductor with optical, electrical and mechanical multifunctions has great potential applications in future optoelectronic devices. The rich properties and applications mainly encompass the intrinsic structures and their coupling effects. Here, we report that lanthanide ions doped piezoelectric semiconductor CaZnOS:Sm3+ showing strong red emission induced by dynamic mechanical stress. Under moderate mechanical load, the doped piezoelectric semiconductor exhibits strong visible red emission to the naked eyes even under the day light. A flexible dynamic pressure sensor device is fabricated based on the prepared CaZnOS:Sm3+ powders. The mechanical-induced emission properties of the device are investigated by the optical fiber spectrometer. The linear characteristic emissions are attributed to the 4G5/2→6H5/2 (566 nm), 4G5/2→6H7/2 (580-632 nm), 4G5/2→6H9/2 (653-673 nm) and 4G5/2→6H11/2 (712-735 nm) f-f transitions of Sm3+ ions. The integral emission intensity is proportional to the value of applied pressure. By using the linear relationship between integrated emission intensity and the dynamic pressure, the real-time pressure distribution is visualized and recorded. Our results highlight that the incorporation of lanthanide luminescent ions into piezoelectric semiconductors as smart materials could be applied into the flexible mechanical-optical sensor device without additional auxiliary power, which has great potential for promising applications such as mapping of personalized handwriting, smart display, and human machine interface.

  14. Chapter 6 Quantum Mechanical Methods for Loss-Excitation and Loss-Ionization in Fast Ion-Atom Collisions

    Science.gov (United States)

    Belkic, Dzevad

    Inelastic collisions between bare nuclei and hydrogen-like atomic systems are characterized by three main channels: electron capture, excitation, and ionization. Capture dominates at lower energies, whereas excitation and ionization prevail at higher impact energies. At intermediate energies and in the region of resonant scattering near the Massey peak, all three channels become competitive. For dressed or clothed nuclei possessing electrons, such as hydrogen-like ions, several additional channels open up, including electron loss (projectile ionization or stripping). The most important aspect of electron loss is the competition between one- and two-electron processes. Here, in a typical one-electron process, the projectile emits an electron, whereas the target final and initial states are the same. A prototype of double-electron transitions in loss processes is projectile ionization accompanied with an alteration of the target state. In such a two-electron process, the target could be excited or ionized. The relative importance of these loss channels with single- and double-electron transitions involving collisions of dressed projectiles with atomic systems is also strongly dependent on the value of the impact energy. Moreover, impact energies determine which theoretical method is likely to be more appropriate to use for predictions of cross sections. At low energies, an expansion of total scattering wave functions in terms of molecular orbitals is adequate. This is because the projectile spends considerable time in the vicinity of the target, and as a result, a compound system comprised of the projectile and the target can be formed in a metastable molecular state which is prone to decay. At high energies, a perturbation series expansion is more appropriate in terms of powers of interaction potentials. In the intermediate energy region, atomic orbitals are often used with success while expanding the total scattering wave functions. The present work is focused on

  15. Shorting time of magnetically insulated reflex-ion diodes from the neutral-atom charge-exchange mechanism

    International Nuclear Information System (INIS)

    Strobel, G.

    1981-10-01

    In a magnetically insulated diode, collision-free electrons return to the cathode and no electron current is present at the anode. Electron transport to the anode is studied in this paper. Steady-state space-charge-limited flow is assumed initially. Breakdown of ion flow occurs when static neutral atoms at the anode undergo charge exchange, which results in neutral atoms drifting across the diode. These are subsequently ionized by reflexing ions producing electrons trapped in Larmor orbits throughout the diode. These electrons drift to the anode via ionization and inelastic collisions with other neutral atoms. Model calculations compare the effects of foil and mesh cathodes. Steady-state space-charge-limited ion current densities are calculated. The neutral atom density at the cathode is determined as a function of time. The shorting time of the diode is scaled versus the electrode separation d, the diode potential V 0 , the magnetic field, and the initial concentration of static neutron atoms

  16. Mechanical characterization of magnesium aluminate MgO·nAl2O3 spinel single crystals irradiated with Cu- ions

    International Nuclear Information System (INIS)

    Ohmura, Takahito; Lee, Chi-Gyu; Kishimoto, Naoki

    2003-01-01

    Ion-irradiation response of spinel single crystals was investigated using a nanoindentation technique. Specimens of stoichiometric (n=1) and non-stoichiometric (n=2.4) single crystals of MgO n(Al 2 O 3 ) spinel were irradiated with 60 keV Cu - ion at room temperature. Dose rate ranged from 1 to 100 μA/cm 2 , and a total dose was kept constant at 3x10 16 ions/cm 2 . Both plastic hardness and elastic modulus of all the irradiated specimens were softened. Radiation-induced swelling simultaneously occurred. Rutherford back scattering spectroscopy detected disordering of spinel crystalline structure. Accordingly, the radiation-induced softening and swelling are ascribed to accumulation of point defects associated with the disordering. In comparison between the stoichiometric and the non-stoichiometric specimens, the radiation-induced softening is suppressed in the non-stoichiometric composition. (author)

  17. Bio-synthesis participated mechanism of mesoporous LiFePO4/C nanocomposite microspheres for lithium ion battery

    DEFF Research Database (Denmark)

    Zhang, X.D.; He, W.; Yue, Yuanzheng

    2012-01-01

    specific surface area (203 m2 g-1). The microsphere is composed of densely aggregated nanoparticles and interconnected nanopores. The open mesoporous structure allows lithium ions easily to penetrate into the spheres, while a thorough coating of the biocarbon network on the surface of the LiFePO4...... nanoparticles facilitates lithium ion and electron diffusion. The MP-LFP/C-NC-MS have high discharge capacity of about 158.5 mA h g−1 at the current density of 0.1 C, discharge capacity of 122 mA h g−1 at 10 C, and high capacity retention rate. Therefore the mesoporous microspheres are an ideal type of cathode......-active materials for making high-power Li-ion batteries....

  18. Mechanical analysis and optimisation of large and highly-loaded bearing rollers For the "Riesenrad" Ion Gantry

    CERN Document Server

    Reimoser, S A

    2000-01-01

    A carbon ion gantry would allow the irradiation of cancer patients with carbon ions from any direction in space best suited for therapy. Till today, such a machine has not been built due to the expected size, mass and cost. A novel design, called "Riesenrad" ion gantry, promises to provide a competitive solution. The central part of the Riesenrad, which can rotate ± 90°, is supported (statically determinate) on pendular bearing units with two rollers each. High precision requirements for the structure rule out any plastic deformations in the area of contact. The present report describes the design of the highly-loaded rollers. In order to achieve a large contact area and a uniform distribution of contact stresses, a "barrel shape" for the rollers is proposed. An analysis using the finite element method (FEM) was performed to optimise the roller design, namely to establish the required crown roll (camber radius).

  19. Degradation mechanism of enhancement-mode AlGaN/GaN HEMTs using fluorine ion implantation under the on-state gate overdrive stress

    International Nuclear Information System (INIS)

    Sun Wei-Wei; Zheng Xue-Feng; Fan Shuang; Wang Chong; Du Ming; Zhang Kai; Mao Wei; Zhang Jin-Cheng; Hao Yue; Chen Wei-Wei; Cao Yan-Rong; Ma Xiao-Hua

    2015-01-01

    The degradation mechanism of enhancement-mode AlGaN/GaN high electron mobility transistors (HEMTs) fabricated by fluorine plasma ion implantation technology is one major concern of HEMT’s reliability. It is observed that the threshold voltage shows a significant negative shift during the typical long-term on-state gate overdrive stress. The degradation does not originate from the presence of as-grown traps in the AlGaN barrier layer or the generated traps during fluorine ion implantation process. By comparing the relationships between the shift of threshold voltage and the cumulative injected electrons under different stress conditions, a good agreement is observed. It provides direct experimental evidence to support the impact ionization physical model, in which the degradation of E-mode HEMTs under gate overdrive stress can be explained by the ionization of fluorine ions in the AlGaN barrier layer by electrons injected from 2DEG channel. Furthermore, our results show that there are few new traps generated in the AlGaN barrier layer during the gate overdrive stress, and the ionized fluorine ions cannot recapture the electrons. (paper)

  20. Influence of Ar-ion implantation on the structural and mechanical properties of zirconia as studied by Raman spectroscopy and nanoindentation techniques

    Science.gov (United States)

    Kurpaska, L.; Jasinski, J.; Wyszkowska, E.; Nowakowska-Langier, K.; Sitarz, M.

    2018-04-01

    In this study, structural and nanomechanical properties of zirconia polymorphs induced by ion irradiation were investigated by means of Raman spectroscopy and nanoindentation techniques. The zirconia layer have been produced by high temperature oxidation of pure zirconium at 600 °C for 5 h at normal atmospheric pressure. In order to distinguish between the internal and external parts of zirconia, the spherical metallographic sections have been prepared. The samples were irradiated at room temperature with 150 keV Ar+ ions at fluences ranging from 1 × 1015 to 1 × 1017 ions/cm2. The main objective of this study was to distinguish and confirm different structural and mechanical properties between the interface layer and fully developed scale in the internal/external part of the oxide. Conducted studies suggest that increasing ion fluence impacts Raman bands positions (especially characteristic for tetragonal phase) and increases the nanohardness and Young's modulus of individual phases. This phenomenon has been examined from the point of view of stress-induced hardening effect and classical monoclinic → tetragonal (m → t) martensitic phase transformation.

  1. Equilibrium, kinetics and mechanism of Au3+, Pd2+ and Ag+ ions adsorption from aqueous solutions by graphene oxide functionalized persimmon tannin.

    Science.gov (United States)

    Wang, Zhongmin; Li, Xiaojuan; Liang, Haijun; Ning, Jingliang; Zhou, Zhide; Li, Guiyin

    2017-10-01

    In this study, a novel bio-adsorbent (PT-GO) was prepared by functionalization persimmon tannin (PT) with graphene oxide (GO) and the effective adsorption behaviors of Au 3+ , Pd 2+ and Ag + ions from aqueous solution was investigated. The PT-GO was characterized by Fourier transform infrared spectrometer (FTIR), scanning electronic microscope (SEM), thermogravimetric analysis (TGA) and Zeta potential. Many influence factors such as pH value, bio-adsorbent dosage, initial concentration of metal ions and contact time were optimized. The maximum adsorption capacity for Au 3+ , Pd 2+ and Ag + was 1325.09mg/g, 797.66mg/g and 421.01mg/g, respectively. The equilibrium isotherm for the adsorption of Au 3+ and Ag + on PT-GO were found to obey the Langmuir model, while the Freundlich model fitted better for Pd 2+ . The adsorption process of Au 3+ , Pd 2+ presented relatively fast adsorption kinetics with pseudo-second-order equation as the best fitting model, while the pseudo-first-order kinetic model was suitable for describing the adsorption of Ag + . Combination of ion exchange, electrostatic interaction and physical adsorption was the mechanism for adsorption of Au 3+ , Pd 2+ and Ag + onto PT-GO bio-adsorbent. Therefore, the PT-GO bio-adsorbent would be an ideal adsorbent for removal of precious metal ions and broaden the potential applications of persimmon tannin in environmental research. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. The Mechanism of Redox Reaction between Palladium(II Complex Ions and Potassium Formate in Acidic Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Wojnicki M.

    2017-06-01

    Full Text Available The kinetics studies of redox reaction between palladium(II chloride complex ions and potassium formate in acidic aqueous solutions was investigated. It was shown, that the reduction reaction of Pd(II is selective in respect to Pd(II complex structure. The kinetic of the process was monitored spectrophotometrically. The influence of chloride ions concentration, Pd(II initial concentration, reductant concentration, ionic strength as well as the temperature were investigated in respect to the process dynamics. Arrhenius equation parameters were determined and are equal to 65.8 kJ/mol, and A = 1.12×1011 s−1.

  3. Influence of SiO{sub 2} on conduction and relaxation mechanism of Li{sup +} ions in binary network former lead silicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Ahlawat, Navneet [Department of Physics, Chaudhary Devi Lal University, Sirsa 125055, Haryana (India); Ahlawat, Neetu, E-mail: neetugju@yahoo.co.in [Department of Applied Physics, Guru Jambheshwar University of Science and Technology, Hisar 125001, Haryana (India); Aghamkar, Praveen [Department of Physics, Chaudhary Devi Lal University, Sirsa 125055, Haryana (India); Agarwal, Ashish; Sanghi, Sujata; Sindhu, Monica [Department of Applied Physics, Guru Jambheshwar University of Science and Technology, Hisar 125001, Haryana (India)

    2013-04-01

    Ion conducting glasses having composition 30Li{sub 2}O·(70−x)PbO·xSiO{sub 2} were prepared by the normal melt quench technique. The compositional variations in density, molar volume and glass transition temperature confirm the dual role of PbO acting as a network modifying oxide as well as a network forming oxide. Conduction and relaxation mechanisms in these glasses were studied using impedance spectroscopy in the frequency range from 1 Hz to 7 MHz and in a temperature range below glass transition temperature. The ac and dc conductivities, activation energy of the dc conductivity and relaxation frequency were extracted from the impedance spectra. Similar values of activation energy for dc conduction and for conductivity relaxation time indicate that the ions have to overcome the same energy barrier while conducting and relaxing. The increase in dc conductivity for silica rich compositions is attributed to the presence of mixed former effect in the studied glasses. The study of conductivity spectra reveals a transition from non-random to random hopping motion of lithium ions on successive replacement of PbO by SiO{sub 2} in glass matrix. The conduction and relaxation mechanism in the studied glasses are well explained with the concept of mismatch and relaxation (CMR) model.

  4. Coupling of Mechanical Behavior of Lithium Ion Cells to Electrochemical-Thermal Models for Battery Crush; NREL (National Renewable Energy Laboratory)

    Energy Technology Data Exchange (ETDEWEB)

    Pesaran, Ahmad; Zhang, Chao; Santhanagopalan, Shriram; Sahraei, Elham; Wierzbiki, Tom

    2015-06-15

    Propagation of failure in lithium-ion batteries during field events or under abuse is a strong function of the mechanical response of the different components in the battery. Whereas thermal and electrochemical models that capture the abuse response of batteries have been developed and matured over the years, the interaction between the mechanical behavior and the thermal response of these batteries is not very well understood. With support from the Department of Energy, NREL has made progress in coupling mechanical, thermal, and electrochemical lithium-ion models to predict the initiation and propagation of short circuits under external crush in a cell. The challenge with a cell crush simulation is to estimate the magnitude and location of the short. To address this, the model includes an explicit representation of each individual component such as the active material, current collector, separator, etc., and predicts their mechanical deformation under different crush scenarios. Initial results show reasonable agreement with experiments. In this presentation, the versatility of the approach for use with different design factors, cell formats and chemistries is explored using examples.

  5. Negative ion sources

    International Nuclear Information System (INIS)

    Ishikawa, Junzo; Takagi, Toshinori

    1983-01-01

    Negative ion sources have been originally developed at the request of tandem electrostatic accelerators, and hundreds of nA to several μA negative ion current has been obtained so far for various elements. Recently, the development of large current hydrogen negative ion sources has been demanded from the standpoint of the heating by neutral particle beam injection in nuclear fusion reactors. On the other hand, the physical properties of negative ions are interesting in the thin film formation using ions. Anyway, it is the present status that the mechanism of negative ion action has not been so fully investigated as positive ions because the history of negative ion sources is short. In this report, the many mechanisms about the generation of negative ions proposed so far are described about negative ion generating mechanism, negative ion source plasma, and negative ion generation on metal surfaces. As a result, negative ion sources are roughly divided into two schemes, plasma extraction and secondary ion extraction, and the former is further classified into the PIG ion source and its variation and Duoplasmatron and its variation; while the latter into reflecting and sputtering types. In the second half of the report, the practical negative ion sources of each scheme are described. If the mechanism of negative ion generation will be investigated more in detail and the development will be continued under the unified know-how as negative ion sources in future, the development of negative ion sources with which large current can be obtained for any element is expected. (Wakatsuki, Y.)

  6. Investigate the ultrasound energy assisted adsorption mechanism of nickel(II) ions onto modified magnetic cobalt ferrite nanoparticles: Multivariate optimization.

    Science.gov (United States)

    Mehrabi, Fatemeh; Alipanahpour Dil, Ebrahim

    2017-07-01

    In present study, magnetic cobalt ferrite nanoparticles modified with (E)-N-(2-nitrobenzylidene)-2-(2-(2-nitrophenyl)imidazolidine-1-yl) ethaneamine (CoFe 2 O 4 -NPs-NBNPIEA) was synthesized and applied as novel adsorbent for ultrasound energy assisted adsorption of nickel(II) ions (Ni 2+ ) from aqueous solution. The prepared adsorbent characterized by Fourier transforms infrared spectroscopy (FT-IR), transmission electron microscope (TEM), vibrating sample magnetometer (VSM) and X-ray diffraction (XRD). The dependency of adsorption percentage to variables such as pH, initial Ni 2+ ions concentration, adsorbent mass and ultrasound time were studied with response surface methodology (RSM) by considering the desirable functions. The quadratic model between the dependent and independent variables was built. The proposed method showed good agreement between the experimental data and predictive value, and it has been successfully employed to adsorption of Ni 2+ ions from aqueous solution. Subsequently, the experimental equilibrium data at different concentration of Ni 2+ ions and 10mg amount of adsorbent mass was fitted to conventional isotherm models like Langmuir, Freundlich, Tempkin, Dubinin-Radushkevich and it was revealed that the Langmuir is best model for explanation of behavior of experimental data. In addition, conventional kinetic models such as pseudo-first and second-order, Elovich and intraparticle diffusion were applied and it was seen that pseudo-second-order equation is suitable to fit the experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Photoinduced proton transfer coupled with energy transfer: Mechanism of sensitized luminescence of terbium ion by salicylic acid doped in polymer.

    Science.gov (United States)

    Misra, Vinita; Mishra, Hirdyesh

    2008-06-28

    In the present work, excited state intramolecular proton transfer (ESIPT) in salicylic acid (SA) monoanion and subsequent sensitization of Tb(3+) ion in polyvinyl alcohol (PVA) have been studied. The study has been carried out both by steady state and time domain fluorescence measurement techniques at room temperature. It is found that the SA completely ionizes and exists as monoanion in PVA. It exhibits a large Stokes shifted blue emission (10 000 cm(-1)) due to ESIPT and shows a decay time of 6.85 ns. On the other hand, Tb(3+) ion shows a very weak green emission and a decay time of approximately 641 mus in PVA film. Upon incorporating Tb(3+) ion in SA doped PVA film, both intensity and decay time of SA decrease and sensitized emission from Tb(+3) ion along with 3.8 mus rise time is observed. Energy transfer is found to take place both from excited singlet as well as triplet states. A brief description of the properties of the present system from the viewpoint of luminescent solar collector material is addressed.

  8. Formation mechanism and yield of molecules ejected from ZnS, CdS, and FeS2 during ion bombardment

    International Nuclear Information System (INIS)

    Nikzad, S.; Calaway, W.F.; Pellin, M.J.; Young, C.E.; Gruen, D.M.; Tombrello, T.A.

    1994-01-01

    Neutral species ejected from single crystals of ZnS, CdS, and FeS 2 during ion bombardment by 3 keV Ar + were detected by laser post-ionization followed by time-of-flight mass spectrometry. While metal atoms (Fe, Zn, Cd) and S 2 were the dominant species observed, substantial amounts of S, FeS, Zn 2 , ZnS, Cd 2 , and CdS were also detected. The experimental results demonstrate that molecules represent a larger fraction of the sputtered yield than was previously believed from secondary ion mass spectrometry experiments. In addition, the data suggest that the molecules are not necessarily formed from adjacent atoms in the solid and that a modified form of the recombination model could provide a mechanism for their formation

  9. Highly effective removal of mercury and lead ions from wastewater by mercaptoamine-functionalised silica-coated magnetic nano-adsorbents: Behaviours and mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Bao, Shuangyou; Li, Kai; Ning, Ping [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, YunNan, KunMing, 650500 (China); Peng, Jinhui [Faculty of Metallurgical and Energy, Kunming University of Science and Technology, YunNan, KunMing 650500 (China); Jin, Xu [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, YunNan, KunMing, 650500 (China); Tang, Lihong, E-mail: luckyman@163.com [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, YunNan, KunMing, 650500 (China)

    2017-01-30

    Highlights: • Highly effective removal of Hg(II) and Pb(II) ions from wastewater. • This adsorbent had multiple adsorption sites (sulfur and amine sites) on the surface. • This adsorbent had better tolerance to low pH for removal of Hg(II). • This new hybrid material was much cheaper and no secondary pollution. • This adsorbent shows notable advantages including easy separation and recyclability. - Abstract: A novel hybrid material was fabricated using mercaptoamine-functionalised silica-coated magnetic nanoparticles (MAF-SCMNPs) and was effective in the extraction and recovery of mercury and lead ions from wastewater. The properties of this new magnetic material were explored using various characterisation and analysis methods. Adsorbent amounts, pH levels and initial concentrations were optimised to improve removal efficiency. Additionally, kinetics, thermodynamics and adsorption isotherms were investigated to determine the mechanism by which the fabricated MAF-SCMNPs adsorb heavy metal ions. The results revealed that MAF-SCMNPs were acid-resistant. Sorption likely occurred by chelation through the amine group and ion exchange between heavy metal ions and thiol functional groups on the nanoadsorbent surface. The equilibrium was attained within 120 min, and the adsorption kinetics showed pseudo-second-order (R{sup 2} > 0.99). The mercury and lead adsorption isotherms were in agreement with the Freundlich model, displaying maximum adsorption capacities of 355 and 292 mg/g, respectively. The maximum adsorptions took place at pH 5–6 and 6–7 for Hg(II) and Pb(II), respectively. The maximum adsorptions were observed at 10 mg and 12 mg adsorbent quantities for Hg(II) and Pb(II), respectively. The adsorption process was endothermic and spontaneous within the temperature range of 298–318 K. This work demonstrates a unique magnetic nano-adsorbent for the removal of Hg(II) and Pb(II) from wastewater.

  10. Two-electron excitation in slow ion-atom collisions: Excitation mechanisms and interferences among autoionizing states

    International Nuclear Information System (INIS)

    Kimura, M.; Rice Univ., Houston, TX

    1990-01-01

    The two-electron capture or excitation process resulting from collisions of H + and O 6+ ions with He atoms in the energy range from 0.5 keV/amu to 5 keV/amu is studied within a molecular representation. The collision dynamics for formation of doubly excited O 4+ ions and He** atoms and their (n ell, n'ell ') populations are analyzed in conjunction with electron correlations. Autoionizing states thus formed decay through the Auger process. An experimental study of an ejected electron energy spectrum shows ample structures in addition to two characteristic peaks that are identified by atomic and molecular autoionizations. These structures are attributable to various interferences among electronic states and trajectories. We examine the dominant sources of the interferences. 12 refs., 5 figs

  11. Direct observation and mechanism for enhanced field emission sites in platinum ion implanted/post-annealed ultrananocrystalline diamond films

    Energy Technology Data Exchange (ETDEWEB)

    Panda, Kalpataru, E-mail: panda@afm.eei.eng.osaka-u.ac.jp, E-mail: phy.kalpa@gmail.com; Inami, Eiichi; Sugimoto, Yoshiaki [Graduate School of Engineering, Osaka University, 2-1, Yamada-Oka, Suita, Osaka 565-0871 (Japan); Sankaran, Kamatchi J.; Tai, Nyan Hwa [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Lin, I-Nan, E-mail: inanlin@mail.tku.edu.tw [Department of Physics, Tamkang University, Tamsui 251, Taiwan (China)

    2014-10-20

    Enhanced electron field emission (EFE) properties for ultrananocrystalline diamond (UNCD) films upon platinum (Pt) ion implantation and subsequent post-annealing processes is reported, viz., low turn-on field of 4.17 V/μm with high EFE current density of 5.08 mA/cm{sup 2} at an applied field of 7.0 V/μm. Current imaging tunneling spectroscopy (CITS) mode in scanning tunneling spectroscopy directly revealed the increased electron emission sites density for Pt ion implanted/post-annealed UNCD films than the pristine one. The high resolution CITS mapping and local current–voltage characteristic curves demonstrated that the electrons are dominantly emitted from the diamond grain boundaries and Pt nanoparticles.

  12. Direct observation and mechanism for enhanced field emission sites in platinum ion implanted/post-annealed ultrananocrystalline diamond films

    International Nuclear Information System (INIS)

    Panda, Kalpataru; Inami, Eiichi; Sugimoto, Yoshiaki; Sankaran, Kamatchi J.; Tai, Nyan Hwa; Lin, I-Nan

    2014-01-01

    Enhanced electron field emission (EFE) properties for ultrananocrystalline diamond (UNCD) films upon platinum (Pt) ion implantation and subsequent post-annealing processes is reported, viz., low turn-on field of 4.17 V/μm with high EFE current density of 5.08 mA/cm 2 at an applied field of 7.0 V/μm. Current imaging tunneling spectroscopy (CITS) mode in scanning tunneling spectroscopy directly revealed the increased electron emission sites density for Pt ion implanted/post-annealed UNCD films than the pristine one. The high resolution CITS mapping and local current–voltage characteristic curves demonstrated that the electrons are dominantly emitted from the diamond grain boundaries and Pt nanoparticles.

  13. Investigation on degradation mechanism of ion exchange membrane immersed in highly concentrated tritiated water under the Broader Approach Activities

    Energy Technology Data Exchange (ETDEWEB)

    Iwai, Yasunori, E-mail: iwai.yasunori@jaea.go.jp; Sato, Katsumi; Yamanishi, Toshihiko

    2014-10-15

    Highlights: • Endurance of Nafion ion exchange membrane immersed into 1.38 × 10{sup 12} Bq/kg of highly concentrated tritiated water has been demonstrated. • The formation of free hydrophobic free products by reactions between radicals on the membrane and oxygen caused the decrease in ionic conductivity. • From the {sup 19}F NMR spectrum, no distinctive degradation in the membrane structure by interaction with tritium was measured. - Abstract: The ion exchange membrane is a key material for electrolysis cells of the water detritiation system. Durability of ion exchange membrane has been demonstrated under the Broader Approach Activities. Long-term exposure of Nafion{sup ®} ion exchange membrane in 1.38 × 10{sup 12} Bq/kg of tritiated water was conducted at room temperature for up to 2 years. The ionic conductivity of Nafion{sup ®} membrane after immersed in tritiated water was changed. The change in color of membrane from colorless to yellowish was caused by reactions of radicals on the polymer and oxygen molecules in air. Infrared Fourier transform spectrum of a yellowish membrane revealed a small peak for bending vibration of C-H situated at 1437 cm{sup −1}, demonstrating the formation of hydrophobic functional group in the membrane. The hydrophilic network in Nafion{sup ®} membrane was partially obstructed by the hydrophobic free products. This caused the decrease in ionic conductivity. The peak for bending vibration was clearly eliminated in the spectrum of the membrane after treatment by acid for removal of free products. The high-resolution solid state {sup 19}F NMR spectrum of a membrane after immersed in tritiated water was similar to that of a membrane irradiated with gamma-rays. From the {sup 19}F NMR spectrum, no distinctive degradation in the membrane structure by interaction with tritium was measured.

  14. Investigation on degradation mechanism of ion exchange membrane immersed in highly concentrated tritiated water under the Broader Approach Activities

    International Nuclear Information System (INIS)

    Iwai, Yasunori; Sato, Katsumi; Yamanishi, Toshihiko

    2014-01-01

    Highlights: • Endurance of Nafion ion exchange membrane immersed into 1.38 × 10 12 Bq/kg of highly concentrated tritiated water has been demonstrated. • The formation of free hydrophobic free products by reactions between radicals on the membrane and oxygen caused the decrease in ionic conductivity. • From the 19 F NMR spectrum, no distinctive degradation in the membrane structure by interaction with tritium was measured. - Abstract: The ion exchange membrane is a key material for electrolysis cells of the water detritiation system. Durability of ion exchange membrane has been demonstrated under the Broader Approach Activities. Long-term exposure of Nafion ® ion exchange membrane in 1.38 × 10 12 Bq/kg of tritiated water was conducted at room temperature for up to 2 years. The ionic conductivity of Nafion ® membrane after immersed in tritiated water was changed. The change in color of membrane from colorless to yellowish was caused by reactions of radicals on the polymer and oxygen molecules in air. Infrared Fourier transform spectrum of a yellowish membrane revealed a small peak for bending vibration of C-H situated at 1437 cm −1 , demonstrating the formation of hydrophobic functional group in the membrane. The hydrophilic network in Nafion ® membrane was partially obstructed by the hydrophobic free products. This caused the decrease in ionic conductivity. The peak for bending vibration was clearly eliminated in the spectrum of the membrane after treatment by acid for removal of free products. The high-resolution solid state 19 F NMR spectrum of a membrane after immersed in tritiated water was similar to that of a membrane irradiated with gamma-rays. From the 19 F NMR spectrum, no distinctive degradation in the membrane structure by interaction with tritium was measured

  15. The wire array Z-pinch: an efficient x-ray source for ICF and a new ion heating mechanism

    Science.gov (United States)

    Haines, M. G.

    2008-10-01

    The Z-pinch provides an efficient x-ray source for driving a hohlraum for inertial confinement fusion. The basic physics of wire-array implosions is reviewed. It can be understood in several sequential stages. Firstly, the wires heat and form a surrounding vapour which ionizes, causing the current to transfer to this lower resistance. The J×B global force leads to ejection of this plasma towards the axis to form a precursor plasma. The wire cores continue to ablate due to the heat flux from the Joule-heated nearby plasma. The cooling of this plasma by the wire-cores leads to a low magnetic Reynolds number so that the precursor plasma carries little or no current. When gaps appear in the liquid/vapour cores the plasma temperature and Reynolds number rise and this plasma accelerates in towards the axis carrying the current. This is the main implosion, and it sweeps up earlier ablated plasma, which acts to reduce Rayleigh-Taylor growth. At stagnation, the ion kinetic energy is thermalized and equipartition heats the electrons, which then radiate in a 5 ns pulse. In some conditions the energy radiated by soft x-rays exceeds the ion kinetic energy by a factor of 3 or 4. A theory has been developed to explain this in which fine-scale, fast growing m= 0 MHD instabilities grow to saturation, viscous dissipation of which leads to ion heating, followed by equipartition. World record ion temperatures of 2-3 billion Kelvin were predicted, and measured at Sandia National Laboratory. Lastly, progress in capsule implosions and in application to inertial fusion energy is reported.

  16. Enhanced selective removal of Cu(II) from aqueous solution by novel polyethylenimine-functionalized ion imprinted hydrogel: Behaviors and mechanisms.

    Science.gov (United States)

    Wang, Jingjing; Li, Zhengkui

    2015-12-30

    A novel polyethylenimine-functionalized ion-imprinted hydrogel (Cu(II)-p(PEI/HEA)) was newly synthesized by (60)Co-γ-induced polymerization for the selective removal of Cu(II) from aqueous solution. The adsorption performances including the adsorption capacity and selectivity of the novel hydrogel were much better than those of similar adsorbents reported. The hydrogel was characterized via scanning electron microscope, transmission electron microscopy, Fourier transform infrared spectra, thermal gravimetric analysis and X-ray photoelectron spectroscopy to determine the structure and mechanisms. The adsorption process was pH and temperature sensitive, better fitted to pseudo-second-order equation, and was Langmuir monolayer adsorption. The maximum adsorption capacity for Cu(II) was 40.00 mg/g. The selectivity coefficients of ion-imprinted hydrogel for Cu(II)/Pb(II), Cu(II)/Cd(II) and Cu(II)/Ni(II) were 55.09, 107.47 and 63.12, respectively, which were 3.93, 4.25 and 3.53 times greater than those of non-imprinted hydrogel, respectively. Moreover, the adsorption capacity of Cu(II)-p(PEI/HEA) could still keep more than 85% after four adsorption-desorption cycles. Because of such enhanced selective removal performance and excellent regeneration property, Cu(II)-p(PEI/HEA) is a promising adsorbent for the selective removal of copper ions from wastewater. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Improvements of anti-corrosion and mechanical properties of NiTi orthopedic materials by acetylene, nitrogen and oxygen plasma immersion ion implantation

    International Nuclear Information System (INIS)

    Poon, Ray W.Y.; Ho, Joan P.Y.; Liu Xuanyong; Chung, C.Y.; Chu, Paul K.; Yeung, Kelvin W.K.; Lu, William W.; Cheung, Kenneth M.C.

    2005-01-01

    Nickel-titanium shape memory alloys (NiTi) are useful materials in orthopedics and orthodontics due to their unique super-elasticity and shape memory effects. However, the problem associated with the release of harmful Ni ions to human tissues and fluids has been raising safety concern. Hence, it is necessary to produce a surface barrier to impede the out-diffusion of Ni ions from the materials. We have conducted acetylene, nitrogen and oxygen plasma immersion ion implantation (PIII) into NiTi alloys in an attempt to improve the surface properties. All the implanted and annealed samples surfaces exhibit outstanding corrosion and Ni out-diffusion resistance. Besides, the implanted layers are mechanically stronger than the substrate underneath. XPS analyses disclose that the layer formed by C 2 H 2 PIII is composed of mainly TiC x with increasing Ti to C concentration ratios towards the bulk. The nitrogen PIII layer is observed to be TiN, whereas the oxygen PIII layer is composed of oxides of Ti 4+ , Ti 3+ and Ti 2+

  18. Ion conduction mechanisms and thermal properties of hydrated and anhydrous phosphoric acids studied with 1H, 2H, and 31P NMR.

    Science.gov (United States)

    Aihara, Yuichi; Sonai, Atsuo; Hattori, Mineyuki; Hayamizu, Kikuko

    2006-12-14

    To understand the behaviors of phosphoric acids in fuel cells, the ion conduction mechanisms of phosphoric acids in condensed states without free water and in a monomer state with water were studied by measuring the ionic conductivity (sigma) using AC impedance, thermal properties, and self-diffusion coefficients (D) and spin-lattice relaxation times (T1) with multinuclear NMR. The self-diffusion coefficient of the protons (H+ or H3O+), H2O, and H located around the phosphate were always larger than the diffusion coefficients of the phosphates and the disparity increased with increasing phosphate concentration. The diffusion coefficients of the samples containing D2O paralleled those in the protonated samples. Since the 1H NMR T1 values exhibited a minimum with temperature, it was possible to determine the correlation times and they were found to be of nanosecond order for a distance of nanometer order for a flip. The agreement of the ionic conductivities measured directly and those calculated from the diffusion coefficients indicates that the ion conduction obeys the Nernst-Einstein equation in the condensed phosphoric acids. The proton diffusion plays a dominant role in the ion conduction, especially in the condensed phosphoric acids.

  19. Search for a double-collision mechanism as a possible interpretation for ionization by low-energy light-ion impact

    International Nuclear Information System (INIS)

    Avaldi, L.; Magno, C.; Milazzo, M.; Rota, A.

    1981-01-01

    In a previous work the authors proposed, in the frame of the binary-encounter approximation (BEA) of the inner-shell atomic ionization by ion bombardment, a correction to the ion energy in order to account for the Coulomb repulsion by the atomic nucleus. Such corrected cross-section values numerically coincide with those of the PWBA model, but, as a consequence of the correction, they obtain a much higher-energy ionization threshold than the binding energy, which has no experimental evidence. In the present work it is shown that ionization below such a threshold can be explained by a double-collision mechanism which involves intermediate electron states and can directly be derived from the impulsive nature of the binary-collision model. Calculations have been performed by supposing a statistical independence between these two collisions. Relativistic corrections have not been taken into account. A remarkable agreement is obtained between the curves corresponding to single- and double-collision classical processes, since they match at the bombarding threshold ion energy. (author)

  20. Effect of additional sample bias in Meshed Plasma Immersion Ion Deposition (MPIID) on microstructural, surface and mechanical properties of Si-DLC films

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Mingzhong [State Key Laboratory of Advanced Welding & Joining, Harbin Institute of Technology, Harbin 150001 (China); School of Materials Science & Engineering, Jiamusi University, Jiamusi 154007 (China); Tian, Xiubo, E-mail: xiubotian@163.com [State Key Laboratory of Advanced Welding & Joining, Harbin Institute of Technology, Harbin 150001 (China); Li, Muqin [School of Materials Science & Engineering, Jiamusi University, Jiamusi 154007 (China); Gong, Chunzhi [State Key Laboratory of Advanced Welding & Joining, Harbin Institute of Technology, Harbin 150001 (China); Wei, Ronghua [Southwest Research Institute, San Antonio, TX 78238 (United States)

    2016-07-15

    Highlights: • A novel Meshed Plasma Immersion Ion Deposition is proposed. • The deposited Si-DLC films possess denser structures and high deposition rate. • It is attributed to ion bombardment of the deposited films. • The ion energy can be independently controlled by an additional bias (novel set up). - Abstract: Meshed Plasma Immersion Ion Deposition (MPIID) using cage-like hollow cathode discharge is a modified process of conventional PIID, but it allows the deposition of thick diamond-like carbon (DLC) films (up to 50 μm) at a high deposition rate (up to 6.5 μm/h). To further improve the DLC film properties, a new approach to the MPIID process is proposed, in which the energy of ions incident to the sample surface can be independently controlled by an additional voltage applied between the samples and the metal meshed cage. In this study, the meshed cage was biased with a pulsed DC power supply at −1350 V peak voltage for the plasma generation, while the samples inside the cage were biased with a DC voltage from 0 V to −500 V with respect to the cage to study its effect. Si-DLC films were synthesized with a mixture of Ar, C{sub 2}H{sub 2} and tetramethylsilane (TMS). After the depositions, scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray photoelectrons spectroscopy (XPS), Raman spectroscopy and nanoindentation were used to study the morphology, surface roughness, chemical bonding and structure, and the surface hardness as well as the modulus of elasticity of the Si-DLC films. It was observed that the intense ion bombardment significantly densified the films, reduced the surface roughness, reduced the H and Si contents, and increased the nanohardness (H) and modulus of elasticity (E), whereas the deposition rate decreased slightly. Using the H and E data, high values of H{sup 3}/E{sup 2} and H/E were obtained on the biased films, indicating the potential excellent mechanical and tribological properties of the films. In this

  1. Mechanics

    CERN Document Server

    Hartog, J P Den

    1961-01-01

    First published over 40 years ago, this work has achieved the status of a classic among introductory texts on mechanics. Den Hartog is known for his lively, discursive and often witty presentations of all the fundamental material of both statics and dynamics (and considerable more advanced material) in new, original ways that provide students with insights into mechanical relationships that other books do not always succeed in conveying. On the other hand, the work is so replete with engineering applications and actual design problems that it is as valuable as a reference to the practicing e

  2. Investigation of morphological, structural, and mechanical characteristics of Zircaloy-4 irradiated with 3.5 MeV hydrogen ions beam

    Science.gov (United States)

    Rafique, Mohsin; Butt, M. Z.; Ahmad, Sajjad

    2017-09-01

    Zircaloy-4 specimens were irradiated with 3.5 MeV hydrogen ions (dose range: 1  ×  1013 H+1 cm-2 to 1  ×  1015 H+1 cm-2) using a Pelletron accelerator. FESEM studies reveal formation of hydrogen micro-bubbles, bubbles induced blisters of irregular shapes, and development of cracks on the specimen surface, as in the case of pure zirconium. However, for the highest irradiation dose of 1  ×  1015 H+1 cm-2, agglomeration of flower-shape blisters is observed. XRD analysis shows that the most preferentially oriented crystallographic plane is (0 0 4) with texture coefficient values 1.832-2.308 depending on the ions dose. Its diffraction peak intensity first decreases with the increase in ions dose up to 5  ×  1013 H+1 cm-2 and later increases up to 1  ×  1015 H+1 cm-2. Opposite is found in case of diffraction peak width. Crystallite size and lattice strain determined by Williamson-Hall analysis display a linear relationship between the two with positive slope. Mechanical strength, namely yield stress (YS), ultimate tensile strength (UTS), and fracture stress (FS), increases sharply with ions dose up to 5  ×  1013 H+1 cm-2. For 1  ×  1014 H+1 cm-2 dose there is a sudden drop of stress to a lowest value and then a slow steady increase in stress up to the highest dose 1  ×  1015 H+1 cm-2. Same pattern is followed by uniform elongation and total elongation. All three stress parameters YS, UTS, and FS follow Inverse Hall-Petch relation.

  3. Charge mechanism analysis of lithium ion secondary battery. X-ray absorption spectroscopy and first-principles calculations

    International Nuclear Information System (INIS)

    Kubobuchi, Kei; Imai, Hideto

    2015-01-01

    Redox reaction behaviors of a lithium ion secondary battery were investigated by K-edge in-situ XANES and L-edge XANES measurements combined with ab initio XANES simulation. During the charge process, the shape of K-edge XANES spectra was found to change, suggesting contribution of Mn 3d electron to charge and discharge. The detailed analysis based on first-principles electronic structure calculation and ab initio XANES simulation, however, indicated that valence change of Mn is little and rather O largely contribute to the reaction. (author)

  4. Molecular Mechanisms of Ultrafiltration Membrane Fouling in Polymer-Flooding Wastewater Treatment: Role of Ions in Polymeric Fouling.

    Science.gov (United States)

    Liu, Guicai; Yu, Shuili; Yang, Haijun; Hu, Jun; Zhang, Yi; He, Bo; Li, Lei; Liu, Zhiyuan

    2016-02-02

    Polymer (i.e., anionic polyacrylamide (APAM)) fouling of polyvinylidene fluoride (PVDF) ultrafiltration (UF) membranes and its relationships to intermolecular interactions were investigated using atomic force microscopy (AFM). Distinct relations were obtained between the AFM force spectroscopy measurements and calculated fouling resistance over the concentration polarization layer (CPL) and gel layer (GL). The measured maximum adhesion forces (Fad,max) were closely correlated with the CPL resistance (Rp), and the proposed molecular packing property (largely based on the shape of AFM force spectroscopy curve) of the APAM chains was related to the GL resistance (Rg). Calcium ions (Ca(2+)) and sodium ions (Na(+)) caused more severe fouling. In the presence of Ca(2+), the large Rp corresponded to high foulant-foulant Fad,max, resulting in high flux loss. In addition, the Rg with Ca(2+) was minor, but the flux recovery rate after chemical cleaning was the lowest, indicating that Ca(2+) created more challenges in GL cleaning. With Na(+), the fouling behavior was complicated and concentration-dependent. The GL structures with Na(+), which might correspond to the proposed molecular packing states among APAM chains, played essential roles in membrane fouling and GL cleaning.

  5. Interaction of metal ions and amino acids - Possible mechanisms for the adsorption of amino acids on homoionic smectite clays

    Science.gov (United States)

    Gupta, A.; Loew, G. H.; Lawless, J.

    1983-01-01

    A semiempirical molecular orbital method is used to characterize the binding of amino acids to hexahydrated Cu(2+) and Ni(2+), a process presumed to occur when they are adsorbed in the interlamellar space of homoionic smectite clays. Five alpha-amino acids, beta-alanine, and gamma-aminobutyric acid were used to investigate the metal ion and amino acid specificity in binding. It was assumed that the alpha, beta, and gamma-amino acids would bind as bidentate anionic ligands, forming either 1:1 or 1:2 six-coordinated five, six, and seven-membered-ring chelate complexes, respectively. Energies of complex formation, optimized geometries, and electron and spin distribution were determined; and steric constraints of binding of the amino acids to the ion-exchanged cations in the interlamellar spacing of a clay were examined. Results indicate that hexahydrated Cu(2+) forms more stable complexes than hexahydrated Ni(2+) with all the amino acids studied. However, among these amino acids, complex formation does not favor the adsorption of the biological subset. Calculated energetics of complex formation and steric constraints are shown to predict that 1:1 rather than 1:2 metal-amino acid complexes are generally favored in the clay.

  6. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  7. QUANTUM MECHANICAL STUDY OF THE COMPETITIVE HYDRATION BETWEEN PROTONATED QUINAZOLINE AND LI+, NA+, AND CA2+ IONS

    Science.gov (United States)

    Hydration reactions are fundamental to many biological functions and environmental processes. The energetics of hydration of inorganic and organic chemical species influences their fate and transport behavior in the environment. In this study, gas-phase quantum mechanical calcula...

  8. Negative ion sources for tandem accelerator

    International Nuclear Information System (INIS)

    Minehara, Eisuke

    1980-08-01

    Four kinds of negative ion sources (direct extraction Duoplasmatron ion source, radial extraction Penniing ion source, lithium charge exchange ion source and Middleton-type sputter ion source) have been installed in the JAERI tandem accelerator. The ion sources can generate many negative ions ranging from Hydrogen to Uranium with the exception of Ne, Ar, Kr, Xe and Rn. Discussions presented in this report include mechanisms of negative ion formation, electron affinity and stability of negative ions, performance of the ion sources and materials used for negative ion production. Finally, the author will discuss difficult problems to be overcome in order to get any negative ion sufficiently. (author)

  9. Surface negative ion production in ion sources

    International Nuclear Information System (INIS)

    Belchenko, Y.

    1993-01-01

    Negative ion sources and the mechanisms for negative ion production are reviewed. Several classes of sources with surface origin of negative ions are examined in detail: surface-plasma sources where ion production occurs on the electrode in contact with the plasma, and ''pure surface'' sources where ion production occurs due to conversion or desorption processes. Negative ion production by backscattering, impact desorption, and electron- and photo-stimulated desorption are discussed. The experimental efficiencies of intense surface negative ion production realized on electrodes contacted with hydrogen-cesium or pure hydrogen gas-discharge plasma are compared. Recent modifications of surface-plasma sources developed for accelerator and fusion applications are reviewed in detail

  10. Study of the kinetics and mechanism of the dissolution of PUO2 by Cr(II) ion in acidic medium

    International Nuclear Information System (INIS)

    Machuron-Mandard, X.

    1991-11-01

    The study of the dissolution of actinides oxides is a topic of particular importance in nuclear energy production. The present study deals with the understanding of the reductive dissolution of PuO 2 in sulfuric acid media under the action of Cr 2+ aq ion. In the first chapter of the document, crystallographic and electronic properties of PuO 2 are described, followed by informations related to its dissolution in acidic media. The second chapter concerns the presentation of the different theories usable to interpret the kinetics of heterogeneous reaction and those for the understanding of electronic transfer applied to semi-conductors. With the help of the above mathematical tools an empirical law rate is established and a reactional model proposed. It appears that the electronic transfer is purely of the heterogenous nature and that the limiting step of the overall process corresponds certainly to the rupture of plutonium oxygen bond [fr

  11. Effects of ion-implanted C on the microstructure and surface mechanical properties of Fe alloys implanted with Ti

    International Nuclear Information System (INIS)

    Follstaedt, D.M.; Knapp, J.A.; Pope, L.E.; Yost, F.G.; Picraux, S.T.

    1984-01-01

    The microstructural and tribological effects of ion implanting C into Ti-implanted, Fe-based alloys are examined and compared to the influence of C introduced by vacuum carburization during Ti implantation alone. The amorphous surface alloy formed by Ti implantation of pure Fe increases in thickness when additional C is implanted at depths containing Ti but beyond the range of carburization. Pin-on-disc tests of 15-5 PH stainless steel show that implantation of both Ti and C reduces friction significantly under conditions where no reduction is obtained by Ti implantation alone; wear depths are also less when C is implanted. All available experimental results can be accounted for by consideration of the thickness and Ti concentration of the amorphous Fe-Ti-C alloy. The thicker amorphous layer on samples implanted with additional C extends tribological benefits to more severe wear regimes

  12. {311} Defects in ion-implanted silicon: The cause of transient diffusion, and a mechanism for dislocation formation

    International Nuclear Information System (INIS)

    Eaglesham, D.J.; Stolk, P.A.; Cheng, J.Y.; Gossmann, H.J.; Poate, J.M.; Haynes, T.E.

    1995-04-01

    Ion implantation is used at several critical stages of Si integrated circuit manufacturing. The authors show how {311} defects arising after implantation are responsible for both enhanced dopant diffusion during annealing, and stable dislocations post-anneal. They observe {311} defects in the earliest stages of an anneal. They subsequently undergo rapid Ostwald ripening and evaporation. At low implant doses evaporation dominates, and they can quantitatively relate the interstitials emitted from these defects to the transient enhancement in diffusivity of dopants such as B and P. At higher doses Ostwald ripening is significant, and they observe the defects to undergo a series of unfaulting reactions to form both Frank loops and perfect dislocations. They demonstrate the ability to control both diffusion and dislocations by the addition of small amounts of carbon impurities

  13. Functional anatomy and ion regulatory mechanisms of the antennal gland in a semi-terrestrial crab, Ocypode stimpsoni

    Directory of Open Access Journals (Sweden)

    Jyuan-Ru Tsai

    2014-05-01

    Full Text Available Brachyuran crabs from diverse habitats show great differences in their osmoregulatory processes, especially in terms of the structural and physiological characteristics of the osmoregulatory organs. In crustaceans, the antennal glands are known to be important in osmoregulation, and they play a functional role analogous to that of the vertebrate kidney. Nevertheless, the detailed structure and function of the antennal glands in different species have rarely been described. The aim of this study is to investigate the role of the antennal gland in ion regulation by examining the ultrastructure of the cells and the distribution of the ion regulatory proteins in each cell type in the antennal gland of a semi-terrestrial crab. The results showed that Na+, K+-ATPase activity significantly increased in the antennal gland after a 4-day acclimation in dilute seawater and returned to its original (day 0 level after 7 days. Three major types of cells were identified in the antennal gland, including coelomic cells (COEs, labyrinthine cells (LBRs and end-labyrinthine cells (ELBRs. The proximal tubular region (PT and distal tubular region (DT of the antennal gland consist of LBRs and COEs, whereas the end tubular region (ET consists of all three types of cells, with fewer COEs and more ELBRs. We found a non-uniform distribution of NKA immunoreactivity, with increasing intensity from the proximal to the distal regions of the antennal gland. We summarise our study with a proposed model for the urine reprocessing pathway and the role of each cell type or segment of the antennal gland.

  14. Degradation of lithium ion batteries employing graphite negatives and nickel-cobalt-manganese oxide + spinel manganese oxide positives: Part 2, chemical-mechanical degradation model

    Science.gov (United States)

    Purewal, Justin; Wang, John; Graetz, Jason; Soukiazian, Souren; Tataria, Harshad; Verbrugge, Mark W.

    2014-12-01

    Capacity fade is reported for 1.5 Ah Li-ion batteries containing a mixture of Li-Ni-Co-Mn oxide (NCM) + Li-Mn oxide spinel (LMO) as positive electrode material and a graphite negative electrode. The batteries were cycled at a wide range of temperatures (10 °C-46 °C) and discharge currents (0.5C-6.5C). The measured capacity losses were fit to a simple physics-based model which calculates lithium inventory loss from two related mechanisms: (1) mechanical degradation at the graphite anode particle surface caused by diffusion-induced stresses (DIS) and (2) chemical degradation caused by lithium loss to continued growth of the solid-electrolyte interphase (SEI). These two mechanisms are coupled because lithium is consumed through SEI formation on newly exposed crack surfaces. The growth of crack surface area is modeled as a fatigue phenomenon due to the cyclic stresses generated by repeated lithium insertion and de-insertion of graphite particles. This coupled chemical-mechanical degradation model is consistent with the observed capacity loss features for the NCM + LMO/graphite cells.

  15. FeSi4P4: A novel negative electrode with atypical electrochemical mechanism for Li and Na-ion batteries

    Science.gov (United States)

    Coquil, Gaël; Fullenwarth, Julien; Grinbom, Gal; Sougrati, Moulay Tahar; Stievano, Lorenzo; Zitoun, David; Monconduit, Laure

    2017-12-01

    The electrochemical mechanism and performance of FeSi4P4, vs. Na and Li were studied using a combination of operando X-ray diffraction, 57Fe Mössbauer spectroscopy, and SQUID magnetometry. This silicon- and phosphorous-rich material exhibits a high capacity of 1750 mAh/g, retaining 1120 mAh/g after 40 cycles, and reacts through an original reversible mechanism surprisingly involving only slight changes in the chemical environment of the iron. Magnetic measurements and 57Fe Mössbauer spectroscopy at low temperature reveal the reversible but incomplete change of the magnetic moment upon charge and discharge. Such a mild reversible process without drastic phase transition (with the exception of the crystalline to amorphous transition during the first lithiation) can explain the satisfying capacity retention. The electrochemical mechanism appears thus to be significantly different from the classical conversion or alloying/dealloying mechanisms usually observed in Lithium ion batteries for p-group element based materials. The same iron silicon phosphide electrode shows also interesting but significantly lower performance vs. Na, with a limited capacity retention 350 mAh/g.

  16. Mechanical measurements on lithium phosphorous oxynitride coated silicon thin film electrodes for lithium-ion batteries during lithiation and delithiation

    Energy Technology Data Exchange (ETDEWEB)

    Al-Obeidi, Ahmed, E-mail: alobeidi@mit.edu; Thompson, Carl V., E-mail: reiner.moenig@kit.edu, E-mail: cthomp@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States); Kramer, Dominik, E-mail: dominik.kramer@kit.edu; Mönig, Reiner, E-mail: reiner.moenig@kit.edu, E-mail: cthomp@mit.edu [Institute for Applied Materials, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU), Helmholtzstraße 11, 89081 Ulm (Germany); Boles, Steven T., E-mail: steven.t.boles@polyu.edu.hk [Institute for Applied Materials, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Hong Kong Polytechnic University, 11 Yuk Choi Rd, Hung Hom (Hong Kong)

    2016-08-15

    The development of large stresses during lithiation and delithiation drives mechanical and chemical degradation processes (cracking and electrolyte decomposition) in thin film silicon anodes that complicate the study of normal electrochemical and mechanical processes. To reduce these effects, lithium phosphorous oxynitride (LiPON) coatings were applied to silicon thin film electrodes. Applying a LiPON coating has two purposes. First, the coating acts as a stable artificial solid electrolyte interphase. Second, it limits mechanical degradation by retaining the electrode's planar morphology during cycling. The development of stress in LiPON-coated electrodes was monitored using substrate curvature measurements. LiPON-coated electrodes displayed highly reproducible cycle-to-cycle behavior, unlike uncoated electrodes which had poorer coulombic efficiency and exhibited a continual loss in stress magnitude with continued cycling due to film fracture. The improved mechanical stability of the coated silicon electrodes allowed for a better investigation of rate effects and variations of mechanical properties during electrochemical cycling.

  17. Adsorption performances and mechanisms of the newly synthesized N,N'-di (carboxymethyl) dithiocarbamate chelating resin toward divalent heavy metal ions from aqueous media

    International Nuclear Information System (INIS)

    Jing Xiaosheng; Liu Fuqiang; Yang Xin; Ling Panpan; Li Lanjuan; Long Chao; Li Aimin

    2009-01-01

    N,N'-di (carboxymethyl) dithiocarbamate chelating resin (PSDC) was synthesized by anchoring the chelating agent of N,N'-di (carboxymethyl) dithiocarbamate to the chloromethylated PS-DVB (Cl-PS-DVB) matrix, as a new adsorbent for removing divalent heavy metal ions from waste-stream. The physicochemical structures of Cl-PS-DVB and PSDC were elaborately characterized using Fourier transform infrared spectroscopy (FT-IR), elemental analysis (EA), and were further morphologically characterized using BET and BJH methods. The adsorption performances of PSDC towards heavy metals such as Cu(II), Pb(II) and Ni(II) were systematically investigated, based upon which the adsorption mechanisms were deeply exploited. For the above target, the classic batch adsorption experiments were conducted to explore the kinetics and isotherms of the removal processes with pH-value, initial concentration, temperature, and contact time as the controlling parameters. The kinetic and isotherm data could be well elucidated with Lagergren-second-order equation and Langmuir model respectively. The strong affinity of PSDC toward these target soft acids could be well demonstrated with the electrostatic attraction and chelating interaction caused by IDA moiety and sulphur which were namely soft bases on the concept of hard and soft acids and bases (HASB). Thermodynamic parameters, involving ΔH o , ΔS o and ΔG o were also calculated from graphical interpretation of the experimental data. The standard heats of adsorption (ΔH o ) were found to be endothermic and the entropy change values (ΔS o ) were calculated to be positive for the adsorption of Cu(II), Pb(II) and Ni(II) ions onto the tested adsorbents. Negative values of ΔG o indicated that adsorption processes for all tested metal ions onto PSDC were spontaneous.

  18. Functional and compositional responses in soil microbial communities along two metal pollution gradients: does the level of historical pollution affect resistance against secondary stress?

    NARCIS (Netherlands)

    Azarbad, H.; Niklinska, M.; Nikiel, K.; van Straalen, N.M.; Röling, W.F.M.

    2015-01-01

    We examined how the exposure to secondary stressors affected the functional and compositional responses of microbial communities along two metal pollution gradients in Polish forests and whether responses were influenced by the level of metal pollution. Basal respiration rate and community

  19. [Role of calcium ions in the mechanism of action of acetylcholine on energy metabolism in rat liver mitochondria].

    Science.gov (United States)

    Vatamaniuk, M Z; Artym, V V; Kuka, O B; Doliba, M M; Shostakovs'ka, I V

    1996-01-01

    It is shown that administration of acetylcholine to animals (50 micrograms per 100 g of body weight) leads to the activation of respiration and oxidative phosphorylation in the rat liver mitochondria under oxidation of alpha-ketoglutarate; this effect depends on the concentration of calcium ions in the incubation medium of mitochondria. The rate of ADP-stimulated respiration of mitochondria of experimental animals reaches its maximum level under lower concentrations of Ca2+ than in the control animals. The results of investigation of dependence of acetyl choline effect on respiration of mitochondria on the concentration of alpha-ketoglutarate in calcium and calcium-free incubation medium have shown that the half-maximum effect of acetylcholine is observed in calcium medium at lower concentration of the substrate than in calcium-free medium. The latter indicates to the increase of affinity of alpha-ketoglutarate dehydrogenase to alpha-ketoglutarate under these conditions. It is found out that acetylcholine (1.10(-8) M) increases the rate of ADP- and Ca(2+)-stimulated respiration of mitochondria of isolated perfused rat liver, while mutual effect of verapamyl and niphedipin removes this effect.

  20. Dual-functional Memory and Threshold Resistive Switching Based on the Push-Pull Mechanism of Oxygen Ions

    KAUST Repository

    Huang, Yi-Jen

    2016-04-07

    The combination of nonvolatile memory switching and volatile threshold switching functions of transition metal oxides in crossbar memory arrays is of great potential for replacing charge-based flash memory in very-large-scale integration. Here, we show that the resistive switching material structure, (amorphous TiOx)/(Ag nanoparticles)/(polycrystalline TiOx), fabricated on the textured-FTO substrate with ITO as the top electrode exhibits both the memory switching and threshold switching functions. When the device is used for resistive switching, it is forming-free for resistive memory applications with low operation voltage (<±1 V) and self-compliance to current up to 50 μA. When it is used for threshold switching, the low threshold current is beneficial for improving the device selectivity. The variation of oxygen distribution measured by energy dispersive X-ray spectroscopy and scanning transmission electron microscopy indicates the formation or rupture of conducting filaments in the device at different resistance states. It is therefore suggested that the push and pull actions of oxygen ions in the amorphous TiOx and polycrystalline TiOx films during the voltage sweep account for the memory switching and threshold switching properties in the device.

  1. Reactions of N+ ions with ethylene: a theoretical study on the addition mechanism into the olefin double bond

    International Nuclear Information System (INIS)

    Di Stefano, Marco; Rosi, Marzio; Sgamellotti, Antonio

    2004-01-01

    The potential energy surface of the reaction between ethylene molecules and N + ions is investigated by using the DFT hybrid functional B3LYP with the 6-31G* basis set. The addition channel leading to the intermediate C 2 NH 4 + is considered. We study eighteen structures of the triplet C 2 NH 4 + cations and the transition states for their isomerizations. Then, we consider the release of a H atom to form the doublet C 2 NH 3 + cations. To obtain more accurate values of reaction energetics and barrier heights, coupled cluster CCSD(T) calculations with the 6-311G** basis set are performed on the B3LYP/6-31G* optimized geometries. The addition of N + into C 2 H 4 is computed as a barrierless process leading to the triplet 1-aziridynil cation which, by ring opening, can easily evolve into the 2-azaallyl isomer. This species can then release a hydrogen atom to form the 2-azaallene cation, process that is computed to be the most likely channel

  2. Aluminum surface corrosion and the mechanism of inhibitors using pH and metal ion selective imaging fiber bundles.

    Science.gov (United States)

    Szunerits, Sabine; Walt, David R

    2002-02-15

    The localized corrosion behavior of a galvanic aluminum copper couple was investigated by in situ fluorescence imaging with a fiber-optic imaging sensor. Three different, but complementary methods were used for visualizing remote corrosion sites, mapping the topography of the metal surface, and measuring local chemical concentrations of H+, OH-, and Al3+. The first method is based on a pH-sensitive imaging fiber, where the fluorescent dye SNAFL was covalently attached to the fiber's distal end. Fluorescence images were acquired as a function of time at different areas of the galvanic couple. In a second method, the fluorescent dye morin was immobilized on the fiber-optic imaging sensor, which allowed the in situ localization of corrosion processes on pure aluminum to be visualized over time by monitoring the release of Al3+. The development of fluorescence on the aluminum surface defined the areas associated with the anodic dissolution of aluminum. We also investigated the inhibition of corrosion of pure aluminum by CeCl3 and 8-hydroxyquinoline. The decrease in current, the decrease in the number of active sites on the aluminum surface, and the faster surface passivation are all consistent indications that cerium chloride and 8-hydroxyquinoline inhibit corrosion effectively. From the number and extent of corrosion sites and the release of aluminum ions monitored with the fiber, it was shown that 8-hydroxyquinoline is a more effective inhibitor than cerium chloride.

  3. Lithium ion batteries (NMC/graphite) cycling at 80 °C: Different electrolytes and related degradation mechanism

    Science.gov (United States)

    Genieser, R.; Ferrari, S.; Loveridge, M.; Beattie, S. D.; Beanland, R.; Amari, H.; West, G.; Bhagat, R.

    2018-01-01

    A comprehensive study on high temperature cycling (80 °C) of industrial manufactured Li-ion pouch cells (NMC-111/Graphite) filled with different electrolytes is introduced. Ageing processes such as capacity fade, resistance increase and gas generation are reduced by the choice of appropriate electrolyte formulations. However, even by using additive formulations designed for elevated temperatures a large resistance increase is observed after 200 cycles and more (which does not happen at 55 °C). Symmetrical EIS (Electrochemical Impedance Spectroscopy) shows that the cathodic charge transfer resistance is the main reason for this behaviour. Nonetheless most of the active Li is still available when cycling with suitable additives. No change of the cathode crystalline structure or a growth of the cathodic surface reconstruction layer is observed post cycling at 80 °C. Therefore a disintegration of NMC secondary particles is believed to be the main reason of the cell failure. A separation of single grains is leading to new decomposition and reconstruction layers between primary particles and an increased charge transfer resistance. Further approaches to improve the high temperature cycle stability of NMC based materials should therefore be aimed at the cathode particles morphology in combination with similar electrolyte formulations as used in this study.