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Sample records for charge-ordering bilayer splitting

  1. The effect of calcium on the properties of charged phospholipid bilayers

    DEFF Research Database (Denmark)

    Pedersen, U.R.; Leidy, Chad; Westh, P.

    2006-01-01

    We have performed molecular dynamics simulations to investigate the structure and dynamics of charged bilayers as well as the distribution of counterions at the bilayer interface. For this, we have considered the negatively charged di-myristoyl-phosphatidyl-glycerol (DMPG) and di-myristoyl-phosph...

  2. Quantum oscillation signatures of spin-orbit interactions controlling the residual nodal bilayer-splitting in underdoped high-Tc cuprates

    Science.gov (United States)

    Harrison, Neil; Shekhter, Arkady

    2015-03-01

    We investigate the origin of the small residual nodal bilayer-splitting in the underdoped high-Tc superconductor YBa2Cu3O6+x using the results of recently published angle-resolved quantum oscillation data [Sebastian et al., Nature 511, 61 (2014)]. A crucial clue to the origin of the residual bilayer-splitting is found to be provided by the anomalously small Zeeman-splitting of some of the observed cyclotron orbits. We show that such an anomalously Zeeman-splitting (or small effective g-factor) for a subset of orbits can be explained by spin-orbit interactions, which become significant in the nodal regions as a result of the vanishing bilayer coupling. The primary effect of spin-orbit interactions is to cause quasiparticles traversing the nodal region of the Brillouin zone to undergo a spin flip. We suggest that the Rashba-like spin-orbit interactions, naturally present in bilayer systems, have the right symmetry and magnitude to give rise to a network of coupled orbits consistent with experimental observations in underdoped YBa2Cu3O6+x. This work is supported by the DOEm BES proposal LANLF100, while the magnet lab is supported by the NSF and Florida State.

  3. Physico-chemical studies on the interaction of dendrimers with lipid bilayers. 1. Effect of dendrimer generation and liposome surface charge.

    Science.gov (United States)

    Roy, Biplab; Panda, Amiya Kumar; Parimi, Srinivas; Ametov, Igor; Barnes, Timothy; Prestidge, Clive A

    2014-01-01

    Studies on the interaction of different generation poly (amido amine) (PAMAM) dendrimers (2G, 4G and 6G) and liposomes of different compositions were carried out by a combined turbidity, dynamic light scattering and atomic force microscopic measurements. Liposomes comprising soy lecithin (SLC, negative surface charge), 1, 2-palmitoyl-sn-glycero-3-phosphatidylcholine (DPPC, mildly positive surface charge), 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol (DPPG, negatively charged) and a biologically simulated mixture of DPPC + DPPG (7:3, M/M, negatively charged) were used as model bilayers. 30 wt% cholesterol was used in each combination as it is known to control the fluidity of membrane bilayers. Silica was used as a negatively charged hard sphere model with an aim to compare the results. Both the turbidity and hydrodynamic diameter values of all the liposomes, except DPPC, passed through maxima upon the progressive addition of PAMAM; the effect was insignificant in case of DPPC. Formation of dendriosome, a complex formed between dendrimer and liposome, resulted in the charge reversal of the negatively charged liposomes. Interaction between PAMAM and liposome was found to be governed by electrostatic as well as hydrogen bonding. Generation dependent PAMAM activity followed the order: 6G >4G>2G in terms of overall dendrimer concentration. However, interestingly, the order was reverse when PAMAM activity was considered in terms of total end group concentrations. AFM studies reveal the rupture of bilayer structure upon addition of dendrimer.

  4. Charge Order in (TMTTF)2TaF6 by Infrared Spectroscopy

    Science.gov (United States)

    Oka, Yuki; Matsunaga, Noriaki; Nomura, Kazushige; Kawamoto, Atsuhi; Yamamoto, Kaoru; Yakushi, Kyuya

    2015-11-01

    We have performed infrared spectroscopy in (TMTTF)2TaF6 (TMTTF: tetramethyltetrathiafulvalene) to investigate the relationship between the charge order (CO) state and the antiferromagnetic (AF) insulating ground state. A clear peak splitting corresponding to the charge disproportionation was observed below the CO transition temperature. We estimated the degree of charge disproportionation, Δρ = ρrich - ρpoor, as 0.28e from the peak splitting and found that the CO state coexists with the AF state and there is no charge redistribution below the AF transition.

  5. Randomized Clinical Trial of the Innovative Bilayered Wound Dressing Made of Silk and Gelatin: Safety and Efficacy Tests Using a Split-Thickness Skin Graft Model

    Science.gov (United States)

    Hasatsri, Sukhontha; Angspatt, Apichai

    2015-01-01

    We developed the novel silk fibroin-based bilayered wound dressing for the treatment of partial thickness wounds. And it showed relevant characteristics and accelerated the healing of full-thickness wounds in a rat model. This study is the clinical evaluation of the bilayered wound dressing to confirm its safety and efficacy for the treatment of split-thickness skin donor sites. The safety test was performed using a patch model and no evidence of marked and severe cutaneous reactions was found. The efficacy test of the bilayered wound dressing was conducted on 23 patients with 30 split-thickness skin graft donor sites to evaluate healing time, pain score, skin barrier function, and systemic reaction in comparison to Bactigras. We found that the healing time of donor site wounds treated with the bilayered wound dressing (11 ± 6 days) was significantly faster than those treated with Bactigras (14 ± 6 days) (p = 10−6). The wound sites treated with the bilayered wound dressing showed significantly less pain and more rapid skin functional barrier recovery than those treated with Bactigras (p = 10−5). Therefore, these results confirmed the clinical safety and efficacy of the bilayered wound dressing for the treatment of split-thickness skin graft donor sites. PMID:26221170

  6. The screening of charged impurities in bilayer graphene

    International Nuclear Information System (INIS)

    Zhang Wenjing; Li, Lain-Jong

    2010-01-01

    Positively charged impurities were introduced into a bilayer graphene (BLG) transistor by n-doping with dimethylformamide. Subsequent exposure of the BLG device to moisture resulted in a positive shift of the Dirac point and an increase of hole mobility, suggesting that moisture could reduce the scattering strength of the existing charged impurities. In other words, moisture screened off the 'effective density' of charged impurities. At the early stage of moisture screening the scattering of hole carriers is dominated by long-range Coulomb scatter, but an alternative scattering mechanism should also be taken into consideration when the effective density of impurities is further lowered on moisture exposure.

  7. Negative and positive magnetoresistance in bilayer graphene: Effects of weak localization and charge inhomogeneity

    International Nuclear Information System (INIS)

    Chen Yungfu; Bae, Myung-Ho; Chialvo, Cesar; Dirks, Travis; Bezryadin, Alexey; Mason, Nadya

    2011-01-01

    We report measurements of magnetoresistance in bilayer graphene as a function of gate voltage (carrier density) and temperature. We examine multiple contributions to the magnetoresistance, including those of weak localization (WL), universal conductance fluctuations (UCF), and inhomogeneous charge transport. A clear WL signal is evident at all measured gate voltages (in the hole doped regime) and temperature ranges (from 0.25 to 4.3 K), and the phase coherence length extracted from the WL data does not saturate at low temperatures. The WL data is fit to demonstrate that the electron-electron Nyquist scattering is the major source of phase decoherence. A decrease in UCF amplitude with increase in gate voltage and temperature is shown to be consistent with a corresponding decrease in the phase coherence length. In addition, a weak positive magnetoresistance at higher magnetic fields is observed, and attributed to inhomogeneous charge transport. -- Research highlights: → Weak localization theory describes low-field magnetoresistance in bilayer graphene. → Electron-electron Nyquist scattering limits phase coherence in bilayer graphene. → Positive magnetoresistance reveals charge inhomogeneity in bilayer graphene.

  8. Perturbative approach to the mode dispersion in charged particle bilayers

    CERN Document Server

    Ballester, D; Tkachenko, I M; Zhang, H

    2003-01-01

    Earlier theoretical and computer studies on the dynamics of strongly coupled charged particle bilayers have revealed the existence of an energy gap (omega(k = 0) not = 0, optical behaviour) for the out-of-phase plasmon. This is in contrast to the correlationless RPA prediction of acoustic (omega approx k) behaviour. We have studied the question whether a classical perturbation calculation for weak coupling shows the onset of the energy gap, and whether there is a minimal coupling threshold for the formation of the gap. A formally exact lowest order expansion technique due to Zhang and Kalman (1992 Phys. Rev. A 45 5935) has been used.

  9. Charge, spin and orbital order in the candidate multiferroic material LuFe2O4

    International Nuclear Information System (INIS)

    Groot, Joost de

    2012-01-01

    This thesis is a detailed study of the magnetic, structural and orbital order parameters of the candidate multiferroic material LuFe 2 O 4 . Multiferroic oxides with a strong magnetoelectric coupling are of high interest for potential information technology applications, but they are rare because the traditional mechanism of ferroelectricity is incompatible with magnetism. Consequently, much attention is focused on various unconventional mechanisms of ferroelectricity. Of these, ferroelectricity originating from charge ordering (CO) is particularly intriguing because it potentially combines large electric polarizations with strong magneto-electric coupling. However, examples of oxides where this mechanism occurs are exceedingly rare and none is really well understood. LuFe 2 O 4 is often cited as the prototypical example of CO-based ferroelectricity. In this material, the order of Fe valences has been proposed to render the triangular Fe/O bilayers polar by making one of the two layers rich in Fe 2+ and the other rich in Fe 3+ , allowing for a possible ferroelectric stacking of the individual bilayers. Because of this new mechanism for ferroelectricity, and also because of the high transition temperatures of charge order (T CO ∝320K) and ferro magnetism (T N ∝240 K) LuFe 2 O 4 has recently attracted increasing attention. Although these polar bilayers are generally accepted in the literature for LuFe 2 O 4 , direct proof is lacking. An assumption-free experimental determination of whether or not the CO in the Fe/O bilayers is polar would be crucial, given the dependence of the proposed mechanism of ferroelectricity from CO in LuFe 2 O 4 on polar bilayers. This thesis starts with a detailed characterization of the macroscopic magnetic properties, where growing ferrimagnetic contributions observed in magnetization could be ascribed to increasing oxygen off-stoichiometry. The main focus is on samples exhibiting a sharp magnetic transition to long-range spin order

  10. Electrochemical synthesis and characterization of bilayers of poly(O-aminophenol/ polypyrrole/lignin composites for enhanced charge storage in supercapacitors

    Directory of Open Access Journals (Sweden)

    S. Admassie

    2016-02-01

    Full Text Available Using simple electrosynthesis methods a single and bilayer of conducting polymers, polypyrrole and poly(o-aminophenol with biopolymer lignin hybrid composites were formed on gold electrodes. The specific capacitance of the single polymer-lignin composite value of 400 F/g obtained from galvanostatic charge-discharge experiment at 1 A/g is improved to a value of 514 F/g in the bilayer polymer-lignin composite systems. The charge capacity is also improved from 61 mAh/g to 121 mAh/g by forming a bilayer of conducting polymers. Moreover, the charge retention during self-discharge is improved in the bilayer system. DOI: http://dx.doi.org/10.4314/bcse.v30i1.15

  11. Charge carrier density in Li-intercalated graphene

    KAUST Repository

    Kaloni, Thaneshwor P.

    2012-05-01

    The electronic structures of bulk C 6Li, Li-intercalated free-standing bilayer graphene, and Li-intercalated bilayer and trilayer graphene on SiC(0 0 0 1) are studied using density functional theory. Our estimate of Young\\'s modulus suggests that Li-intercalation increases the intrinsic stiffness. For decreasing Li-C interaction, the Dirac point shifts to the Fermi level and the associated band splitting vanishes. For Li-intercalated bilayer graphene on SiC(0 0 0 1) the splitting at the Dirac point is tiny. It is also very small at the two Dirac points of Li-intercalated trilayer graphene on SiC(0 0 0 1). For all the systems under study, a large enhancement of the charge carrier density is achieved by Li intercalation. © 2012 Elsevier B.V. All rights reserved.

  12. Transient Zitterbewegung of charge carriers in mono- and bilayer graphene, and carbon nanotubes

    International Nuclear Information System (INIS)

    Rusin, Tomasz M.; Zawadzki, Wlodek

    2007-01-01

    Observable effects due to trembling motion [Zitterbewegung (ZB)] of charge carriers in bilayer graphene, monolayer graphene, and carbon nanotubes are calculated. It is shown that, when the charge carriers are prepared in the form of Gaussian wave packets, the ZB has a transient character with the decay time of femtoseconds in graphene and picoseconds in nanotubes. Analytical results for bilayer graphene allow us to investigate phenomena which accompany the trembling motion. In particular, it is shown that the transient character of ZB in graphene is due to the fact that wave subpackets related to positive and negative electron energies move in opposite directions, so their overlap diminishes with time. This behavior is analogous to that of the wave packets representing relativistic electrons in a vacuum

  13. Charge, spin and orbital order in the candidate multiferroic material LuFe{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Groot, Joost de

    2012-06-28

    This thesis is a detailed study of the magnetic, structural and orbital order parameters of the candidate multiferroic material LuFe{sub 2}O{sub 4}. Multiferroic oxides with a strong magnetoelectric coupling are of high interest for potential information technology applications, but they are rare because the traditional mechanism of ferroelectricity is incompatible with magnetism. Consequently, much attention is focused on various unconventional mechanisms of ferroelectricity. Of these, ferroelectricity originating from charge ordering (CO) is particularly intriguing because it potentially combines large electric polarizations with strong magneto-electric coupling. However, examples of oxides where this mechanism occurs are exceedingly rare and none is really well understood. LuFe{sub 2}O{sub 4} is often cited as the prototypical example of CO-based ferroelectricity. In this material, the order of Fe valences has been proposed to render the triangular Fe/O bilayers polar by making one of the two layers rich in Fe{sup 2+} and the other rich in Fe{sup 3+}, allowing for a possible ferroelectric stacking of the individual bilayers. Because of this new mechanism for ferroelectricity, and also because of the high transition temperatures of charge order (T{sub CO} {proportional_to}320K) and ferro magnetism (T{sub N}{proportional_to}240 K) LuFe{sub 2}O{sub 4} has recently attracted increasing attention. Although these polar bilayers are generally accepted in the literature for LuFe{sub 2}O{sub 4}, direct proof is lacking. An assumption-free experimental determination of whether or not the CO in the Fe/O bilayers is polar would be crucial, given the dependence of the proposed mechanism of ferroelectricity from CO in LuFe{sub 2}O{sub 4} on polar bilayers. This thesis starts with a detailed characterization of the macroscopic magnetic properties, where growing ferrimagnetic contributions observed in magnetization could be ascribed to increasing oxygen off-stoichiometry. The

  14. Evidence of a splitting of the Mn-O distance and of a large lattice disorder in the charge-ordered phase of LiMn2O4 obtained by EXAFS

    International Nuclear Information System (INIS)

    Paolone, A.; Castellano, C.; Cantelli, R.; Rousse, G.; Masquelier, C.

    2003-01-01

    We measured the extended x-ray-absorption fine-structure (EXAFS) spectrum of LiMn 2 O 4 below room temperature in the charge-ordered phase and for comparison at room temperature in the cubic phase. By means of a standard fit procedure we verified that, as reported by neutron-scattering experiments, also at the local level there are two different Mn-O distances below room temperature, which correspond to the surroundings of well-defined Mn 3+ and Mn 4+ ions. This result is different from the ones obtained from previous EXAFS measurements and confirms the physical picture of the phase transition caused by the ordering of charges in contrast to a cooperative Jahn-Teller phenomenon. Moreover a large lattice disorder in the charge-ordered state, which determines a significant static contribution to the EXAFS Debye-Waller factor, has been found. This last result can be considered as the EXAFS spectral mark of charge-order transitions, even in those materials in which there is no clear evidence of the splitting of bond lengths

  15. Strain Tuning of the Charge Density Wave in Monolayer and Bilayer 1T-TaS2

    KAUST Repository

    Gan, Liyong; Zhang, Lihong; Zhang, Qingyun; Guo, Chunsheng; Schwingenschlö gl, Udo; Zhao, Yong

    2015-01-01

    By first-principles calculations, we investigate the strain effects on the charge density wave states of monolayer and bilayer 1T-TaS2. The modified stability of the charge density wave in the monolayer is understood in terms of the strain dependent

  16. Charge Splitting In Situ Recorder (CSIR) for Real-Time Examination of Plasma Charging Effect in FinFET BEOL Processes

    Science.gov (United States)

    Tsai, Yi-Pei; Hsieh, Ting-Huan; Lin, Chrong Jung; King, Ya-Chin

    2017-09-01

    A novel device for monitoring plasma-induced damage in the back-end-of-line (BEOL) process with charge splitting capability is first-time proposed and demonstrated. This novel charge splitting in situ recorder (CSIR) can independently trace the amount and polarity of plasma charging effects during the manufacturing process of advanced fin field-effect transistor (FinFET) circuits. Not only does it reveal the real-time and in situ plasma charging levels on the antennas, but it also separates positive and negative charging effect and provides two independent readings. As CMOS technologies push for finer metal lines in the future, the new charge separation scheme provides a powerful tool for BEOL process optimization and further device reliability improvements.

  17. Strain Tuning of the Charge Density Wave in Monolayer and Bilayer 1T-TaS2

    KAUST Repository

    Gan, Liyong

    2015-12-07

    By first-principles calculations, we investigate the strain effects on the charge density wave states of monolayer and bilayer 1T-TaS2. The modified stability of the charge density wave in the monolayer is understood in terms of the strain dependent electron localization, which determines the distortion amplitude. On the other hand, in the bilayer the effect of strain on the interlayer interaction is also crucial. The rich phase diagram under strain opens new venues for applications of 1T-TaS2. We interpret the experimentally observed insulating state of bulk 1T-TaS2 as inherited from the monolayer by effective interlayer decoupling.

  18. Protein-induced bilayer Perturbations: Lipid ordering and hydrophobic coupling

    DEFF Research Database (Denmark)

    Petersen, Frederic Nicolas Rønne; Laursen, Ib; Bohr, Henrik

    2009-01-01

    The host lipid bilayer is increasingly being recognized as an important non-specific regulator of membrane protein function. Despite considerable progress the interplay between hydrophobic coupling and lipid ordering is still elusive. We use electron spin resonance (ESR) to study the interaction...... between the model protein gramicidin and lipid bilayers of varying thickness. The free energy of the interaction is up to −6 kJ/mol; thus not strongly favored over lipid–lipid interactions. Incorporation of gramicidin results in increased order parameters with increased protein concentration...... and hydrophobic mismatch. Our findings also show that at high protein:lipid ratios the lipids are motionally restricted but not completely immobilized. Both exchange on and off rate values for the lipid ↔ gramicidin interaction are lowest at optimal hydrophobic matching. Hydrophobic mismatch of few Å results...

  19. Collective excitations of strongly coupled bilayer charged Bose liquids in the third-frequency-moment sum rule

    International Nuclear Information System (INIS)

    Tas, Murat; Tanatar, B.

    2008-01-01

    We calculate the collective excitation modes of strongly coupled bilayer charged Bose systems. We employ the dielectric matrix formulation to study the correlation effects within the random-phase approximation (RPA), the self consistent field approximation Singwi, Tosi, Land, and Sjoelander (STLS), and the quasilocalized charge approximation (QLCA), which satisfies the third-frequency-moment ( 3 >) sum rule. We find that the QLCA predicts a long-wavelength correlation-induced energy gap in the out-of-phase plasmon mode, similar to the situation in electronic bilayer systems. The energy gap and the plasmon density of states are studied as a function of interlayer separation and coupling parameter r s . The results should be helpful for experimental investigations

  20. Photoinduced ultrafast charge-order melting: Charge-order inversion and nonthermal effects

    International Nuclear Information System (INIS)

    Veenendaal, Michel van

    2016-01-01

    The effect of photoexcitation is studied for a system with checkerboard charge order induced by displacements of ligands around a metal site. The motion of the ligands is treated classically and the electronic charges are simplified to two-level molecular bond charges. The calculations are done for a checkerboard charge-ordered system with about 100 000 ligand oscillators coupled to a fixed-temperature bath. The initial photoexcitation is followed by a rapid decrease in the charge-order parameter within 50–100 femtoseconds while leaving the correlation length almost unchanged. Depending on the fluence, a complete melting of the charge order occurs in less than a picosecond. While for low fluences, the system returns to its original state, for full melting, it recovers to its broken-symmetry state leading to an inversion of the charge order. Finally, for small long-range interactions, recovery can be slow due to domain formation.

  1. Effect of surface bilayer charges on the magnetic field around ionic channels

    Energy Technology Data Exchange (ETDEWEB)

    Gomes Soares, Marília Amável [Post-graduation in Computational Sciences, Rio de Janeiro State University (Brazil); Cortez, Celia Martins, E-mail: ccortezs@ime.uerj.br [Post-graduation in Computational Sciences, Rio de Janeiro State University (Brazil); Department of Applied Mathematics, Rio de Janeiro State University (Brazil); Oliveira Cruz, Frederico Alan de [Post-graduation in Computational Sciences, Rio de Janeiro State University (Brazil); Department of Physics, Rural Federal University of Rio de Janeiro (Brazil); Silva, Dilson [Post-graduation in Computational Sciences, Rio de Janeiro State University (Brazil); Department of Applied Mathematics, Rio de Janeiro State University (Brazil)

    2017-01-01

    In this work, we present a physic-mathematical model for representing the ion transport through membrane channels, in special Na{sup +} and K{sup +}-channels, and discuss the influence of surface bilayer charges on the magnetic field behavior around the ionic current. The model was composed of a set of equations, including: a nonlinear differential Poisson-Boltzmann equation which usually allows to estimate the surface potentials and electric potential profile across membrane; equations for the ionic flux through channel and the ionic current density based on Armstrong's model for Na{sup +} and K{sup +} permeability and other Physics concepts; and a magnetic field expression derived from the classical Ampère equation. Results from computational simulations using the finite element method suggest that the ionic permeability is strongly dependent of surface bilayer charges, the current density through a K{sup +}-channel is very less sensible to temperature changes than the current density through a Na{sup +}- channel, active Na{sup +}-channels do not directly interfere with the K{sup +}-channels around, and vice-versa, since the magnetic perturbation generated by an active channel is of short-range.

  2. RESONANT X-RAY SCATTERING AS A PROBE OF ORBITAL AND CHARGE ORDERING

    International Nuclear Information System (INIS)

    NELSON, C.S.; HILL, J.P.; GIBBS, D.

    2002-01-01

    Resonant x-ray scattering is a powerful experimental technique for probing orbital and charge ordering. It involves tuning the incident photon energy to an absorption edge of the relevant ion and observing scattering at previously 'forbidden' Bragg peaks, and it allows high-resolution, quantitative studies of orbital and charge order--even from small samples. Further, resonant x-ray scattering from orbitally ordered systems exhibits polarization- and azimuthal-dependent properties that provide additional information about the details of the orbital order that is difficult, or impossible, to obtain with any other technique. In the manganites, the sensitivity to charge and orbital ordering is enhanced when the incident photon energy is tuned near the Mn K absorption edge (6.539 keV), which is the lowest energy at which a 1s electron can be excited into an unoccupied state. In this process, the core electron is promoted to an intermediate excited state, which decays with the emission of a photon. The sensitivity to charge ordering is believed to be due to the small difference in K absorption edges of the Mn 3+ and Mn 4+ sites. For orbital ordering, the sensitivity arises from a splitting--or difference in the weight of the density of states [239]--of the orbitals occupied by the excited electron in the intermediate state. In the absence of such a splitting, there is no resonant enhancement of the scattering intensity. In principle, other absorption edges in which the intermediate state is anisotropic could be utilized, but the strong dipole transition to the Mn 4p levels--and their convenient energies for x-ray diffraction--make the K edge well-suited to studies of manganites. The Mn 4p levels are affected by the symmetry of the orbital ordering, which makes the technique sensitive to the orbital degree of freedom. Therefore resonant x-ray scattering can be used to obtain important quantitative information concerning the details of this electronic order. Two

  3. Charge orders in organic charge-transfer salts

    International Nuclear Information System (INIS)

    Kaneko, Ryui; Valentí, Roser; Tocchio, Luca F; Becca, Federico

    2017-01-01

    Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as κ -(BEDT-TTF) 2 Cu[N(CN) 2 ]Cl, we investigate magnetic and charge-ordered phases that emerge in an extended two-orbital Hubbard model on the anisotropic triangular lattice at 3/4 filling. This model takes into account the presence of two organic BEDT-TTF molecules, which form a dimer on each site of the lattice, and includes short-range intramolecular and intermolecular interactions and hoppings. By using variational wave functions and quantum Monte Carlo techniques, we find two polar states with charge disproportionation inside the dimer, hinting to ferroelectricity. These charge-ordered insulating phases are stabilized in the strongly correlated limit and their actual charge pattern is determined by the relative strength of intradimer to interdimer couplings. Our results suggest that ferroelectricity is not driven by magnetism, since these polar phases can be stabilized also without antiferromagnetic order and provide a possible microscopic explanation of the experimental observations. In addition, a conventional dimer-Mott state (with uniform density and antiferromagnetic order) and a nonpolar charge-ordered state (with charge-rich and charge-poor dimers forming a checkerboard pattern) can be stabilized in the strong-coupling regime. Finally, when electron–electron interactions are weak, metallic states appear, with either uniform charge distribution or a peculiar 12-site periodicity that generates honeycomb-like charge order. (paper)

  4. Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.

    Science.gov (United States)

    Hu, Yuan; Sinha, Sudipta Kumar; Patel, Sandeep

    2014-10-16

    Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide-water and peptide-membrane interactions allow prediction of free energy minima at the bilayer-water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are -2.51, -4.28, and -5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are -0.83, -3.33, and -3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of

  5. Intra- and inter-layer charge redistribution in biased bilayer graphene

    Directory of Open Access Journals (Sweden)

    Rui-Ning Wang

    2016-03-01

    Full Text Available We investigate the spatial redistribution of the electron density in bilayer graphene in the presence of an interlayer bias within density functional theory. It is found that the interlayer charge redistribution is inhomogeneous between the upper and bottom layers and the transferred charge from the upper layer to the bottom layer linearly increases with the external voltage which further makes the gap at K point linearly increase. However, the band gap will saturate to 0.29 eV in the strong-field regime, but it displays a linear field dependence at the weak-field limit. Due to the AB-stacked way, two carbon atoms per unit cell in the same layer are different and there is also a charge transfer between them, making the widths of π valence bands reduced. In the bottom layer, the charge transfers from the direct atoms which directly face another carbon atom to the indirect atoms facing the center of the hexagon on the opposite layer, while the charge transfers from the indirect atoms to the direct atoms in the upper layer. Furthermore, there is a diploe between the upper and bottom layers which results in the reduction of the interlayer hopping interaction.

  6. Interaction of Melittin with Negatively Charged Lipid Bilayers Supported on Gold Electrodes

    International Nuclear Information System (INIS)

    Juhaniewicz, Joanna; Sek, Slawomir

    2016-01-01

    ABSTRACT: The interactions of melittin, a cationic antimicrobial peptide, with model lipid membranes consisting of negatively charged phospholipids: 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG) or 1,2-dimyristoyl-sn-glycero-3-phosphoserine (DMPS) were investigated using electrochemical techniques and atomic force microscopy. Lipid bilayers were deposited on gold electrodes using a combination of Langmuir-Blodgett and Langmuir-Schaefer methods and the resulting membranes established a barrier for electron transfer between the electrode and the redox probe in the solution. After exposure to melittin, the blocking properties of the membranes were monitored using cyclic voltammetry and electrochemical impedance spectroscopy. It was observed that after treatment with peptide, the charge transfer through lipid bilayer is initially strongly inhibited. However, after longer exposure to melittin, the structure of the lipid film becomes less compact and the electrode reactions are facilitated due to the presence of numerous defect sites exposing bare substrate. We have assumed that such behavior reflects initial adsorption of melittin on top of the membrane and its further insertion which leads to formation of the pores or partial micellization of the lipid film. AFM imaging revealed that the exposure to 10 μM melittin solution induces significant structural changes in DMPG and DMPS membranes. However, melittin seems to affect their organization in a different manner. DMPG film appears to be more susceptible to peptide action compared with DMPS bilayer. In the latter case, long-time exposure to melittin does not result in the rupture of the membrane but rather leads to formation of pore-like defects. This observation is explained in terms of different nanomechanical properties of DMPG and DMPS films and different barrier for the reorientation and insertion of the peptide molecules into the membranes.

  7. Formation of supported lipid bilayers of charged E. coli lipids on modified gold by vesicle fusion

    Directory of Open Access Journals (Sweden)

    Ileana F. Márquez

    2017-01-01

    Full Text Available We describe a simple way of fusing E. coli lipid vesicles onto a gold surface. Supported lipid bilayers on metal surfaces are interesting for several reasons: transducing a biological signal to an electric readout, using surface analytical tools such as Surface Plasmon Resonance (SPR, Infrared Reflection Absorption Spectroscopy, Neutron Reflectivity or Electrochemistry. The most widely used method to prepare supported lipid membranes is fusion of preexisting liposomes. It is quite efficient on hydrophilic surfaces such as glass, mica or SiO2, but vesicle fusion on metals and metal oxide surfaces (as gold, titanium oxide or indium tin oxide, remains a challenge, particularly for vesicles containing charged lipids, as is the case of bacterial lipids. We describe a simple method based on modifying the gold surface with a charged mercaptopropionic acid self-assembled monolayer and liposomes partially solubilized with detergent. The formed bilayers were characterized using a Quartz Crystal Microbalance with dissipation (QCM-D and Atomic Force Microscopy (AFM. Some advantages of this protocol are that the stability of the self-assembled monolayer allows for repeated use of the substrate after detergent removal of the bilayer and that the amount of detergent required for optimal fusion can be determined previously using the lipid-detergent solubility curve.

  8. Temperature dependence of positronium reactivities with charge transfer molecules in bilayer membranes

    International Nuclear Information System (INIS)

    Jean, Y.C.; Yu, C.; Wang, Y.Y.; Yeh, Y.Y.

    1984-01-01

    Rate constants for positronium atoms reacting chemically with charge-transfer molecules such as p-benzoquinone, nitrobenzene, and coenzyme Q-10 in a model bilayer membrane, dipalmitoylphosphatidylcholine (DPPC), have been measured at temperatures between 23 and 65 0 C. A strong variation of the positronium chemical reactivities, k/sub Ps/ was observed in these systems: k/sub Ps/ increases with increasing temperature until the pretransition temperature of the membrane reaches a maximum value near the main transition temperature and decreases at temperatures higher than the main transition temperature. This variation is interpreted in terms of fluidity and permeability changes associated with the phase transitions of membranes and in terms of charge-transfer-complex formation between the solubilized molecules and the polar head of the membrane. These results demonstrate that positronium and its annihilation characteristics can be employed to investigate charge transport phenomena and microstructural changes of real biological membranes

  9. Electrostatic double-layer interaction between stacked charged bilayers

    Science.gov (United States)

    Hishida, Mafumi; Nomura, Yoko; Akiyama, Ryo; Yamamura, Yasuhisa; Saito, Kazuya

    2017-10-01

    The inapplicability of the DLVO theory to multilayered anionic bilayers is found in terms of the co-ion-valence dependence of the lamellar repeat distance. Most of the added salt is expelled from the interlamellar space to the bulk due to the Gibbs-Donnan effect on multiple bilayers with the bulk. The electrostatic double-layer interaction is well expressed by the formula recently proposed by Trefalt. The osmotic pressure due to the expelled ions, rather than the van der Waals interaction, is the main origin of the attractive force between the bilayers.

  10. Valley-filtered edge states and quantum valley Hall effect in gated bilayer graphene.

    Science.gov (United States)

    Zhang, Xu-Long; Xu, Lei; Zhang, Jun

    2017-05-10

    Electron edge states in gated bilayer graphene in the quantum valley Hall (QVH) effect regime can carry both charge and valley currents. We show that an interlayer potential splits the zero-energy level and opens a bulk gap, yielding counter-propagating edge modes with different valleys. A rich variety of valley current states can be obtained by tuning the applied boundary potential and lead to the QVH effect, as well as to the unbalanced QVH effect. A method to individually manipulate the edge states by the boundary potentials is proposed.

  11. Pathways from disordered to ordered nanostructures from defect guided dewetting of ultrathin bilayers.

    Science.gov (United States)

    Hens, Abhiram; Mondal, Kartick; Biswas, Gautam; Bandyopadhyay, Dipankar

    2016-03-01

    Transitions from spinodal to pattern-guided dewetting of a bilayer of ultrathin films (dewetting to generate ordered patterns of nanoscopic size and periodicity. Comparing the results obtained from the MD simulations with the more widely employed continuum dynamics approach highlights the importance of the MD approach in quantitatively analyzing the dynamics of the dewetting of ultrathin films. The study demonstrates that the pattern-guided dewetting of confined bilayers can lead to ordered holes, droplets, and stripes with size and periodicity less than 10nm, which are yet to be realized experimentally and can be of significance for a number of future applications. Copyright © 2015 Elsevier Inc. All rights reserved.

  12. Cu2O/CuO Bilayered Composite as a High-Efficiency Photocathode for Photoelectrochemical Hydrogen Evolution Reaction

    Science.gov (United States)

    Yang, Yang; Xu, Di; Wu, Qingyong; Diao, Peng

    2016-10-01

    Solar powered hydrogen evolution reaction (HER) is one of the key reactions in solar-to-chemical energy conversion. It is desirable to develop photocathodic materials that exhibit high activity toward photoelectrochemical (PEC) HER at more positive potentials because a higher potential means a lower overpotential for HER. In this work, the Cu2O/CuO bilayered composites were prepared by a facile method that involved an electrodeposition and a subsequent thermal oxidation. The resulting Cu2O/CuO bilayered composites exhibited a surprisingly high activity and good stability toward PEC HER, expecially at high potentials in alkaline solution. The photocurrent density for HER was 3.15 mA·cm-2 at the potential of 0.40 V vs. RHE, which was one of the two highest reported at the same potential on copper-oxide-based photocathode. The high photoactivity of the bilayered composite was ascribed to the following three advantages of the Cu2O/CuO heterojunction: (1) the broadened light absorption band that made more efficient use of solar energy, (2) the large space-charge-region potential that enabled a high efficiency for electron-hole separation, and (3) the high majority carrier density that ensured a faster charge transportation rate. This work reveals the potential of the Cu2O/CuO bilayered composite as a promising photocathodic material for solar water splitting.

  13. Stacking change in MoS2 bilayers induced by interstitial Mo impurities.

    Science.gov (United States)

    Cortés, Natalia; Rosales, Luis; Orellana, Pedro A; Ayuela, Andrés; González, Jhon W

    2018-02-01

    We use a theoretical approach to reveal the electronic and structural properties of molybdenum impurities between MoS 2 bilayers. We find that interstitial Mo impurities are able to reverse the well-known stability order of the pristine bilayer, because the most stable form of stacking changes from AA' (undoped) into AB' (doped). The occurrence of Mo impurities in different positions shows their split electronic levels in the energy gap, following octahedral and tetrahedral crystal fields. The energy stability is related to the accommodation of Mo impurities compacted in hollow sites between layers. Other less stable configurations for Mo dopants have larger interlayer distances and band gaps than those for the most stable stacking. Our findings suggest possible applications such as exciton trapping in layers around impurities, and the control of bilayer stacking by Mo impurities in the growth process.

  14. Study of the cold charge transfer state separation at the TQ1/PC71 BM interface.

    Science.gov (United States)

    Volpi, Riccardo; Linares, Mathieu

    2017-05-30

    Charge transfer (CT) state separation is one of the most critical processes in the functioning of an organic solar cell. In this article, we study a bilayer of TQ1 and PC 71 BM molecules presenting disorder at the interface, obtained by means of Molecular Dynamics. The study of the CT state splitting can be first analyzed through the CT state splitting diagram, introduced in a previous work. Through this analysis, we identify the possibility of CT state splitting within Marcus Theory in function of the electric field. Once the right range of electric fields has been identified, we perform Kinetic Monte Carlo simulations to estimate percentages and times for the CT state splitting and the free charge carriers collection. Statistical information extracted from these simulations allows us to highlight the importance of polarization and to test the limits of the predictions given by the CT state splitting diagram. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  15. An induced charge readout scheme incorporating image charge splitting on discrete pixels

    International Nuclear Information System (INIS)

    Kataria, D.O.; Lapington, J.S.

    2003-01-01

    Top hat electrostatic analysers used in space plasma instruments typically use microchannel plates (MCPs) followed by discrete pixel anode readout for the angular definition of the incoming particles. Better angular definition requires more pixels/readout electronics channels but with stringent mass and power budgets common in space applications, the number of channels is restricted. We describe here a technique that improves the angular definition using induced charge and an interleaved anode pattern. The technique adopts the readout philosophy used on the CRRES and CLUSTER I instruments but has the advantages of the induced charge scheme and significantly reduced capacitance. Charge from the MCP collected by an anode pixel is inductively split onto discrete pixels whose geometry can be tailored to suit the scientific requirements of the instrument. For our application, the charge is induced over two pixels. One of them is used for a coarse angular definition but is read out by a single channel of electronics, allowing a higher rate handling. The other provides a finer angular definition but is interleaved and hence carries the expense of lower rate handling. Using the technique and adding four channels of electronics, a four-fold increase in the angular resolution is obtained. Details of the scheme and performance results are presented

  16. 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.

  17. Electric dipole moments of charged leptons in the split fermion scenario in the two Higgs doublet model

    International Nuclear Information System (INIS)

    Iltan, E.O.

    2005-01-01

    We predict the charged lepton electric dipole moments in the split fermion scenario in the framework of the two Higgs doublet model. We observe that the numerical value of the muon (tau) electric dipole moment is of the order of the magnitude of 10 -22 e cm (10 -20 e cm) and there is an enhancement in the case of two extra dimensions, especially for the tau lepton electric dipole moment. (orig.)

  18. Effect of pressure on the fast motions in ordered phase phospholipid bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Singh, H

    2005-07-01

    Application of hydrostatic pressure to phospholipid bilayers increases acyl chain order and raises the main transition temperature. {sup 2}H NMR spectra and quadrupole echo decay times were obtained at ambient pressure and pressures of 85 MPa and 196.1 MPa for ordered phase bilayers of a zwitterionic phospholipid : 16:0-16:0 PC-d{sub 62} (DPPC-d{sub 62}) and an anionic phospholipid : 16:0-16:0 PG-d{sub 62} (DPPG-d{sub 62}). The extent to which deuterium magnetization following an RF pulse is refocused in the echo after a second pulse is limited by the motions that modulate the orientation-dependent quadrupole interaction. The q-CPMG pulse sequence is used to separate the contribution of slow and fast motions to the echo decay rate. This work provides insight into how chain packing affects local motion.

  19. A mathematical model for order splitting in a multiple supplier single-item inventory system

    DEFF Research Database (Denmark)

    Abginehchi, Soheil; Farahani, Reza Zanjirani; Rezapour, Shabnam

    2013-01-01

    systems. The item acquisition lead times of suppliers are random variables. Backorder is allowed and shortage cost is charged based on not only per unit in shortage but also per time unit. Continuous review (s,Q) policy has been assumed. When the inventory level depletes to a reorder level, the total...... order is split among n suppliers. Since the suppliers have different characteristics, the quantity ordered to different suppliers may be different. The problem is to determine the reorder level and quantity ordered to each supplier so that the expected total cost per time unit, including ordering cost......, procurement cost, inventory holding cost, and shortage cost, is minimized. We also conduct extensive numerical experiments to show the advantages of our model compared with the models in the literature. According to our extensive experiments, the model developed in this paper is the best model...

  20. Fractional-topological-charge-induced vortex birth and splitting of light fields on the submicron scale

    Science.gov (United States)

    Fang, Yiqi; Lu, Qinghong; Wang, Xiaolei; Zhang, Wuhong; Chen, Lixiang

    2017-02-01

    The study of vortex dynamics is of fundamental importance in understanding the structured light's propagation behavior in the realm of singular optics. Here, combining with the large-angle holographic lithography in photoresist, a simple experiment to trace and visualize the vortex birth and splitting of light fields induced by various fractional topological charges is reported. For a topological charge M =1.76 , the recorded microstructures reveal that although it finally leads to the formation of a pair of fork gratings, these two vortices evolve asynchronously. More interestingly, it is observed on the submicron scale that high-order topological charges M =3.48 and 3.52, respectively, give rise to three and four characteristic forks embedded in the samples with one-wavelength resolution of about 450 nm. Numerical simulations based on orbital angular momentum eigenmode decomposition support well the experimental observations. Our method could be applied effectively to study other structured matter waves, such as the electron and neutron beams.

  1. Slaved diffusion in phospholipid bilayers

    Science.gov (United States)

    Zhang, Liangfang; Granick, Steve

    2005-01-01

    The translational diffusion of phospholipids in supported fluid bilayers splits into two populations when polyelectrolytes adsorb at incomplete surface coverage. Spatially resolved measurements using fluorescence correlation spectroscopy show that a slow mode, whose magnitude scales inversely with the degree of polymerization of the adsorbate, coexists with a fast mode characteristic of naked lipid diffusion. Inner and outer leaflets of the bilayer are affected nearly equally. Mobility may vary from spot to spot on the membrane surface, despite the lipid composition being the same. This work offers a mechanism to explain how nanosized domains with reduced mobility arise in lipid membranes. PMID:15967988

  2. A second order splitting algorithm for thermally-driven flow problems

    NARCIS (Netherlands)

    Minev, P.D.; Vosse, van de F.N.; Timmermans, L.J.P.; Steenhoven, van A.A.

    1995-01-01

    A splitting technique for solutions of the Navier—Stokes and the energy equations, in Boussinesq approximately, is presented. The equations are first integrated in time using a splitting procedure and then discretized spatially by means of a high-order spectral element method. The whole technique is

  3. Robust Stacking-Independent Ultrafast Charge Transfer in MoS2/WS2 Bilayers.

    Science.gov (United States)

    Ji, Ziheng; Hong, Hao; Zhang, Jin; Zhang, Qi; Huang, Wei; Cao, Ting; Qiao, Ruixi; Liu, Can; Liang, Jing; Jin, Chuanhong; Jiao, Liying; Shi, Kebin; Meng, Sheng; Liu, Kaihui

    2017-12-26

    Van der Waals-coupled two-dimensional (2D) heterostructures have attracted great attention recently due to their high potential in the next-generation photodetectors and solar cells. The understanding of charge-transfer process between adjacent atomic layers is the key to design optimal devices as it directly determines the fundamental response speed and photon-electron conversion efficiency. However, general belief and theoretical studies have shown that the charge transfer behavior depends sensitively on interlayer configurations, which is difficult to control accurately, bringing great uncertainties in device designing. Here we investigate the ultrafast dynamics of interlayer charge transfer in a prototype heterostructure, the MoS 2 /WS 2 bilayer with various stacking configurations, by optical two-color ultrafast pump-probe spectroscopy. Surprisingly, we found that the charge transfer is robust against varying interlayer twist angles and interlayer coupling strength, in time scale of ∼90 fs. Our observation, together with atomic-resolved transmission electron characterization and time-dependent density functional theory simulations, reveals that the robust ultrafast charge transfer is attributed to the heterogeneous interlayer stretching/sliding, which provides additional channels for efficient charge transfer previously unknown. Our results elucidate the origin of transfer rate robustness against interlayer stacking configurations in optical devices based on 2D heterostructures, facilitating their applications in ultrafast and high-efficient optoelectronic and photovoltaic devices in the near future.

  4. Synthetic high-charge organomica: effect of the layer charge and alkyl chain length on the structure of the adsorbed surfactants.

    Science.gov (United States)

    Pazos, M Carolina; Castro, Miguel A; Orta, M Mar; Pavón, Esperanza; Valencia Rios, Jesús S; Alba, María D

    2012-05-15

    A family of organomicas was synthesized using synthetic swelling micas with high layer charge (Na(n)Si(8-n)Al(n)Mg(6)F(4)O(20)·XH(2)O, where n = 2, 3, and 4) exchanged with dodecylammonium and octadecylammonium cations. The molecular arrangement of the surfactant was elucidated on the basis on XRD patterns and DTA. The ordering conformation of the surfactant molecules into the interlayer space of micas was investigated by (13)C, (27)Al, and (29)Si MAS NMR. The arrangement of alkylammonium ions in these high-charge synthetic micas depends on the combined effects of the layer charge of the mica and the chain length of the cation. In the organomicas with dodecylammonium, a transition from a parallel layer to a bilayer-paraffin arrangement is observed when the layer charge of the mica increases. However, when octadecylammonium is the interlayer cation, the molecular arrangement of the surfactant was found to follow the bilayer-paraffin model for all values of layer charge. The amount of ordered conformation all-trans is directly proportional of layer charge.

  5. Electrosprayed heterojunction WO{sub 3}/BiVO{sub 4} films with nanotextured pillar structure for enhanced photoelectrochemical water splitting

    Energy Technology Data Exchange (ETDEWEB)

    Mali, Mukund G.; Yoon, Hyun; Yoon, Sam S., E-mail: skyoon@korea.ac.kr [School of Mechanical Engineering, Korea University, Seoul 136-713 (Korea, Republic of); Kim, Min-woo [School of Mechanical Engineering, Korea University, Seoul 136-713 (Korea, Republic of); Green School, Korea University, Seoul 136-713 (Korea, Republic of); Swihart, Mark T. [Department of Chemistry and Biological Engineering, University at Buffalo (SUNY), Buffalo, New York 14260 (United States); Al-Deyab, Salem S. [Department of Chemistry, College of Science, King Saud University, Riyadh 11451 (Saudi Arabia)

    2015-04-13

    We demonstrate that the addition of a tungsten oxide (WO{sub 3}) layer beneath a bismuth vanadate (BiVO{sub 4}) photocatalyst layer with a nanotextured pillar morphology significantly increases the photocurrent density in photoelectrochemical water splitting. The WO{sub 3}-BiVO{sub 4} bilayer films produced a photocurrent of up to 3.3 mA/cm{sup 2} under illumination at 100 mW/cm{sup 2} (AM1.5 spectrum). The bilayer film was characterized by scanning electron microscopy, X-ray diffraction, and photoelectrochemical methods, which confirmed the superiority of the bilayer film in terms of its morphology and charge separation and transport ability. Both WO{sub 3} and BiVO{sub 4} were deposited by electrostatic spraying under open-air conditions, which resulted in nanotextured pillars of BiVO{sub 4} atop a smooth WO{sub 3} film. The optimal coating conditions are also reported.

  6. Complexation behavior of oppositely charged polyelectrolytes: Effect of charge distribution

    International Nuclear Information System (INIS)

    Zhao, Mingtian; Li, Baohui; Zhou, Jihan; Su, Cuicui; Niu, Lin; Liang, Dehai

    2015-01-01

    Complexation behavior of oppositely charged polyelectrolytes in a solution is investigated using a combination of computer simulations and experiments, focusing on the influence of polyelectrolyte charge distributions along the chains on the structure of the polyelectrolyte complexes. The simulations are performed using Monte Carlo with the replica-exchange algorithm for three model systems where each system is composed of a mixture of two types of oppositely charged model polyelectrolyte chains (EGEG) 5 /(KGKG) 5 , (EEGG) 5 /(KKGG) 5 , and (EEGG) 5 /(KGKG) 5 , in a solution including explicit solvent molecules. Among the three model systems, only the charge distributions along the chains are not identical. Thermodynamic quantities are calculated as a function of temperature (or ionic strength), and the microscopic structures of complexes are examined. It is found that the three systems have different transition temperatures, and form complexes with different sizes, structures, and densities at a given temperature. Complex microscopic structures with an alternating arrangement of one monolayer of E/K monomers and one monolayer of G monomers, with one bilayer of E and K monomers and one bilayer of G monomers, and with a mixture of monolayer and bilayer of E/K monomers in a box shape and a trilayer of G monomers inside the box are obtained for the three mixture systems, respectively. The experiments are carried out for three systems where each is composed of a mixture of two types of oppositely charged peptide chains. Each peptide chain is composed of Lysine (K) and glycine (G) or glutamate (E) and G, in solution, and the chain length and amino acid sequences, and hence the charge distribution, are precisely controlled, and all of them are identical with those for the corresponding model chain. The complexation behavior and complex structures are characterized through laser light scattering and atomic force microscopy measurements. The order of the apparent weight

  7. Lipid Bilayer Formation on Organic Electronic Materials

    KAUST Repository

    Zhang, Yi

    2018-04-23

    The lipid bilayer is the elemental structure of cell membrane, forming a stable barrier between the interior and exterior of the cell while hosting membrane proteins that enable selective transport of biologically important compounds and cellular recognition. Monitoring the quality and function of lipid bilayers is thus essential and can be performed using electrically active substrates that allow for transduction of signals. Such a promising electronic transducer material is the conducting polymer poly(3,4-ethylenedioxythiophene) doped with poly(styrene sulfonate) (PEDOT:PSS) which has provided a plethora of novel bio transducing architectures. The challenge is however in assembling a bilayer on the conducting polymer surface, which is defect-free and has high mobility. Herein, we investigate the fusion of zwitterionic vesicles on a variety of PEDOT:PSS films, but also on an electron transporting, negatively charged organic semiconductor, in order to understand the surface properties that trigger vesicle fusion. The PEDOT:PSS films are prepared from dispersions containing different concentrations of ethylene glycol included as a formulation additive, which gives a handle to modulate surface physicochemical properties without a compromise on the chemical composition. The strong correlation between the polarity of the surface, the fusion of vesicles and the mobility of the resulting bilayer aides extracting design principles for the development of future conducting polymers that will enable the formation of lipid bilayers.

  8. Irrational Charge from Topological Order

    Science.gov (United States)

    Moessner, R.; Sondhi, S. L.

    2010-10-01

    Topological or deconfined phases of matter exhibit emergent gauge fields and quasiparticles that carry a corresponding gauge charge. In systems with an intrinsic conserved U(1) charge, such as all electronic systems where the Coulombic charge plays this role, these quasiparticles are also characterized by their intrinsic charge. We show that one can take advantage of the topological order fairly generally to produce periodic Hamiltonians which endow the quasiparticles with continuously variable, generically irrational, intrinsic charges. Examples include various topologically ordered lattice models, the three-dimensional resonating valence bond liquid on bipartite lattices as well as water and spin ice. By contrast, the gauge charges of the quasiparticles retain their quantized values.

  9. Electron-hole collision limited transport in charge-neutral bilayer graphene

    Science.gov (United States)

    Nam, Youngwoo; Ki, Dong-Keun; Soler-Delgado, David; Morpurgo, Alberto F.

    2017-12-01

    Ballistic transport occurs whenever electrons propagate without collisions deflecting their trajectory. It is normally observed in conductors with a negligible concentration of impurities, at low temperature, to avoid electron-phonon scattering. Here, we use suspended bilayer graphene devices to reveal a new regime, in which ballistic transport is not limited by scattering with phonons or impurities, but by electron-hole collisions. The phenomenon manifests itself in a negative four-terminal resistance that becomes visible when the density of holes (electrons) is suppressed by gate-shifting the Fermi level in the conduction (valence) band, above the thermal energy. For smaller densities, transport is diffusive, and the measured conductivity is reproduced quantitatively, with no fitting parameters, by including electron-hole scattering as the only process causing velocity relaxation. Experiments on a trilayer device show that the phenomenon is robust and that transport at charge neutrality is governed by the same physics. Our results provide a textbook illustration of a transport regime that had not been observed previously and clarify the nature of conduction through charge-neutral graphene under conditions in which carrier density inhomogeneity is immaterial. They also demonstrate that transport can be limited by a fully electronic mechanism, originating from the same microscopic processes that govern the physics of Dirac-like plasmas.

  10. Calculations of the electrostatic potential adjacent to model phospholipid bilayers.

    Science.gov (United States)

    Peitzsch, R M; Eisenberg, M; Sharp, K A; McLaughlin, S

    1995-03-01

    We used the nonlinear Poisson-Boltzmann equation to calculate electrostatic potentials in the aqueous phase adjacent to model phospholipid bilayers containing mixtures of zwitterionic lipids (phosphatidylcholine) and acidic lipids (phosphatidylserine or phosphatidylglycerol). The aqueous phase (relative permittivity, epsilon r = 80) contains 0.1 M monovalent salt. When the bilayers contain equipotential surfaces are discrete domes centered over the negatively charged lipids and are approximately twice the value calculated using Debye-Hückel theory. When the bilayers contain > 25% acidic lipid, the -25 mV equipotential profiles are essentially flat and agree well with the values calculated using Gouy-Chapman theory. When the bilayers contain 100% acidic lipid, all of the equipotential surfaces are flat and agree with Gouy-Chapman predictions (including the -100 mV surface, which is located only 1 A from the outermost atoms). Even our model bilayers are not simple systems: the charge on each lipid is distributed over several atoms, these partial charges are non-coplanar, there is a 2 A ion-exclusion region (epsilon r = 80) adjacent to the polar headgroups, and the molecular surface is rough. We investigated the effect of these four factors using smooth (or bumpy) epsilon r = 2 slabs with embedded point charges: these factors had only minor effects on the potential in the aqueous phase.

  11. Heterogeneous bilayer films NiFe (Fe)-Dy: magnetic circular dichroism and Dy spin ordering

    Energy Technology Data Exchange (ETDEWEB)

    Markov, V.V. E-mail: ise@iph.krasn.ruise@iph.krasnoyarsk.su; Kesler, V.G.; Khudyakov, A.E.; Edelman, I.S.; Bondarenko, G.V

    2001-08-01

    Results of the magnetic circular dichroism (MCD) and Auger electron spectroscopy (AES) investigations in the 3d transition metal-Dy bi-layer films are presented. It is shown that even at room temperature the Dy layer makes a contribution to MCD of the bi-layer film, which corresponds to the MCD value in the single-layer Dy film measured below T{sub C}=85 K. According to the AES data there is no sharp interface between 3d and Dy layers in these films. Some amount of Ni and Fe atoms is dispersed in the Dy layer and some amount of Dy atoms is dispersed in the 3d layer. The comparison of the MCD and AES data allows one to suppose the Dy layer in the bi-layer films to be magnetically ordered at room temperature under the influence of the 3d-layer spin system. The influence spreads to long distances inside Dy layer through the 3d-ions dispersed in it.

  12. Heterogeneous bilayer films NiFe (Fe)-Dy: magnetic circular dichroism and Dy spin ordering

    International Nuclear Information System (INIS)

    Markov, V.V.; Kesler, V.G.; Khudyakov, A.E.; Edelman, I.S.; Bondarenko, G.V.

    2001-01-01

    Results of the magnetic circular dichroism (MCD) and Auger electron spectroscopy (AES) investigations in the 3d transition metal-Dy bi-layer films are presented. It is shown that even at room temperature the Dy layer makes a contribution to MCD of the bi-layer film, which corresponds to the MCD value in the single-layer Dy film measured below T C =85 K. According to the AES data there is no sharp interface between 3d and Dy layers in these films. Some amount of Ni and Fe atoms is dispersed in the Dy layer and some amount of Dy atoms is dispersed in the 3d layer. The comparison of the MCD and AES data allows one to suppose the Dy layer in the bi-layer films to be magnetically ordered at room temperature under the influence of the 3d-layer spin system. The influence spreads to long distances inside Dy layer through the 3d-ions dispersed in it

  13. Double collinear splitting amplitudes at next-to-leading order

    Energy Technology Data Exchange (ETDEWEB)

    Sborlini, Germán F.R. [Departamento de Física and IFIBA, FCEyN, Universidad de Buenos Aires (1428) Pabellón 1 Ciudad Universitaria, Capital Federal (Argentina); Instituto de Física Corpuscular, Universitat de València -Consejo Superior de Investigaciones Científicas,Parc Científic, E-46980 Paterna (Valencia) (Spain); Florian, Daniel de [Departamento de Física and IFIBA, FCEyN, Universidad de Buenos Aires (1428) Pabellón 1 Ciudad Universitaria, Capital Federal (Argentina); Rodrigo, Germán [Instituto de Física Corpuscular, Universitat de València -Consejo Superior de Investigaciones Científicas,Parc Científic, E-46980 Paterna (Valencia) (Spain)

    2014-01-07

    We compute the next-to-leading order (NLO) QCD corrections to the 1→2 splitting amplitudes in different dimensional regularization (DREG) schemes. Besides recovering previously known results, we explore new DREG schemes and analyze their consistency by comparing the divergent structure with the expected behavior predicted by Catani’s formula. Through the introduction of scalar-gluons, we show the relation among splittings matrices computed using different schemes. Also, we extended this analysis to cover the double collinear limit of scattering amplitudes in the context of QCD+QED.

  14. 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.

  15. Changes in work function due to NO2 adsorption on monolayer and bilayer epitaxial graphene on SiC(0001)

    Science.gov (United States)

    Caffrey, Nuala M.; Armiento, Rickard; Yakimova, Rositsa; Abrikosov, Igor A.

    2016-11-01

    The electronic properties of monolayer graphene grown epitaxially on SiC(0001) are known to be highly sensitive to the presence of NO2 molecules. The presence of small areas of bilayer graphene, on the other hand, considerably reduces the overall sensitivity of the surface. We investigate how NO2 molecules interact with monolayer and bilayer graphene, both free-standing and on a SiC(0001) substrate. We show that it is necessary to explicitly include the effect of the substrate in order to reproduce the experimental results. When monolayer graphene is present on SiC, there is a large charge transfer from the interface between the buffer layer and the SiC substrate to the molecule. As a result, the surface work function increases by 0.9 eV after molecular adsorption. A graphene bilayer is more effective at screening this interfacial charge, and so the charge transfer and change in work function after NO2 adsorption is much smaller.

  16. On the Kendrick Mass Defect Plots of Multiply Charged Polymer Ions: Splits, Misalignments, and How to Correct Them

    Science.gov (United States)

    Fouquet, Thierry N. J.; Cody, Robert B.; Ozeki, Yuka; Kitagawa, Shinya; Ohtani, Hajime; Sato, Hiroaki

    2018-05-01

    The Kendrick mass defect (KMD) analysis of multiply charged polymeric distributions has recently revealed a surprising isotopic split in their KMD plots—namely a 1/z difference between KMDs of isotopes of an oligomer at charge state z. Relying on the KMD analysis of actual and simulated distributions of poly(ethylene oxide) (PEO), the isotopic split is mathematically accounted for and found to go with an isotopic misalignment in certain cases. It is demonstrated that the divisibility (resp. indivisibility) of the nominal mass of the repeating unit (R) by z is the condition for homolog ions to line up horizontally (resp. misaligned obliquely) in a KMD plot. Computing KMDs using a fractional base unit R/z eventually corrects the misalignments for the associated charge state while using the least common multiple of all the charge states as the divisor realigns all the points at once. The isotopic split itself can be removed by using either a new charge-dependent KMD plot compatible with any fractional base unit or the remainders of KM (RKM) recently developed for low-resolution data all found to be linked in a unified theory. These original applications of the fractional base units and the RKM plots are of importance theoretically to satisfy the basics of a mass defect analysis and practically for a correct data handling of single stage and tandem mass spectra of multiply charged homo- and copolymers.

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

    DEFF Research Database (Denmark)

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

    2009-01-01

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

  18. Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state.

    Science.gov (United States)

    Sukhomlinov, Sergey V; Müser, Martin H

    2015-12-14

    In this work, we study how including charge transfer into force fields affects the predicted elastic and vibrational Γ-point properties of ionic crystals, in particular those of rock salt. In both analytical and numerical calculations, we find that charge transfer generally leads to a negative contribution to the Cauchy pressure, P(C) ≡ C12 - C66, where C12 and C66 are elements of the elastic tensor. This contribution increases in magnitude with pressure for different charge-transfer approaches in agreement with results obtained with density functional theory (DFT). However, details of the charge-transfer models determine the pressure dependence of the longitudinal optical-transverse optical splitting and that for partial charges. These last two quantities increase with density as long as the chemical hardness depends at most weakly on the environment while experiments and DFT find a decrease. In order to reflect the correct trends, the charge-transfer expansion has to be made around ions and the chemical (bond) hardness has to increase roughly exponentially with inverse density or bond lengths. Finally, the adjustable force-field parameters only turn out meaningful, when the expansion is made around ions.

  19. Negative pressure wound therapy, staged excision and definitive closure with split-thickness skin graft for axillary hidradenitis suppurativa: a retrospective study.

    Science.gov (United States)

    Pearce, F B; Richardson, K A

    2017-01-02

    Bilateral axillary hidradenitis is a chronic, suppurative, and scarring disease that is most effectively treated by complete excision of all hair-bearing tissues. We assessed our staged procedure for excision and placement of a split-thickness skin graft for bilateral axillary hidradenitis in terms of costs, outcomes, and timing of excision. An IRB approved retrospective case analysis was performed on patients that underwent bilateral axillary hidradenitis skin excision with eventual placement of split-thickness skin grafting using the current LSUHSC/University Health hidradenitis surgical treatment protocol. Using ICD-9 codes (705.83) and CPT codes (11041, 11042, 11451, 11600, 11601, 11602, 11603, 11604) we reviewed cases performed at our institution from 1 January 2008 to 24 Febuary 2014 and we selected patients based on bilateral axillary involvement (alone) and >1 year history of active disease. Patients were excluded if resection of tissue encompassed regions outside of the immediately adjacent axillary. A total of seven patients matching criteria for bilateral axillary hidradenitis were selected for analysis. Clinical course, cost and surgical techniques were assessed. Of the seven patients, six required admission throughout their treatment due to lack of funding making use of negative pressure wound therapy at home not possible. These patients stayed an average of 10 days with a mean hospital charge of $35,178 and a mean hospital provider charge of $10,019. No recurrence was demonstrated. All patients attained full range of motion, post grafting. No patient required a further operation due to graft failure. Split-thickness skin grafting without use of bilayer dermal regenerative templates yielded definitive results with acceptable cosmesis and functionality, without the added cost of treatments such as a bilayer dermal regenerative template.

  20. Electrostatic control of the dynamics of lipid bilayer self-spreading using a nanogap gate

    International Nuclear Information System (INIS)

    Kashimura, Y; Sumitomo, K; Furukawa, K

    2014-01-01

    The electrostatic control of lipid bilayer self-spreading was investigated using a device equipped with a nanogap gate. A series of mixtures containing negatively charged and uncharged lipids were employed to tune the charge of a membrane. We found that when a voltage is applied on a lipid bilayer passing through a nanogap, the effect of a voltage application on the dynamics depended largely on the charge of the membrane. For rich charged lipid compositions (>10 mol%), the self-spreading was electrostatically controlled applying an electric field to the nanogap. The origin of the behaviour is the electrostatic trapping of charged lipids. The trapped lipids close the nanogap gate, thus preventing any lipid molecules from passing through it. For poor charged lipid compositions (∼1 mol%), no electrostatic trapping occurred even when a lipid bilayer reached the nanogap. Instead, we observed the cessation of self-spreading after a sufficient post-passage time interval, indicating that the translational flow force of self-spreading overcomes the trapping force. For uncharged lipid compositions, there was no electrostatic trapping throughout the measurement. The results suggest that the lipid charge plays a vital role in the electrostatic control mechanism and allow us to control lipid bilayer formation both spatially and temporally. (paper)

  1. Extension of the Mott-Gurney Law for a Bilayer Gap

    Science.gov (United States)

    Dubinov, A. E.; Kitayev, I. N.

    2018-04-01

    Steady drift states of an electron flow in a planar gap filled with a bilayer dielectric have been considered. Exact mathematical formulas have been derived that describe the distributions of the electrostatic potential and space charge limited electron flow current (extended Mott-Gurney law for a bilayer diode).

  2. First principle calculations of charge ordering in manganites

    International Nuclear Information System (INIS)

    Baldomir, D.; Pardo, V.; Castro, J.; Iglesias, M.; Arias, J.E.; Rivas, J.

    2007-01-01

    Electronic structure calculations were performed on the compound La 0.5 Ca 0.5 MnO 3 to study the relationship between the magnetic ordering, the charge ordering and the geometry of the compound. Charge ordering is intimately related to the magnetic ordering. An antiferromagnetic ordering induces charge disproportionation via a Jahn-Teller distortion. A full disproportionation in Mn 3+ /Mn 4+ occurs for the experimental geometry and allows to predict the experimentally found antiferromagnetic insulating state

  3. Pressure-temperature phase diagram of a charge-ordered organic conductor studied by C13 NMR

    Science.gov (United States)

    Itou, T.; Miyagawa, K.; Nakamura, J.; Kanoda, K.; Hiraki, K.; Takahashi, T.

    2014-07-01

    We performed C13 NMR measurements on the quasi-one-dimensional (Q1D) charge-ordered system (DI-DCNQI)2Ag under ambient and applied pressure to clarify the pressure-temperature phase diagram. For pressures up to 15 kbar, the NMR spectra exhibit complicated splitting at low temperatures, indicating a "generalized 3D Wigner crystal" state. In this pressure region, we find that increased pressure causes a decrease in the charge disproportionation ratio, along with a decrease in the transition temperature of the generalized 3D Wigner crystal. In the high-pressure region, near 20 kbar, where a 1D confined liquid crosses over to a 3D Fermi liquid at high temperatures, the ground state is replaced by a nonmagnetic insulating state that is qualitatively different from the generalized 3D Wigner crystal.

  4. Charge Transfer Mechanism in Titanium-Doped Microporous Silica for Photocatalytic Water-Splitting Applications

    Directory of Open Access Journals (Sweden)

    Wendi Sapp

    2016-02-01

    Full Text Available Solar energy conversion into chemical form is possible using artificial means. One example of a highly-efficient fuel is solar energy used to split water into oxygen and hydrogen. Efficient photocatalytic water-splitting remains an open challenge for researchers across the globe. Despite significant progress, several aspects of the reaction, including the charge transfer mechanism, are not fully clear. Density functional theory combined with density matrix equations of motion were used to identify and characterize the charge transfer mechanism involved in the dissociation of water. A simulated porous silica substrate, using periodic boundary conditions, with Ti4+ ions embedded on the inner pore wall was found to contain electron and hole trap states that could facilitate a chemical reaction. A trap state was located within the silica substrate that lengthened relaxation time, which may favor a chemical reaction. A chemical reaction would have to occur within the window of photoexcitation; therefore, the existence of a trapping state may encourage a chemical reaction. This provides evidence that the silica substrate plays an integral part in the electron/hole dynamics of the system, leading to the conclusion that both components (photoactive materials and support of heterogeneous catalytic systems are important in optimization of catalytic efficiency.

  5. A Neutron View of Proteins in Lipid Bilayers

    Science.gov (United States)

    White, Stephen

    2012-02-01

    Despite the growing number of atomic-resolution membrane protein structures, direct structural information about proteins in their native membrane environment is scarce. This problem is particularly relevant in the case of the highly-charged S1-S4 voltage- sensing domains responsible for nerve impulses, where interactions with the lipid bilayer are critical for the function of voltage-activated potassium channels. We have used neutron diffraction, solid-state nuclear magnetic resonance spectroscopy, and molecular dynamics simulations to investigate the structure and hydration of bilayer membranes containing S1-S4 voltage-sensing domains. Our results show that voltage sensors adopt transmembrane orientations, cause a modest reshaping of the surrounding lipid bilayer, and that water molecules intimately interact with the protein within the membrane. These structural findings reveal that voltage sensors have evolved to interact with the lipid membrane while keeping the energetic and structural perturbations to a minimum, and that water penetrates into the membrane to hydrate charged residues and shape the transmembrane electric field.

  6. Combined First and Second Order Total Variation Inpainting using Split Bregman

    KAUST Repository

    Papafitsoros, Konstantinos

    2013-07-12

    In this article we discuss the implementation of the combined first and second order total variation inpainting that was introduced by Papafitsoros and Schdönlieb. We describe the algorithm we use (split Bregman) in detail, and we give some examples that indicate the difference between pure first and pure second order total variation inpainting.

  7. Combined First and Second Order Total Variation Inpainting using Split Bregman

    KAUST Repository

    Papafitsoros, Konstantinos; Schoenlieb, Carola Bibiane; Sengul, Bati

    2013-01-01

    In this article we discuss the implementation of the combined first and second order total variation inpainting that was introduced by Papafitsoros and Schdönlieb. We describe the algorithm we use (split Bregman) in detail, and we give some examples that indicate the difference between pure first and pure second order total variation inpainting.

  8. Formal Valence, 3 d Occupation, and Charge Ordering Transitions

    Science.gov (United States)

    Pickett, Warren

    2014-03-01

    The metal-insulator transition (MIT), discovered by Verwey in the late 1930s, has been thought to be one of the best understood of MITs, the other ones being named after Wigner, Peierls, Mott, and Anderson. Continuing work on these transitions finds in some cases less and less charge to order, raising the fundamental question of just where the entropy is coming from, and just what is ordering. To provide insight into the mechanism of charge-ordering transitions, which conventionally are pictured as a disproportionation, I will (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new theoretical results for the rare earth nickelates (viz. YNiO3), the putative charge ordering compound AgNiO2, and the dual charge state insulator AgO, and (3) analyze cationic occupations of actual (not formal) charge, and work to reconcile the conundrums that arise. Several of the clearest cases of charge ordering transitions involve no disproportion; moreover, the experimental data used to support charge ordering can be accounted for within density functional based calculations that contain no charge transfer The challenge of modeling charge ordering transitions with model Hamiltonians will be discussed. Acknowledgment: Y. Quan, V. Pardo. Supported by NSF award DMR-1207622-0.

  9. Controllable spin filter composed of ferromagnetic AB-stacking bilayer graphenes

    International Nuclear Information System (INIS)

    Yu, Yong; Liang, Qifeng; Dong, Jinming

    2011-01-01

    The electron's tunneling and spin transport in the normal/ferromagnetic/normal (N/FM/N) AB-stacking bilayer graphene (BLG) junction have been studied using Landauer-Buettiker formula. It is found that the resonant conductance peaks could be split well into spin-up and down ones by the exchange field in its FM barrier, leading to a very large spin polarization. More importantly, if a perpendicular electric field is also applied on the FM barrier, a completely spin-polarized flow can be realized by changing its barrier height, making the N/FM/N AB-stacking BLG junction act as a controllable spin filter. -- Highlights: → A study of spin transport in the ferromagnetic bilayer graphene junctions. → A serious of resonant conductance peaks could appear by tuning the barrier height. → The exchange splitting in FM barrier leads to a large spin polarization P. → P=±1 can be realized if a perpendicular electric field is applied to the FM barrier.

  10. Stacking order dependent mechanical properties of graphene/MoS{sub 2} bilayer and trilayer heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Elder, Robert M., E-mail: robert.elder26.ctr@mail.mil, E-mail: mahesh.neupane.ctr@mail.mil; Neupane, Mahesh R., E-mail: robert.elder26.ctr@mail.mil, E-mail: mahesh.neupane.ctr@mail.mil; Chantawansri, Tanya L. [U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States)

    2015-08-17

    Transition metal dichalcogenides (TMDC) such as molybdenum disulfide (MoS{sub 2}) are two-dimensional materials that show promise for flexible electronics and piezoelectric applications, but their weak mechanical strength is a barrier to practical use. In this work, we perform nanoindentation simulations using atomistic molecular dynamics to study the mechanical properties of heterostructures formed by combining MoS{sub 2} with graphene. We consider both bi- and tri-layer heterostructures formed with MoS{sub 2} either supported or encapsulated by graphene. Mechanical properties, such as Young's modulus, bending modulus, ultimate tensile strength, and fracture strain, are extracted from nanoindentation simulations and compared to the monolayer and homogeneous bilayer systems. We observed that the heterostructures, regardless of the stacking order, are mechanically more robust than the mono- and bi-layer MoS{sub 2}, mainly due to the mechanical reinforcement provided by the graphene layer. The magnitudes of ultimate strength and fracture strain are similar for both the bi- and tri-layer heterostructures, but substantially larger than either the mono- and bi-layer MoS{sub 2}. Our results demonstrate the potential of graphene-based heterostructures to improve the mechanical properties of TMDC materials.

  11. Combined effects of headgroup charge and tail unsaturation of lipids on lateral organization and diffusion of lipids in model biomembranes

    International Nuclear Information System (INIS)

    Chen Xiao-Jie; Liang Qing

    2017-01-01

    Lateral organization and dynamics of lipids in plasma membranes are crucial for several cellular processes such as signal transduction across the membrane and still remain elusive. In this paper, using coarse-grained molecular dynamics simulation, we theoretically study the combined effects of headgroup charge and tail unsaturation of lipids on the lateral organization and diffusion of lipids in ternary lipid bilayers. In neutral ternary lipid bilayers composed of saturated lipids, unsaturated lipids, and cholesterols, under the conditions of given temperature and components, the main factor for the phase separation is the unsaturation of unsaturated lipids and the bilayers can be separated into liquid-ordered domains enriched in saturated lipids and cholesterols and liquid-disordered domains enriched in unsaturated lipids. Once the headgroup charge is introduced, the electrostatic repulsion between the negatively charged lipid headgroups will increase the distance between the charged lipids. We find that the lateral organization and diffusion of the lipids in the (partially) charged ternary lipid bilayers are determined by the competition between the headgroup charge and the unsaturation of the unsaturated lipids. In the bilayers containing unsaturated lipids with lower unsaturation, the headgroup charge plays a crucial role in the lateral organization and diffusion of lipids. The headgroup charge may make the lipid domains unstable and even can suppress phase separation of the lipids in some systems. However, in the bilayers containing highly unsaturated lipids, the lateral organization and diffusion of lipids are mainly dominated by the unsaturation of the unsaturated lipids. This work may provide some theoretical insights into understanding the formation of nanosized domains and lateral diffusion of lipids in plasma membranes. (paper)

  12. Structural and electro-optical properties of bilayer graphyne like BN sheet

    Science.gov (United States)

    Behzad, Somayeh

    2016-12-01

    The structural, electronic and optical properties of bilayer graphyne like BN sheet (BNyne) with different stacking manners have been explored by the first-principles calculations. The stabilities of α-BNyne bilayers with different stacking manners are compared. The α-BNyne Bilayers have wide band gaps. Compared to the single α-BNyne, the numbers of energy bands are doubled due to the interlayer interactions and the band gap is reduced. The AB-I configuration has a direct band gap while the band gap becomes indirect for AA-II. The calculated ε2 (ω) of bilayer α-BNyne for (Eǁx) is similar to that of the monolayer α-BNyne, except for the small changes of peak positions and increasing of peak intensities. For (Eǁz), the first absorption peak occures at 3.86 eV, and the prominant peak of monolayer at 9.17 eV becomes broadened. These changes are related to the new transitions resulting from the band splitting.

  13. Splitting of the Ti-3d bands of TiSe{sub 2} in the charge-density wave phase

    Energy Technology Data Exchange (ETDEWEB)

    Ghafari, A., E-mail: aa.ghafari@gmail.com [Elettra Sincrotrone Trieste, Strada Statale 14 km 163.5, I-34149, Trieste (Italy); Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, 14109, Berlin (Germany); Petaccia, L. [Elettra Sincrotrone Trieste, Strada Statale 14 km 163.5, I-34149, Trieste (Italy); Janowitz, C. [Institute of Physics, Humboldt-University of Berlin, Newtonst. 15, D-12489, Berlin (Germany)

    2017-02-28

    Highlights: • Angle resolved photoemission spectroscopy (ARPES). • Charge density wave (CDW). • TiSe{sub 2}- Splitting of the conduction bands. Horizontal and vertical polarizations. Temperature dependence. - Abstract: Very high resolution angular resolved photoemission (ARPES) spectra on TiSe{sub 2} in two distinct polarization geometries (vertical and horizontal) at temperatures between 300 K and 22 K enabled the observation of details of bands near the Fermi level not reported so far. Calculations of the electronic band structure based on density functional theory (DFT) using B3LYP hybrid functional and MBJ potential (with and without spin-orbit coupling) were performed to obtain the orbital symmetry and dispersion. Two degenerate conduction bands (CB’s) were observed at the Γ-point, a weak CB- emission at the A-point, and two non degenerate CB’s (i.e. splitting of CB) at the M/L-point of the Brillouin Zone (BZ). The splitting was detected at L for both polarizations, while at M remarkably only for horizontal polarization. These results cannot be fully accounted for by current theories for the charge density wave (CDW) and point to a reduced symmetry of the electronic states, possibly due to the chiral CDW.

  14. Splitting Strip Detector Clusters in Dense Environments

    CERN Document Server

    Nachman, Benjamin Philip; The ATLAS collaboration

    2018-01-01

    Tracking in high density environments, particularly in high energy jets, plays an important role in many physics analyses at the LHC. In such environments, there is significant degradation of track reconstruction performance. Between runs 1 and 2, ATLAS implemented an algorithm that splits pixel clusters originating from multiple charged particles, using charge information, resulting in the recovery of much of the lost efficiency. However, no attempt was made in prior work to split merged clusters in the Semi Conductor Tracker (SCT), which does not measure charge information. In spite of the lack of charge information in SCT, a cluster-splitting algorithm has been developed in this work. It is based primarily on the difference between the observed cluster width and the expected cluster width, which is derived from track incidence angle. The performance of this algorithm is found to be competitive with the existing pixel cluster splitting based on track information.

  15. Orientation and Order of the Amide Group of Sphingomyelin in Bilayers Determined by Solid-State NMR

    Science.gov (United States)

    Matsumori, Nobuaki; Yamaguchi, Toshiyuki; Maeta, Yoshiko; Murata, Michio

    2015-01-01

    Sphingomyelin (SM) and cholesterol (Chol) are considered essential for the formation of lipid rafts; however, the types of molecular interactions involved in this process, such as intermolecular hydrogen bonding, are not well understood. Since, unlike other phospholipids, SM is characterized by the presence of an amide group, it is essential to determine the orientation of the amide and its order in the lipid bilayers to understand the nature of the hydrogen bonds in lipid rafts. For this study, 1′-13C-2-15N-labeled and 2′-13C-2-15N-labeled SMs were prepared, and the rotational-axis direction and order parameters of the SM amide in bilayers were determined based on 13C and 15N chemical-shift anisotropies and intramolecular 13C-15N dipole coupling constants. Results revealed that the amide orientation was minimally affected by Chol, whereas the order was enhanced significantly in its presence. Thus, Chol likely promotes the formation of an intermolecular hydrogen-bond network involving the SM amide without significantly changing its orientation, providing a higher order to the SM amide. To our knowledge, this study offers new insight into the significance of the SM amide orientation with regard to molecular recognition in lipid rafts, and therefore provides a deeper understanding of the mechanism of their formation. PMID:26083921

  16. Confinement induced ordering in dewetting of ultra-thin polymer bilayers on nanopatterned substrates.

    Science.gov (United States)

    Bhandaru, Nandini; Das, Anuja; Mukherjee, Rabibrata

    2016-01-14

    We report the dewetting of a thin bilayer of polystyrene (PS) and poly(methylmethacrylate) (PMMA) on a topographically patterned nonwettable substrate comprising an array of pillars, arranged in a square lattice. With a gradual increase in the concentration of the PMMA solution (Cn-PMMA), the morphology of the bottom layer changes to: (1) an aligned array of spin dewetted droplets arranged along substrate grooves at very low Cn-PMMA; (2) an interconnected network of threads surrounding each pillar at intermediate Cn-PMMA; and (3) a continuous bottom layer at higher Cn-PMMA. On the other hand the morphology of the PS top layer depends largely on the nature of the pre-existing bottom layer, in addition to Cn-PS. An ordered array of PMMA core-PS shell droplets forms right after spin coating when both Cn-PMMA and Cn-PS are very low. Bilayers with all other initial configurations evolve during thermal annealing, resulting in a variety of ordered structures. Unique morphologies realized include laterally coexisting structures of the two polymers confined within the substrate grooves due to initial rupture of the bottom layer on the substrate followed by a squeezing flow of the top layer; an array of core-shell and single polymer droplets arranged in an alternating order etc., to highlight a few. Such structures cannot be fabricated by any stand-alone lithography technique. On the other hand, in some cases the partially dewetted bottom layer imparts stability to an intact top PS layer against dewetting. Apart from ordering, under certain specific conditions significant miniaturization and downsizing of dewetted feature periodicity and dimension as compared to dewetting of a single layer on a flat substrate is observed. With the help of a morphology phase diagram we show that ordering is achieved over a wide combination of Cn-PMMA and Cn-PS, though the morphology and dewetting pathway differs significantly with variation in the thickness of the individual layers.

  17. Dynamics, Surface Electrostatics and Phase Properties of Nanoscale Curved Lipid Bilayers

    Science.gov (United States)

    Koolivand, Amir

    phase of the bilayer was higher in smaller vesicles likely due to a larger number of defects in smaller vesicles allowing more water soluble molecules partitioning into lipid bilayers. However, the rotational correlation time for TEMPO slows down in smaller vesicles indicating an increase in the lipid packing. Pulsed EPR techniques, HYSCORE and ESEEM spectroscopy, were used to detect local water concentration and distinguish the hydrogen bonded water to the nitroxide from the bulk one. HYSCORE was then employed to investigate the effect of bilayer curvature on the water penetration into lipid bilayer and it was found that the higher curved lipids allow more water to penetrate into lipid bilayer as a result of more defects in the highly curved lipid vesicles. Nanopore-confined lipid bilayers formed inside ordered nanochannels of anodic aluminum oxide (AAO) have found many practical applications, serving as thermodynamically stable biophysical models of cellular membranes of concave curvature and allowing for stabilization of membrane proteins in functional conformations. It was found that surface potential of POPG lipids inside the AAO pores are higher than that of vesicles---the effect that is attributed to highly ordered and packed lipids inside the AAO nanopores. At pH=7.0 the AAO zeta potential was found to be -29+/-0.64 mV. Cytochrome C and poly glutamic acid as positively and negatively charged macromolecules in physiological pH (7.4) were used to prepare multilayer protein nanotubes and cytochrome c interaction with AAO was studied by CD and UV-Vis spectroscopy. Lipid nanotube arrays containing a transmembrane WALP peptide were also formed and these macroscopically aligned lipid nanotubes were studied by CD spectroscopy. The lipid phase transition of DMPC and binding of melittin, an antibacterial peptide model, were observed from a frequency change for the QCM quartz-AAO-Lipid as a promising "biosensor".

  18. A drift-diffusion-reaction model for excitonic photovoltaic bilayers: Photovoltaic bilayers: Asymptotic analysis and a 2D hdg finite element scheme

    KAUST Repository

    Brinkman, Daniel; Fellner, Klemens J.; Markowich, Peter A.; Wolfram, Marie Therese

    2013-01-01

    We present and discuss a mathematical model for the operation of bilayer organic photovoltaic devices. Our model couples drift-diffusion-recombination equations for the charge carriers (specifically, electrons and holes) with a reaction

  19. Electromagnetic coupling of spins and pseudospins in bilayer graphene

    Science.gov (United States)

    Winkler, R.; Zülicke, U.

    2015-03-01

    We present a theoretical study of bilayer-graphene's electronic properties in the presence of electric and magnetic fields. In contrast to known materials, including single-layer graphene, any possible coupling of physical quantities to components of the electric field has a counterpart where the analogous component of the magnetic field couples to exactly the same quantities. For example, a purely electric spin splitting appears as the magneto-electric analogue of the magnetic Zeeman spin splitting. The measurable thermodynamic response induced by magnetic and electric fields is thus completely symmetric. The Pauli magnetization induced by a magnetic field takes exactly the same functional form as the polarization induced by an electric field. Although they seem counterintuitive, our findings are consistent with fundamental principles such as time reversal symmetry. For example, only a magnetic field can give rise to a macroscopic spin polarization, whereas only a perpendicular electric field can induce a macroscopic polarization of the sublattice-related pseudospin in bilayer graphene. These rules enforced by symmetry for the matter-field interactions clarify the nature of spins versus pseudospins. We have obtained numerical values of prefactors for relevant terms. NSF Grant DMR-1310199 and Marsden Fund Contract No. VUW0719.

  20. Temperature-dependent vibrational spectroscopy to study order-disorder transitions in charge transfer complexes

    Science.gov (United States)

    Isaac, Rohan; Goetz, Katelyn P.; Roberts, Drew; Jurchescu, Oana D.; McNeil, L. E.

    2018-02-01

    Charge-transfer (CT) complexes are a promising class of materials for the semiconductor industry because of their versatile properties. This class of compounds shows a variety of phase transitions, which are of interest because of their potential impact on the electronic characteristics. Here temperature-dependent vibrational spectroscopy is used to study structural phase transitions in a set of organic CT complexes. Splitting and broadening of infrared-active phonons in the complex formed between pyrene and pyromellitic dianhydride (PMDA) confirm the structural transition is of the order-disorder type and complement previous x-ray diffraction (XRD) results. We show that this technique is a powerful tool to characterize transitions, and apply it to a range of binary CT complexes composed of polyaromatic hyrdocarbons (anthracene, perylene, phenanthrene, pyrene, and stilbene) and PMDA. We extend the understanding of transitions in perylene-PMDA and pyrene-PMDA, and show that there are no order-disorder transitions present in anthracene-PMDA, stilbene-PMDA and phenanthrene-PMDA in the temperature range investigated here.

  1. ADI splitting schemes for a fourth-order nonlinear partial differential equation from image processing

    KAUST Repository

    Calatroni, Luca

    2013-08-01

    We present directional operator splitting schemes for the numerical solution of a fourth-order, nonlinear partial differential evolution equation which arises in image processing. This equation constitutes the H -1-gradient flow of the total variation and represents a prototype of higher-order equations of similar type which are popular in imaging for denoising, deblurring and inpainting problems. The efficient numerical solution of this equation is very challenging due to the stiffness of most numerical schemes. We show that the combination of directional splitting schemes with implicit time-stepping provides a stable and computationally cheap numerical realisation of the equation.

  2. ADI splitting schemes for a fourth-order nonlinear partial differential equation from image processing

    KAUST Repository

    Calatroni, Luca; Dü ring, Bertram; Schö nlieb, Carola-Bibiane

    2013-01-01

    We present directional operator splitting schemes for the numerical solution of a fourth-order, nonlinear partial differential evolution equation which arises in image processing. This equation constitutes the H -1-gradient flow of the total variation and represents a prototype of higher-order equations of similar type which are popular in imaging for denoising, deblurring and inpainting problems. The efficient numerical solution of this equation is very challenging due to the stiffness of most numerical schemes. We show that the combination of directional splitting schemes with implicit time-stepping provides a stable and computationally cheap numerical realisation of the equation.

  3. Charge ordering in the rare earth manganates: the experimental situation

    International Nuclear Information System (INIS)

    Rao, C.N.R.; Cheetham, A.K.; Raveau, Bernard

    2000-01-01

    Charge-ordered phases of rare earth manganates are novel manifestations arising from interactions between the charge carriers and phonons, giving rise to the localization of carriers at specific sites in the lattice below a certain temperature. Accompanying this phenomenon, the Mn 3+ (e g ) orbitals and the associated lattice distortions also exhibit long range ordering (orbital ordering). What makes the manganates even more interesting is the occurrence of complex spin ordering related to anisotropic magnetic interactions. In this article, we discuss the emerging scenario of charge-ordered rare earth manganates in the light of specific case studies and highlight some of the new experimental findings related to spin, orbital and charge ordering. We also examine features such as the charge stripes and phase separation found experimentally in these materials, and discuss the factors that affect charge-ordering such as the size of A-site cations and magnetic and electric fields, as well as isotopic and chemical substitutions. (author)

  4. Structural and electronic transformation in low-angle twisted bilayer graphene

    Science.gov (United States)

    Gargiulo, Fernando; Yazyev, Oleg V.

    2018-01-01

    Experiments on bilayer graphene unveiled a fascinating realization of stacking disorder where triangular domains with well-defined Bernal stacking are delimited by a hexagonal network of strain solitons. Here we show by means of numerical simulations that this is a consequence of a structural transformation of the moiré pattern inherent to twisted bilayer graphene taking place at twist angles θ below a crossover angle θ\\star=1.2\\circ . The transformation is governed by the interplay between the interlayer van der Waals interaction and the in-plane strain field, and is revealed by a change in the functional form of the twist energy density. This transformation unveils an electronic regime characteristic of vanishing twist angles in which the charge density converges, though not uniformly, to that of ideal bilayer graphene with Bernal stacking. On the other hand, the stacking domain boundaries form a distinct charge density pattern that provides the STM signature of the hexagonal solitonic network.

  5. Coupling between Spin and Charge Order Driven by Magnetic Field in Triangular Ising System LuFe2O4+δ

    Directory of Open Access Journals (Sweden)

    Lei Ding

    2018-02-01

    Full Text Available We present a study of the magnetic-field effect on spin correlations in the charge ordered triangular Ising system LuFe2O4+δ through single crystal neutron diffraction. In the absence of a magnetic field, the strong diffuse neutron scattering observed below the Neel temperature (TN = 240 K indicates that LuFe2O4+δ shows short-range, two-dimensional (2D correlations in the FeO5 triangular layers, characterized by the development of a magnetic scattering rod along the 1/3 1/3 L direction, persisting down to 5 K. We also found that on top of the 2D correlations, a long range ferromagnetic component associated with the propagation vector k1 = 0 sets in at around 240 K. On the other hand, an external magnetic field applied along the c-axis effectively favours a three-dimensional (3D spin correlation between the FeO5 bilayers evidenced by the increase of the intensity of satellite reflections with propagation vector k2 = (1/3, 1/3, 3/2. This magnetic modulation is identical to the charge ordered superstructure, highlighting the field-promoted coupling between the spin and charge degrees of freedom. Formation of the 3D spin correlations suppresses both the rod-type diffuse scattering and the k1 component. Simple symmetry-based arguments provide a natural explanation of the observed phenomenon and put forward a possible charge redistribution in the applied magnetic field.

  6. Tunneling Plasmonics in Bilayer Graphene.

    Science.gov (United States)

    Fei, Z; Iwinski, E G; Ni, G X; Zhang, L M; Bao, W; Rodin, A S; Lee, Y; Wagner, M; Liu, M K; Dai, S; Goldflam, M D; Thiemens, M; Keilmann, F; Lau, C N; Castro-Neto, A H; Fogler, M M; Basov, D N

    2015-08-12

    We report experimental signatures of plasmonic effects due to electron tunneling between adjacent graphene layers. At subnanometer separation, such layers can form either a strongly coupled bilayer graphene with a Bernal stacking or a weakly coupled double-layer graphene with a random stacking order. Effects due to interlayer tunneling dominate in the former case but are negligible in the latter. We found through infrared nanoimaging that bilayer graphene supports plasmons with a higher degree of confinement compared to single- and double-layer graphene, a direct consequence of interlayer tunneling. Moreover, we were able to shut off plasmons in bilayer graphene through gating within a wide voltage range. Theoretical modeling indicates that such a plasmon-off region is directly linked to a gapped insulating state of bilayer graphene, yet another implication of interlayer tunneling. Our work uncovers essential plasmonic properties in bilayer graphene and suggests a possibility to achieve novel plasmonic functionalities in graphene few-layers.

  7. Selfenergy effect on the magnetic ordering transition in the mono- and bilayer honeycomb Hubbard model

    Energy Technology Data Exchange (ETDEWEB)

    Honerkamp, Carsten [Institute for Theoretical Solid State Physics, RWTH Aachen University (Germany); JARA - Fundamentals of Future Information Technology, Aachen (Germany)

    2017-11-15

    We investigate the impact of electron self-energy corrections on potential antiferromagnetic ordering instabilities in mono- and bilayer graphene, modeled by a Hubbard-type lattice model with onsite interactions among the electrons, using a self-consistent random phase approximation (RPA). In qualitative agreement with earlier studies we find that the electronic interactions cause non-Fermi liquid behavior at low energies. In self-consistent RPA, the transition scales for antiferromagnetic ordering are renormalized significantly by these self-energy effects, both for interaction-driven and temperature-driven cases. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. The Integrin Receptor in Biologically Relevant Bilayers

    DEFF Research Database (Denmark)

    Kalli, Antreas C.; Róg, Tomasz; Vattulainen, Ilpo

    2017-01-01

    /talin complex was inserted in biologically relevant bilayers that resemble the cell plasma membrane containing zwitterionic and charged phospholipids, cholesterol and sphingolipids to study the dynamics of the integrin receptor and its effect on bilayer structure and dynamics. The results of this study...... demonstrate the dynamic nature of the integrin receptor and suggest that the presence of the integrin receptor alters the lipid organization between the two leaflets of the bilayer. In particular, our results suggest elevated density of cholesterol and of phosphatidylserine lipids around the integrin....../talin complex and a slowing down of lipids in an annulus of ~30 Å around the protein due to interactions between the lipids and the integrin/talin F2–F3 complex. This may in part regulate the interactions of integrins with other related proteins or integrin clustering thus facilitating signal transduction...

  9. Second-order splitting schemes for a class of reactive systems

    International Nuclear Information System (INIS)

    Ren Zhuyin; Pope, Stephen B.

    2008-01-01

    We consider the numerical time integration of a class of reaction-transport systems that are described by a set of ordinary differential equations for primary variables. In the governing equations, the terms involved may require the knowledge of secondary variables, which are functions of the primary variables. Specifically, we consider the case where, given the primary variables, the evaluation of the secondary variables is computationally expensive. To solve this class of reaction-transport equations, we develop and demonstrate several computationally efficient splitting schemes, wherein the portions of the governing equations containing chemical reaction terms are separated from those parts containing the transport terms. A computationally efficient solution to the transport sub-step is achieved through the use of linearization or predictor-corrector methods. The splitting schemes are applied to the reactive flow in a continuously stirred tank reactor (CSTR) with the Davis-Skodjie reaction model, to the CO+H 2 oxidation in a CSTR with detailed chemical kinetics, and to a reaction-diffusion system with an extension of the Oregonator model of the Belousov-Zhabotinsky reaction. As demonstrated in the test problems, the proposed splitting schemes, which yield efficient solutions to the transport sub-step, achieve second-order accuracy in time

  10. Charge ordering in two-dimensional ionic liquids

    Science.gov (United States)

    Perera, Aurélien; Urbic, Tomaz

    2018-04-01

    The structural properties of model two-dimensional (2D) ionic liquids are examined, with a particular focus on the charge ordering process, with the use of computer simulation and integral equation theories. The influence of the logarithmic form of the Coulomb interaction, versus that of a 3D screened interaction form, is analysed. Charge order is found to hold and to be analogous for both interaction models, despite their very different form. The influence of charge ordering in the low density regime is discussed in relation to well known properties of 2D Coulomb fluids, such as the Kosterlitz-Thouless transition and criticality. The present study suggests the existence of a stable thermodynamic labile cluster phase, implying the existence of a liquid-liquid "transition" above the liquid-gas binodal. The liquid-gas and Kosterlitz-Thouless transitions would then take place inside the predicted cluster phase.

  11. Anomalous conductivity noise in gapped bilayer graphene heterostructure

    Science.gov (United States)

    Aamir, Mohammed Ali; Karnatak, Paritosh; Sai, T. Phanindra; Ghosh, Arindam

    Bilayer graphene has unique electronic properties - it has a tunable band gap and also, valley symmetry and pseudospin degree of freedom like its single layer counterpart. In this work, we present a study of conductance fluctuations in dual gated bilayer graphene heterostructures by varying the Fermi energy and the band gap independently. At a fixed band gap, we find that the conductance fluctuations obtained by Fermi energy ensemble sampling increase rapidly as the Fermi energy is tuned to charge neutrality point (CNP) whereas the time-dependent conductance fluctuations diminish rapidly. This discrepancy is completely absent at higher number densities, where the transport is expected to be through the 2D bulk of the bilayer system. This observation indicates that near the CNP, electrical transport is highly sensitive to Fermi energy, but becomes progressively immune to time-varying disorder. A possible explanation may involve transport via edge states which becomes the dominant conduction mechanism when the bilayer graphene is gapped and Fermi energy is situated close to the CNP, thereby causing a dimensional crossover from 2D to 1D transport. Our experiment outlines a possible experimental protocol to probe intrinsic topological states in gapped bilayer graphene.

  12. Josephson tunneling in bilayer quantum Hall system

    International Nuclear Information System (INIS)

    Ezawa, Z.F.; Tsitsishvili, G.; Sawada, A.

    2012-01-01

    A Bose–Einstein condensation is formed by composite bosons in the quantum Hall state. A composite boson carries the fundamental charge (−e). We investigate Josephson tunneling of such charges in the bilayer quantum Hall system at the total filling ν=1. We show the existence of the critical current for the tunneling current to be coherent and dissipationless. Our results explain recent experiments due to [L. Tiemann, Y. Yoon, W. Dietsche, K. von Klitzing, W. Wegscheider, Phys. Rev. B 80 (2009) 165120] and due to [Y. Yoon, L. Tiemann, S. Schmult, W. Dietsche, K. von Klitzing, Phys. Rev. Lett. 104 (2010) 116802]. We predict also how the critical current changes as the sample is tilted in the magnetic field. -- Highlights: ► Composite bosons undergo Bose–Einstein condensation to form the bilayer quantum Hall state. ► A composite boson is a single electron bound to a flux quantum and carries one unit charge. ► Quantum coherence develops due to the condensation. ► Quantum coherence drives the supercurrent in each layer and the tunneling current. ► There exists the critical input current so that the tunneling current is coherent and dissipationless.

  13. Poly(amidoamine) dendrimers on lipid bilayers II: Effects of bilayer phase and dendrimer termination.

    Science.gov (United States)

    Kelly, Christopher V; Leroueil, Pascale R; Orr, Bradford G; Banaszak Holl, Mark M; Andricioaei, Ioan

    2008-08-07

    The molecular structures and enthalpy release of poly(amidoamine) (PAMAM) dendrimers binding to 1,2-dimyristoyl- sn-glycero-3-phosphocholine (DMPC) bilayers were explored through atomistic molecular dynamics. Three PAMAM dendrimer terminations were examined: protonated primary amine, neutral acetamide, and deprotonated carboxylic acid. Fluid and gel lipid phases were examined to extract the effects of lipid tail mobility on the binding of generation-3 dendrimers, which are directly relevant to the nanoparticle interactions involving lipid rafts, endocytosis, lipid removal, and/or membrane pores. Upon binding to gel phase lipids, dendrimers remained spherical, had a constant radius of gyration, and approximately one-quarter of the terminal groups were in close proximity to the lipids. In contrast, upon binding to fluid phase bilayers, dendrimers flattened out with a large increase in their asphericity and radii of gyration. Although over twice as many dendrimer-lipid contacts were formed on fluid versus gel phase lipids, the dendrimer-lipid interaction energy was only 20% stronger. The greatest enthalpy release upon binding was between the charged dendrimers and the lipid bilayer. However, the stronger binding to fluid versus gel phase lipids was driven by the hydrophobic interactions between the inner dendrimer and lipid tails.

  14. Azimuthal angle dependence of the charge imbalance from charge conservation effects

    Science.gov (United States)

    BoŻek, Piotr

    2018-03-01

    The experimental search for the chiral magnetic effect in heavy-ion collisions is based on charge-dependent correlations between emitted particles. Recently, a sensitive observable comparing event-by-event distributions of the charge splitting projected on the directions along and perpendicular to the direction of the elliptic flow has been proposed. The results of a (3 + 1)-dimensional hydrodynamic model show that the preliminary experimental data of the STAR Collaboration can be explained as due to background effects, such as resonance decays and local charge conservation in the particle production. A related observable based on the third-order harmonic flow is proposed to further investigate such background effects in charge-dependent correlations.

  15. Doping dependence of charge order in electron-doped cuprate superconductors

    Science.gov (United States)

    Mou, Yingping; Feng, Shiping

    2017-12-01

    In the recent studies of the unconventional physics in cuprate superconductors, one of the central issues is the interplay between charge order and superconductivity. Here the mechanism of the charge-order formation in the electron-doped cuprate superconductors is investigated based on the t-J model. The experimentally observed momentum dependence of the electron quasiparticle scattering rate is qualitatively reproduced, where the scattering rate is highly anisotropic in momentum space, and is intriguingly related to the charge-order gap. Although the scattering strength appears to be weakest at the hot spots, the scattering in the antinodal region is stronger than that in the nodal region, which leads to the original electron Fermi surface is broken up into the Fermi pockets and their coexistence with the Fermi arcs located around the nodal region. In particular, this electron Fermi surface instability drives the charge-order correlation, with the charge-order wave vector that matches well with the wave vector connecting the hot spots, as the charge-order correlation in the hole-doped counterparts. However, in a striking contrast to the hole-doped case, the charge-order wave vector in the electron-doped side increases in magnitude with the electron doping. The theory also shows the existence of a quantitative link between the single-electron fermiology and the collective response of the electron density.

  16. First- and second-order charged particle optics

    International Nuclear Information System (INIS)

    Brown, K.L.; Servranckx, R.V.

    1984-07-01

    Since the invention of the alternating gradient principle there has been a rapid evolution of the mathematics and physics techniques applicable to charged particle optics. In this publication we derive a differential equation and a matrix algebra formalism valid to second-order to present the basic principles governing the design of charged particle beam transport systems. A notation first introduced by John Streib is used to convey the essential principles dictating the design of such beam transport systems. For example the momentum dispersion, the momentum resolution, and all second-order aberrations are expressed as simple integrals of the first-order trajectories (matrix elements) and of the magnetic field parameters (multipole components) characterizing the system. 16 references, 30 figures

  17. Effect of stacking order on device performance of bilayer black phosphorene-field-effect transistor

    International Nuclear Information System (INIS)

    Mukhopadhyay, A.; Banerjee, L.; Sengupta, A.; Rahaman, H.

    2015-01-01

    We investigate the effect of stacking order of bilayer black phosphorene on the device properties of p-MOSFET and n-MOSFET. Two layers of black phosphorus are stacked in three different orders and are used as channel material in both n-MOSFET and p-MOSFET devices. The effects of different stacking orders on electron and hole effective masses and output characteristics of MOSFETs, such as ON currents, ON/OFF ratio, and transconductance are analyzed. Our results show that about 1.37 times and 1.49 times increase in ON current is possible along armchair and zigzag directions, respectively, 55.11% variation in transconductance is possible along armchair direction, by changing stacking orders (AA, AB, and AC) and about 8 times increase in ON current is achievable by changing channel orientation (armchair or zigzag) in p-MOSFET. About 14.8 mV/V drain induced barrier lowering is observed for both p-MOSFET and n-MOSFET, which signifies good immunity to short channel effects

  18. Effect of stacking order on device performance of bilayer black phosphorene-field-effect transistor

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, A., E-mail: arnabm.electinstru@gmail.com; Banerjee, L.; Sengupta, A.; Rahaman, H. [School of VLSI Technology, IIEST, Shibpur, Howrah 711103 (India)

    2015-12-14

    We investigate the effect of stacking order of bilayer black phosphorene on the device properties of p-MOSFET and n-MOSFET. Two layers of black phosphorus are stacked in three different orders and are used as channel material in both n-MOSFET and p-MOSFET devices. The effects of different stacking orders on electron and hole effective masses and output characteristics of MOSFETs, such as ON currents, ON/OFF ratio, and transconductance are analyzed. Our results show that about 1.37 times and 1.49 times increase in ON current is possible along armchair and zigzag directions, respectively, 55.11% variation in transconductance is possible along armchair direction, by changing stacking orders (AA, AB, and AC) and about 8 times increase in ON current is achievable by changing channel orientation (armchair or zigzag) in p-MOSFET. About 14.8 mV/V drain induced barrier lowering is observed for both p-MOSFET and n-MOSFET, which signifies good immunity to short channel effects.

  19. Temperature-dependent vibrational spectroscopy to study order-disorder transitions in charge transfer complexes

    Directory of Open Access Journals (Sweden)

    Rohan Isaac

    2018-02-01

    Full Text Available Charge-transfer (CT complexes are a promising class of materials for the semiconductor industry because of their versatile properties. This class of compounds shows a variety of phase transitions, which are of interest because of their potential impact on the electronic characteristics. Here temperature-dependent vibrational spectroscopy is used to study structural phase transitions in a set of organic CT complexes. Splitting and broadening of infrared-active phonons in the complex formed between pyrene and pyromellitic dianhydride (PMDA confirm the structural transition is of the order-disorder type and complement previous x-ray diffraction (XRD results. We show that this technique is a powerful tool to characterize transitions, and apply it to a range of binary CT complexes composed of polyaromatic hyrdocarbons (anthracene, perylene, phenanthrene, pyrene, and stilbene and PMDA. We extend the understanding of transitions in perylene-PMDA and pyrene-PMDA, and show that there are no order-disorder transitions present in anthracene-PMDA, stilbene-PMDA and phenanthrene-PMDA in the temperature range investigated here.

  20. Dispersion of fullerenes in phospholipid bilayers and the subsequent phase changes in the host bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Jeng, U-S. [National Synchrotron Radiation Research Center, Hsinchu 30077, Taiwan (China)]. E-mail: usjeng@nsrrc.org.tw; Hsu, C.-H. [National Synchrotron Radiation Research Center, Hsinchu 30077, Taiwan (China); Lin, T.-L. [Department of Engineering and System Science, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Wu, C.-M. [Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Chen, H.-L. [Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Tai, L.-A. [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Hwang, K.-C. [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

    2005-02-28

    We have studied the structure and phase transition characteristics of the fullerenes (C{sub 60})-embedded lipid bilayers. With small-angle neutron scattering (SANS), we have observed a degradation of bilayer ordering and a suppression effect on the phase transitions of the host vesicle bilayers of dipalmitoylphosphatidylcholine (DPPC), due to the embedment of fullerenes. The fullerene-embedded lipid system with substrate-oriented bilayers is also investigated using X-ray reflectivity and grazing incident small-angle X-ray scattering (GISAXS). In the depth direction, the multilamellar peaks observed in the X-ray reflectivity profile for the oriented DPPC/C{sub 60} bilayers reveal a larger head-to-head distance D{sub HH} of 50.6 A and a bilayer spacing D of 59.8 A, compared to the D{sub HH}=47.7 A and D=59.5 A for a pure DPPC membrane measured at the same conditions. Furthermore, the lipid head layers and water layers in the extracted electron density profile for the complex system are highly smeared, implying a fluctuating or corrugated structure in this zone. Correspondingly, GISAXS for the oriented DPPC/C{sub 60} membrane reveals stronger diffuse scatterings along the membrane plane than that for the pure DPPC system, indicating a higher in-plane correlation associated with the embedded fullerenes.

  1. Direct measurement of discrete valley and orbital quantum numbers in bilayer graphene.

    Science.gov (United States)

    Hunt, B M; Li, J I A; Zibrov, A A; Wang, L; Taniguchi, T; Watanabe, K; Hone, J; Dean, C R; Zaletel, M; Ashoori, R C; Young, A F

    2017-10-16

    The high magnetic field electronic structure of bilayer graphene is enhanced by the spin, valley isospin, and an accidental orbital degeneracy, leading to a complex phase diagram of broken symmetry states. Here, we present a technique for measuring the layer-resolved charge density, from which we directly determine the valley and orbital polarization within the zero energy Landau level. Layer polarization evolves in discrete steps across 32 electric field-tuned phase transitions between states of different valley, spin, and orbital order, including previously unobserved orbitally polarized states stabilized by skew interlayer hopping. We fit our data to a model that captures both single-particle and interaction-induced anisotropies, providing a complete picture of this correlated electron system. The resulting roadmap to symmetry breaking paves the way for deterministic engineering of fractional quantum Hall states, while our layer-resolved technique is readily extendable to other two-dimensional materials where layer polarization maps to the valley or spin quantum numbers.The phase diagram of bilayer graphene at high magnetic fields has been an outstanding question, with orders possibly between multiple internal quantum degrees of freedom. Here, Hunt et al. report the measurement of the valley and orbital order, allowing them to directly reconstruct the phase diagram.

  2. Probing Lipid Bilayers under Ionic Imbalance.

    Science.gov (United States)

    Lin, Jiaqi; Alexander-Katz, Alfredo

    2016-12-06

    Biological membranes are normally under a resting transmembrane potential (TMP), which originates from the ionic imbalance between extracellular fluids and cytosols, and serves as electric power storage for cells. In cell electroporation, the ionic imbalance builds up a high TMP, resulting in the poration of cell membranes. However, the relationship between ionic imbalance and TMP is not clearly understood, and little is known about the effect of ionic imbalance on the structure and dynamics of biological membranes. In this study, we used coarse-grained molecular dynamics to characterize a dipalmitoylphosphatidylcholine bilayer system under ionic imbalances ranging from 0 to ∼0.06 e charges per lipid (e/Lip). We found that the TMP displayed three distinct regimes: 1) a linear regime between 0 and 0.045 e/Lip, where the TMP increased linearly with ionic imbalance; 2) a yielding regime between ∼0.045 and 0.060 e/Lip, where the TMP displayed a plateau; and 3) a poration regime above ∼0.060 e/Lip, where we observed pore formation within the sampling time (80 ns). We found no structural changes in the linear regime, apart from a nonlinear increase in the area per lipid, whereas in the yielding regime the bilayer exhibited substantial thinning, leading to an excess of water and Na + within the bilayer, as well as significant misalignment of the lipid tails. In the poration regime, lipid molecules diffused slightly faster. We also found that the fluid-to-gel phase transition temperature of the bilayer dropped below the normal value with increased ionic imbalances. Our results show that a high ionic imbalance can substantially alter the essential properties of the bilayer, making the bilayer more fluid like, or conversely, depolarization of a cell could in principle lead to membrane stiffening. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  3. Multiferroic nature of charge-ordered rare earth manganites

    International Nuclear Information System (INIS)

    Serrao, Claudy Rayan; Sundaresan, A; Rao, C N R

    2007-01-01

    Charge-ordered rare earth manganites Nd 0.5 Ca 0.5 MnO 3 ,La 0.25 Nd 0.25 Ca 0.5 MnO 3 , Pr 0.7 Ca 0.3 MnO 3 and Pr 0.6 Ca 0.4 MnO 3 are found to exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperatures. Magnetic fields have a marked effect on the dielectric properties, indicating the presence of coupling between the magnetic and electrical order parameters. The observation of magnetoferroelectricity in these manganites is in accord with the recent theoretical predictions of Khomskii and co-workers

  4. A Preconditioning Technique for First-Order Primal-Dual Splitting Method in Convex Optimization

    Directory of Open Access Journals (Sweden)

    Meng Wen

    2017-01-01

    Full Text Available We introduce a preconditioning technique for the first-order primal-dual splitting method. The primal-dual splitting method offers a very general framework for solving a large class of optimization problems arising in image processing. The key idea of the preconditioning technique is that the constant iterative parameters are updated self-adaptively in the iteration process. We also give a simple and easy way to choose the diagonal preconditioners while the convergence of the iterative algorithm is maintained. The efficiency of the proposed method is demonstrated on an image denoising problem. Numerical results show that the preconditioned iterative algorithm performs better than the original one.

  5. Interaction of Cecropin B with Zwitterionic and Negatively Charged Lipid Bilayers Immobilized at Gold Electrode Surface

    International Nuclear Information System (INIS)

    Juhaniewicz, Joanna; Szyk-Warszyńska, Lilianna; Warszyński, Piotr; Sęk, Sławomir

    2016-01-01

    Membranolytic properties of cationic antimicrobial peptide cecropin B were investigated using electrochemical techniques, atomic force microscopy and quartz crystal microbalance with dissipation monitoring. Two types of artificial lipid bilayers supported on gold electrode were used as model systems composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) and cholesterol (Chol) at 7:3 molar ratio and L-α-phosphatidylethanolamine (E. coli) (PE), L-α-phosphatidylglycerol sodium salt (E. coli) (PG) at 8:2 molar ratio. Thus the lipid content was intended to represent either mammalian or bacterial membrane respectively. Model bilayers were exposed to cecropin B at 1 μM concentration and the changes in bilayer structure, permeability and morphology were monitored as a function of time. We have found that cecropin B does not show any pronounced effect on POPC/Chol bilayer, while PE/PG system was strongly affected in the presence of the peptide. This observation suggests that cecropin B shows some selectivity with respect to lipid composition of the membrane. In case of PE/PG membrane, we have observed that peptide action involves electrostatically driven adsorption of the cecropin B at the top of the bilayer with simultaneous fluidization and swelling of the membrane. The latter may facilitate the rearrangement and insertion of the molecules into the core of the lipid bilayer, which leads to further rupture and degradation of the film through formation of mixed peptide-lipid aggregates.

  6. Accelerating Convergence in Molecular Dynamics Simulations of Solutes in Lipid Membranes by Conducting a Random Walk along the Bilayer Normal.

    Science.gov (United States)

    Neale, Chris; Madill, Chris; Rauscher, Sarah; Pomès, Régis

    2013-08-13

    All molecular dynamics simulations are susceptible to sampling errors, which degrade the accuracy and precision of observed values. The statistical convergence of simulations containing atomistic lipid bilayers is limited by the slow relaxation of the lipid phase, which can exceed hundreds of nanoseconds. These long conformational autocorrelation times are exacerbated in the presence of charged solutes, which can induce significant distortions of the bilayer structure. Such long relaxation times represent hidden barriers that induce systematic sampling errors in simulations of solute insertion. To identify optimal methods for enhancing sampling efficiency, we quantitatively evaluate convergence rates using generalized ensemble sampling algorithms in calculations of the potential of mean force for the insertion of the ionic side chain analog of arginine in a lipid bilayer. Umbrella sampling (US) is used to restrain solute insertion depth along the bilayer normal, the order parameter commonly used in simulations of molecular solutes in lipid bilayers. When US simulations are modified to conduct random walks along the bilayer normal using a Hamiltonian exchange algorithm, systematic sampling errors are eliminated more rapidly and the rate of statistical convergence of the standard free energy of binding of the solute to the lipid bilayer is increased 3-fold. We compute the ratio of the replica flux transmitted across a defined region of the order parameter to the replica flux that entered that region in Hamiltonian exchange simulations. We show that this quantity, the transmission factor, identifies sampling barriers in degrees of freedom orthogonal to the order parameter. The transmission factor is used to estimate the depth-dependent conformational autocorrelation times of the simulation system, some of which exceed the simulation time, and thereby identify solute insertion depths that are prone to systematic sampling errors and estimate the lower bound of the

  7. The search for competing charge orders in frustrated ladder systems

    International Nuclear Information System (INIS)

    Lal, Siddhartha; Laad, Mukul S.

    2007-08-01

    A recent study revealed the dynamics of the charge sector of a one-dimensional quarter- filled electronic system with extended Hubbard interactions to be that of an effective pseudospin transverse-field Ising model (TFIM) in the strong coupling limit. With the twin motivations of studying the co-existing charge and spin order found in strongly correlated chain systems and the effects of inter-chain couplings, we investigate the phase diagram of coupled effective (TFIM) systems. A bosonisation and RG analysis for a two-leg TFIM ladder yields a rich phase diagram showing Wigner/Peierls charge order and Neel/dimer spin order. In a broad parameter regime, the orbital antiferromagnetic phase is found to be stable. An intermediate gapless phase of finite width is found to lie in between two charge-ordered gapped phases. Kosterlitz-Thouless transitions are found to lead from the gapless phase to either of the charge-ordered phases. Low energy effective Hamiltonian analyses of a strongly coupled 2-chain ladder system confirm a phase diagram with in-chain CO, rung-dimer, and orbital antiferromagnetic ordered phases with varying interchain couplings as well as superconductivity upon hole-doping. Our work is potentially relevant for a unified description of a class of strongly correlated, quarter-filled chain and ladder systems. (autor)

  8. Observation of undulation motion of lipid bilayers by neutron spin echo

    International Nuclear Information System (INIS)

    Yamada, Norifumi L.; Seto, Hideki; Hishida, Mafumi

    2010-01-01

    Aqueous solutions of synthesized phospholipids have been well investigated as model biomembranes. These lipids usually self-assemble into regular stacks of bilayers with a characteristic repeat distance on the order of nm, whereas real biomembrane exist as single bilayers. The key phenomenon in understanding the formation of single isolated bilayers in 'unbinding' of lipid bilayers, in which the inter-bilayer distance of lipid bilayers diverges by the steric interaction due to the membrane undulation. In this paper, we show some results of neutron spin-echo (NSE) experiments to investigate the effect of the steric interaction on unbinding and related phenomena. (author)

  9. Self-Assembling of Tetradecylammonium Chain on Swelling High Charge Micas (Na-Mica-3 and Na-Mica-2): Effect of Alkylammonium Concentration and Mica Layer Charge.

    Science.gov (United States)

    Pazos, M Carolina; Cota, Agustín; Osuna, Francisco J; Pavón, Esperanza; Alba, María D

    2015-04-21

    A family of tetradecylammonium micas is synthesized using synthetic swelling micas with high layer charge (Na(n)Si(8-n)Al(n)Mg6F4O20·XH2O, where n = 2 and 3) exchanged with tetradecylammonium cations. The molecular arrangement of the surfactant is elucidated on the basis of XRD patterns and DTA. The ordering conformation of the surfactant molecules into the interlayer space of micas is investigated by IR/FT, (13)C, (27)Al, and (29)Si MAS NMR. The structural arrangement of the tetradecylammonium cation in the interlayer space of high-charge micas is more sensitive to the effect of the mica layer charge at high concentration. The surfactant arrangement is found to follow the bilayer-paraffin model for all values of layer charge and surfactant concentration. However, at initial concentration below the mica CEC, a lateral monolayer is also observed. The amount of ordered conformation all-trans is directly proportional to the layer charge and surfactant concentration.

  10. Transfer matrix theory of monolayer graphene/bilayer graphene heterostructure superlattice

    International Nuclear Information System (INIS)

    Wang, Yu

    2014-01-01

    We have formulated a transfer matrix method to investigate electronic properties of graphene heterostructure consisting of monolayer graphene and bilayer counterpart. By evaluating transmission, conductance, and band dispersion, we show that, irrespective of the different carrier chiralities in monolayer graphene and bilayer graphene, superlattice consisting of biased bilayer graphene barrier and monolayer graphene well can mimic the electronic properties of conventional semiconductor superlattice, displaying the extended subbands in the quantum tunneling regime and producing anisotropic minigaps for the classically allowed transport. Due to the lateral confinement, the lowest mode has shifted away from the charge neutral point of monolayer graphene component, opening a sizeable gap in concerned structure. Following the gate-field and geometry modulation, all electronic states and gaps between them can be externally engineered in an electric-controllable strategy.

  11. 1,2-Dielaidoylphosphocholine/1,2-dimyristoylphosphoglycerol supported phospholipid bilayer formation in calcium and calcium-free buffer

    International Nuclear Information System (INIS)

    Evans, Kervin O.

    2012-01-01

    Phospholipid membranes are useful in the field of biocatalysis because a supported phospholipid membrane can create a biomimetic platform where biocatalytic processes can readily occur. In this work, supported bilayer formation from sonicated phospholipid vesicles containing 1,2-dielaidoyl-sn-glycero-3-phosphocholine and 1,2-dimyristoyl-sn-glycero-3-[phospho-rac-(1-glycerol)] was studied using a quartz crystal microbalance with dissipation monitoring and an atomic force microscope. The molar percentages of DEPC and DMPG were varied to determine the effect of overall lipid composition on supported bilayer formation. This work also explored the effect that calcium ion concentration had on supported bilayer formation. Results show that vesicles with up to 50 mol% dimyristoylphosphoglycerol can form a supported bilayer without the presence of calcium ions; however, supported bilayer formation in calcium buffer was inhibited as the anionic (negatively charged) lipid concentration increased. Data suggest that supported phospholipid bilayer formation in the absence of Ca 2+ from vesicles containing negatively charged lipids is specific to phosphatidylglycerol. - Highlights: ► SPB formation of DEPC vesicles containing 0 to 50 mol% DMPG monitored using QCM-D. ► Ca 2+ inhibited SPB formation of DEPC vesicles containing 30 to 50 mol% DMPG. ► Vesicles containing DMPG at 0 to 50 mol% formed SPB in buffer free of Ca 2+ .

  12. Multiferroic nature of charge-ordered rare earth manganites

    Energy Technology Data Exchange (ETDEWEB)

    Serrao, Claudy Rayan [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India); Sundaresan, A [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India); Rao, C N R [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India)

    2007-12-12

    Charge-ordered rare earth manganites Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3},La{sub 0.25}Nd{sub 0.25}Ca{sub 0.5}MnO{sub 3}, Pr{sub 0.7}Ca{sub 0.3}MnO{sub 3} and Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} are found to exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperatures. Magnetic fields have a marked effect on the dielectric properties, indicating the presence of coupling between the magnetic and electrical order parameters. The observation of magnetoferroelectricity in these manganites is in accord with the recent theoretical predictions of Khomskii and co-workers.

  13. A novel magnetoresistance induced by charge ordering in ferromagnetic/charge-ordered/ferromagnetic trilayers

    Science.gov (United States)

    Wang, Haiou; Li, Jinwei; Su, Kunpeng; Huo, Dexuan; Tan, Weishi

    2015-10-01

    Microstructure, magnetoresistance (MR) and magnetic properties of Pr0.7Sr0.3MnO3/La0.5Ca0.5MnO3/Pr0.7Sr0.3MnO3 trilayers, which are shown to be tunable with different La0.5Ca0.5MnO3 spacer thickness, are investigated. The trilayer with 6 nm thick La0.5Ca0.5MnO3 spacer show \\text{MR}∼37{%} at 195 K in 1 T and \\text{MR}∼80{%} at 220 K in 9 T, which is realized through the double-exchange mechanism. In contrast, trilayers with the thicker La0.5Ca0.5MnO3 spacer show enhanced MR at a wide low-temperature range. The obtained \\text{MR}∼52{%} at 50 K in 1 T in the trilayer with 18 nm thick La0.5Ca0.5MnO3 spacer is superior to that of other magnetic nanoscales. We surmise that this MR originates in the ferromagnetic/antiferromagnetic competition accompanied with the formation of a charge-ordered antiferromagnetic state and the collapse of the charge-ordered state at the applied magnetic field, rather than in the double-exchange mechanism. Large and tunable MR can be realized by controlling the strain state (the thickness of the La0.5Ca0.5MnO3 spacer), which can be applied in the used devices.

  14. Scaling behavior of the spin pumping effect in conductive ferromagnet/platinum bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Czeschka, Franz D.; Althammer, Matthias; Huebl, Hans; Gross, Rudolf; Goennenwein, Sebastian T.B. [Walther-Meissner-Institut, Bayerische Akademie der Wissenschaften, Garching (Germany); Dreher, Lukas; Brandt, Martin S. [Walter Schottky Institut, Technische Universitaet Muenchen, Garching (Germany); Imort, Inga-Mareen; Reiss, Guenter; Thomas, Andy [Fakultaet fuer Physik, Universitaet Bielefeld (Germany); Schoch, Wladimir; Limmer, Wolfgang [Abteilung Halbleiterphysik, Universitaet Ulm (Germany)

    2011-07-01

    Spin pumping experiments allow to measure spin currents or the spin Hall angle. We have systematically studied the spin pumping DC voltage occurring in conjunction with ferromagnetic resonance in a series of conductive ferromagnet/platinum bilayers, made from elemental 3d transition metals, Heusler compounds, ferrite spinel oxides, and magnetic semiconductors. In all bilayers, we invariably observe the same DC voltage polarity. Moreover, we find that the voltage magnitude scales with the magnetization precession cone angle with a universal prefactor, irrespective of the magnetic properties, the charge carrier transport mechanism, and the charge carrier type in a given ferromagnet. These findings quantitatively corroborate the present theoretical understanding of spin pumping in combination with the inverse spin Hall effect, and establish spin pumping as a generic phenomenon.

  15. Stress Induced Charge-Ordering Process in LiMn_2O_4

    International Nuclear Information System (INIS)

    Chen, Yan; Yu, Dunji; An, Ke

    2016-01-01

    In this letter we report the stress-induced Mn charge-ordering process in the LiMn_2O_4 spinel, evidenced by the lattice strain evolutions due to the Jahn–Teller effects. In situ neutron diffraction reveals the initial stage of this process at low stress, indicating the eg electron localization at the preferential Mn sites during the early phase transition as an underlying charge-ordering mechanism in the charge-frustrated LiMn_2O_4. The initial stage of this transition exhibits as a progressive lattice and charge evolution, without showing a first-order behavior.

  16. Transport properties of monolayer and bilayer graphene p-n junctions with charge puddles in the quantum Hall regime

    International Nuclear Information System (INIS)

    Cheng Shuguang

    2010-01-01

    Recent experiments have confirmed that the electron-hole inhomogeneity in graphene is a new type of charge disorder. Motivated by such confirmation, we theoretically study the transport properties of a monolayer graphene (MLG) based p-n junction and a bilayer graphene (BLG) p-n junction in the quantum Hall regime where electron-hole puddles are considered. By using the non-equilibrium Green function method, both the current and conductance are obtained. We find that, in the presence of the electron-hole inhomogeneity, the lowest quantized conductance plateau at e 2 /h emerges in the MLG p-n junction under very small charge puddle disorder strength. For a BLG p-n junction, however, the conductance in the p-n region is enhanced with charge puddles, and the lowest quantized conductance plateau emerges at 2e 2 /h. Besides, when an ideal quantized conductance plateau is formed for a MLG p-n junction, the universal conductance fluctuation is found to be 2e 2 /3h. Furthermore, we also investigate the influence of Anderson disorder on such p-n junctions and the comparison and discussion are given accordingly. To compare the two models with different types of disorder, we investigate the conductance distribution specially. Finally the influence of disorder strength on the conductance of a MLG p-n junction is investigated.

  17. Splitting Method for Solving the Coarse-Mesh Discretized Low-Order Quasi-Diffusion Equations

    International Nuclear Information System (INIS)

    Hiruta, Hikaru; Anistratov, Dmitriy Y.; Adams, Marvin L.

    2005-01-01

    In this paper, the development is presented of a splitting method that can efficiently solve coarse-mesh discretized low-order quasi-diffusion (LOQD) equations. The LOQD problem can reproduce exactly the transport scalar flux and current. To solve the LOQD equations efficiently, a splitting method is proposed. The presented method splits the LOQD problem into two parts: (a) the D problem that captures a significant part of the transport solution in the central parts of assemblies and can be reduced to a diffusion-type equation and (b) the Q problem that accounts for the complicated behavior of the transport solution near assembly boundaries. Independent coarse-mesh discretizations are applied: the D problem equations are approximated by means of a finite element method, whereas the Q problem equations are discretized using a finite volume method. Numerical results demonstrate the efficiency of the methodology presented. This methodology can be used to modify existing diffusion codes for full-core calculations (which already solve a version of the D problem) to account for transport effects

  18. Ferroelectric ferrimagnetic LiFe2F6 : Charge-ordering-mediated magnetoelectricity

    Science.gov (United States)

    Lin, Ling-Fang; Xu, Qiao-Ru; Zhang, Yang; Zhang, Jun-Jie; Liang, Yan-Ping; Dong, Shuai

    2017-12-01

    Trirutile-type LiFe2F6 is a charge-ordered material with an Fe2 +/Fe3 + configuration. Here, its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On one hand, the charge ordering leads to improper ferroelectricity with a large polarization. On the other hand, its magnetic ground state can be tuned from the antiferromagnetic to ferrimagnetic by moderate compressive strain. Thus, LiFe2F6 can be a rare multiferroic with both large magnetization and polarization. Most importantly, since the charge ordering is the common ingredient for both ferroelectricity and magnetization, the net magnetization may be fully switched by flipping the polarization, rendering intrinsically strong magnetoelectric effects and desirable functions.

  19. Coexistence of charge order and antiferromagnetism in (TMTTF){sub 2}SbF{sub 6}: NMR study

    Energy Technology Data Exchange (ETDEWEB)

    Nomura, K., E-mail: knmr@phys.sci.hokudai.ac.jp; Yamamoto, M.; Matsunaga, N.; Hirose, S.; Shimohara, N.; Satoh, T.; Isome, T.; Liu, Y.; Kawamoto, A.

    2015-03-01

    The electronic state of (TMTTF){sub 2}SbF{sub 6} was investigated by the {sup 1}H and {sup 13}C NMR measurements. The temperature dependence of T{sub 1}{sup −1} in {sup 1}H NMR shows a sharp peak associated with the antiferromagnetic transition at T{sub AF}=6 K. The temperature dependence of T{sub 1}{sup −1} is described by the power law T{sup 2.4} below T{sub AF}. This suggests the nodal gapless spin wave excitation in antiferromagnetic phase. In {sup 13}C NMR, two sharp peaks at high temperature region, associated with the inner and the outer carbon sites in TMTTF dimer, split into four peaks below 150 K. It indicates that the charge disproportionation occurs. The degree of charge disproportionation Δρ is estimated as (0.25±0.09)e from the chemical shift difference. This value of Δρ is consistent with that obtained from the infrared spectroscopy. In the antiferromagnetic state (AFI), the observed line shape is well fitted by eight Lorentzian peaks. This suggests that the charge order with the same degree still remains in the AF state. From the line assignment, the AF staggered spin amplitude is obtained as 0.70 μ{sub B} and 0.24 μ{sub B} at the charge rich and the poor sites, respectively. These values corresponding to almost 1 μ{sub B} per dimer are quite different from 0.11 μ{sub B} of another AF (AFII) state in (TMTTF){sub 2}Br with effective higher pressure. As a result, it is understood that the antiferromagnetic staggered spin order is stabilized on the CO state in the AFI phase of (TMTTF){sub 2}SbF{sub 6}.

  20. Nanoscale Coherence Near Defects: Superconductivity, Spin Ordering, and Their Coexistence

    National Research Council Canada - National Science Library

    Flatté, Michael E

    2001-01-01

    .... Notable results include the use of Ni as a local probe for superconductivity, the lack of splitting from the bilayer of the quasiparticle resonances, and the independence of low-energy quasiparticles...

  1. Spin Hall magnetoresistance in antiferromagnet/normal metal bilayers

    KAUST Repository

    Manchon, Aurelien

    2017-01-01

    We investigate the emergence of spin Hall magnetoresistance in a magnetic bilayer composed of a normal metal adjacent to an antiferromagnet. Based on a recently derived drift diffusion equation, we show that the resistance of the bilayer depends on the relative angle between the direction transverse to the current flow and the Néel order parameter. While this effect presents striking similarities with the spin Hall magnetoresistance recently reported in ferromagnetic bilayers, its physical origin is attributed to the anisotropic spin relaxation of itinerant spins in the antiferromagnet.

  2. Study of Charged particles transport across model and real phospholipid bilayers

    Czech Academy of Sciences Publication Activity Database

    Navrátil, Tomáš; Šestáková, Ivana; Jaklová Dytrtová, Jana; Jakl, M.; Mareček, Vladimír

    2010-01-01

    Roč. 6, č. 3 (2010), s. 208-219 ISSN 1790-5079 R&D Projects: GA AV ČR IAA400400806 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40550506 Keywords : phospholipid bilayers * voltammetry * environment Subject RIV: CF - Physical ; Theoretical Chemistry http://www.worldses.org/journals/environment/index.html

  3. Electric field-induced reorganization of two-component supported bilayer membranes.

    Science.gov (United States)

    Groves, J T; Boxer, S G; McConnell, H M

    1997-12-09

    Application of electric fields tangent to the plane of a confined patch of fluid bilayer membrane can create lateral concentration gradients of the lipids. A thermodynamic model of this steady-state behavior is developed for binary systems and tested with experiments in supported lipid bilayers. The model uses Flory's approximation for the entropy of mixing and allows for effects arising when the components have different molecular areas. In the special case of equal area molecules the concentration gradient reduces to a Fermi-Dirac distribution. The theory is extended to include effects from charged molecules in the membrane. Calculations show that surface charge on the supporting substrate substantially screens electrostatic interactions within the membrane. It also is shown that concentration profiles can be affected by other intermolecular interactions such as clustering. Qualitative agreement with this prediction is provided by comparing phosphatidylserine- and cardiolipin-containing membranes.

  4. Influence of ester-modified lipids on bilayer structure.

    Science.gov (United States)

    Villanueva, Diana Y; Lim, Joseph B; Klauda, Jeffery B

    2013-11-19

    Lipid membranes function as barriers for cells to prevent unwanted chemicals from entering the cell and wanted chemicals from leaving. Because of their hydrophobic interior, membranes do not allow water to penetrate beyond the headgroup region. We performed molecular simulations to examine the effects of ester-modified lipids, which contain ester groups along their hydrocarbon chains, on bilayer structure. We chose two lipids from those presented in Menger et al. [J. Am. Chem. Soc. 2006, 128, 14034] with ester groups in (1) the upper half of the lipid chain (MEPC) and (2) the middle and end of the lipid chain (MGPC). MGPC (30%)/POPC bilayers formed stable water pores of diameter 5-7 Å, but MGPC (22%)/POPC and MEPC (30%)/POPC bilayers did not form these defects. These pores were similar to those formed during electroporation; i.e., the head groups lined the pore and allowed water and ions to transport across the bilayer. However, we found that lateral organization of the MGPC lipids into clusters, instead of an electric field or charge disparity as in electroporation, was essential for pore formation. On the basis of this, we propose an overall mechanism for pore formation. The similarities between the ester-modified lipids and byproducts of lipid peroxidation with multiple hydrophilic groups in the middle of the chain suggest that free radical reactions with unsaturated lipids and sterols result in fundamental changes that may be similar to what is seen in bilayers with ester-modified lipids.

  5. Bond index: relation to second-order density matrix and charge fluctuations

    International Nuclear Information System (INIS)

    Giambiagi, M.S. de; Giambiagi, M.; Jorge, F.E.

    1985-01-01

    It is shown that, in the same way as the atomic charge is an invariant built from the first-order density matrix, the closed-shell generalized bond index is an invariant associated with the second-order reduced density matrix. The active charge of an atom (sum of bond indices) is shown to be the sum of all density correlation functions between it and the other atoms in the molecule; similarly, the self-charge is the fluctuation of its total charge. (Author) [pt

  6. Cationic Dimyristoylphosphatidylcholine and Dioleoyloxytrimethylammonium Propane Lipid Bilayers: Atomistic Insight for Structure and Dynamics

    DEFF Research Database (Denmark)

    Zhao, W.; Gurtovenko, A. A.; Vattulainen, I.

    2012-01-01

    We performed atomistic molecular dynamics simulations of lipid bilayers consisting of a mixture of cationic dioleoyloxytrimethylammonium propane (DOTAP) and zwitterionic dimyristoylphosphatidylcholine (DMPC) lipids at different DOTAP fractions. Our primary focus was the specific effects...... of unsaturated lipid chains on structural and dynamic properties of mixed cationic bilayers. The bilayer area, as well as the ordering of lipid tails, shows a pronounced nonmonotonic behavior when TAP lipid fraction increases. The minimum in area (maximum in ordering) was observed for a bilayer with TAP fraction...... lipids, which were found to form PC-PC and PC-TAP pairs, and the formation of lipid clusters....

  7. Boson-fermion mass splittings in four-dimensional heterotic string models with anomalous U(1) gauge groups

    International Nuclear Information System (INIS)

    Yamaguchi, Masahiro; Yamamoto, Hisashi; Onogi, Tetsuya

    1989-01-01

    In four-dimensional heterotic string models with anomalous U(1) gauge groups, space-time supersymmetry (SUSY) breaks down spontaneously at one loop. In this paper, the Ward-Takahashi identity of broken SUSY in one-loop two-point amplitudes is investigated in all generalities. The boson-fermion mass splitting of any supersymmetric pair in an arbitrary model is proportional to the product of the D-term expectation value (the sum of (chirality)x(U(1) charge) of massless fermions in the model) and the U(1) charge of the external particle. In order to give a better understanding of the results, we present some examples of the mass splittings in a simple Z 3 orbifold model. (orig.)

  8. Properties of POPC/POPE supported lipid bilayers modified with hydrophobic quantum dots on polyelectrolyte cushions.

    Science.gov (United States)

    Kolasinska-Sojka, Marta; Wlodek, Magdalena; Szuwarzynski, Michal; Kereiche, Sami; Kovacik, Lubomir; Warszynski, Piotr

    2017-10-01

    The formation and properties of supported lipid bilayers (SLB) containing hydrophobic nanoparticles (NP) was studied in relation to underlying cushion obtained from selected polyelectrolyte multilayers. Lipid vesicles were formed from zwitterionic 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) and negatively charged 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) in phosphate buffer (PBS). As hydrophobic nanoparticles - quantum dots (QD) with size of 3.8nm (emission wavelength of 420nm) were used. Polyelectrolyte multilayers (PEM) were constructed by the sequential, i.e., layer-by-layer (LbL) adsorption of alternately charged polyelectrolytes from their solutions. Liposomes and Liposome-QDs complexes were studied with Transmission Cryo-Electron Microscopy (Cryo-TEM) to verify the quality of vesicles and the position of QD within lipid bilayer. Deposition of liposomes and liposomes with quantum dots on polyelectrolyte films was studied in situ using quartz crystal microbalance with dissipation (QCM-D) technique. The fluorescence emission spectra were analyzed for both: suspension of liposomes with nanoparticles and for supported lipid bilayers containing QD on PEM. It was demonstrated that quantum dots are located in the hydrophobic part of lipid bilayer. Moreover, we proved that such QD-modified liposomes formed supported lipid bilayers and their final structure depended on the type of underlying cushion. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Influence of natural organic matter (NOM) coatings on nanoparticle adsorption onto supported lipid bilayers.

    Science.gov (United States)

    Bo, Zhang; Avsar, Saziye Yorulmaz; Corliss, Michael K; Chung, Minsub; Cho, Nam-Joon

    2017-10-05

    As the worldwide usage of nanoparticles in commercial products continues to increase, there is growing concern about the environmental risks that nanoparticles pose to biological systems, including potential damage to cellular membranes. A detailed understanding of how different types of nanoparticles behave in environmentally relevant conditions is imperative for predicting and mitigating potential membrane-associated toxicities. Herein, we investigated the adsorption of two popular nanoparticles (silver and buckminsterfullerene) onto biomimetic supported lipid bilayers of varying membrane charge (positive and negative). The quartz crystal microbalance-dissipation (QCM-D) measurement technique was employed to track the adsorption kinetics. Particular attention was focused on understanding how natural organic matter (NOM) coatings affect nanoparticle-bilayer interactions. Both types of nanoparticles preferentially adsorbed onto the positively charged bilayers, although NOM coatings on the nanoparticle and lipid bilayer surfaces could either inhibit or promote adsorption in certain electrolyte conditions. While past findings showed that NOM coatings inhibit membrane adhesion, our findings demonstrate that the effects of NOM coatings are more nuanced depending on the type of nanoparticle and electrolyte condition. Taken together, the results demonstrate that NOM coatings can modulate the lipid membrane interactions of various nanoparticles, suggesting a possible way to improve the environmental safety of nanoparticles. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Fabrication of Li-intercalated bilayer graphene

    Directory of Open Access Journals (Sweden)

    K. Sugawara

    2011-06-01

    Full Text Available We have succeeded in fabricating Li-intercalated bilayer graphene on silicon carbide. The low-energy electron diffraction from Li-deposited bilayer graphene shows a sharp 3×3R30° pattern in contrast to Li-deposited monolayer graphene. This indicates that Li atoms are intercalated between two adjacent graphene layers and take the same well-ordered superstructure as in bulk C6Li. The angle-resolved photoemission spectroscopy has revealed that Li atoms are fully ionized and the π bands of graphene are systematically folded by the superstructure of intercalated Li atoms, producing a snowflake-like Fermi surface centered at the Γ point. The present result suggests a high potential of Li-intercalated bilayer graphene for application to a nano-scale Li-ion battery.

  11. On higher-order flavour-singlet splitting and coefficient functions at large x

    International Nuclear Information System (INIS)

    Vogt, A.; Soar, G.; Vermaseren, J.A.M.

    2010-08-01

    We discuss the large-x behaviour of the splitting functions P qg and P gq and of flavour-singlet coefficient functions, such as the gluon contributions C 2,g and C L,g to the structure functions F 2,L , in massless perturbative QCD. These quantities are suppressed by one or two powers of (1-x) with respect to the (1-x) -1 terms which are the subject of the well-known threshold exponentiation. We show that the double-logarithmic contributions to P qg , P gq and C L at order α s 4 can be predicted from known third-order results and present, as a first step towards a full all-order generalization, the leading-logarithmic large-x behaviour of P qg , P gq and C 2,g at all orders in α s . (orig.)

  12. A Regional Time-of-Use Electricity Price Based Optimal Charging Strategy for Electrical Vehicles

    Directory of Open Access Journals (Sweden)

    Jun Yang

    2016-08-01

    Full Text Available With the popularization of electric vehicles (EVs, the out-of-order charging behaviors of large numbers of EVs will bring new challenges to the safe and economic operation of power systems. This paper studies an optimal charging strategy for EVs. For that a typical urban zone is divided into four regions, a regional time-of-use (RTOU electricity price model is proposed to guide EVs when and where to charge considering spatial and temporal characteristics. In light of the elastic coefficient, the user response to the RTOU electricity price is analyzed, and also a bilayer optimization charging strategy including regional-layer and node-layer models is suggested to schedule the EVs. On the one hand, the regional layer model is designed to coordinate the EVs located in different time and space. On the other hand, the node layer model is built to schedule the EVs to charge in certain nodes. According to the simulations of an IEEE 33-bus distribution network, the performance of the proposed optimal charging strategy is verified. The results demonstrate that the proposed bilayer optimization strategy can effectively decrease the charging cost of users, mitigate the peak-valley load difference and the network loss. Besides, the RTOU electricity price shows better performance than the time-of-use (TOU electricity price.

  13. Interaction of PLGA and trimethyl chitosan modified PLGA nanoparticles with mixed anionic/zwitterionic phospholipid bilayers studied using molecular dynamics simulations

    Science.gov (United States)

    Novak, Brian; Astete, Carlos; Sabliov, Cristina; Moldovan, Dorel

    2012-02-01

    Poly(lactic-co-glycolic acid) (PLGA) is a biodegradable polymer. Nanoparticles of PLGA are commonly used for drug delivery applications. The interaction of the nanoparticles with the cell membrane may influence the rate of their uptake by cells. Both PLGA and cell membranes are negatively charged, so adding positively charged polymers such as trimethyl chitosan (TMC) which adheres to the PLGA particles improves their cellular uptake. The interaction of 3 nm PLGA and TMC-modified-PLGA nanoparticles with lipid bilayers composed of mixtures of phosphatidylcholine and phosphatidylserine lipids was studied using molecular dynamics simulations. The free energy profiles as function of nanoparticles position along the normal direction to the bilayers were calculated, the distribution of phosphatidylserine lipids as a function of distance of the particle from the bilayer was calculated, and the time scale for particle motion in the directions parallel to the bilayer surface was estimated.

  14. Revival of cloaking effect in a driven bilayer graphene vector barrier

    Science.gov (United States)

    Maiti, S.; Panigrahi, A.; Biswas, R.; Sinha, C.

    2018-05-01

    Transmission profiles in bilayer graphene are studied theoretically through a rectangular vector potential (magnetic) barrier with and without the presence of an oscillatory potential. Unlike the electrostatic barrier, the Fano resonances (FR) are noted in the transmission spectra both for normal and glancing incidences due to non-conservation of chirality for a static vector barrier. The results for normal incidence indicate that the cloaking effect is a manifestation of the chirality conservation in charge transport through bilayer graphene scalar barriers. It is also noted that the aforesaid FR for a static vector barrier might disappear (photon induced electronic cloaking effect) due to the predominant photon exchange processes in presence of an external oscillating potential. The study of Fano resonances in transmission spectrum is in high demand in respect of localization of charge carriers in graphene nano structures for its potential applications in digital device fabrications.

  15. Self-folding graphene-polymer bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Tao [Institute of Microelectronics, Tsinghua University, Beijing 100084 (China); Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Yoon, ChangKyu [Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Jin, Qianru [Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Li, Mingen [Department of Physics, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Liu, Zewen [Institute of Microelectronics, Tsinghua University, Beijing 100084 (China); Gracias, David H., E-mail: dgracias@jhu.edu [Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States)

    2015-05-18

    In order to incorporate the extraordinary intrinsic thermal, electrical, mechanical, and optical properties of graphene with three dimensional (3D) flexible substrates, we introduce a solvent-driven self-folding approach using graphene-polymer bilayers. A polymer (SU-8) film was spin coated atop chemically vapor deposited graphene films on wafer substrates and graphene-polymer bilayers were patterned with or without metal electrodes using photolithography, thin film deposition, and etching. After patterning, the bilayers were released from the substrates and they self-folded to form fully integrated, curved, and folded structures. In contrast to planar graphene sensors on rigid substrates, we assembled curved and folded sensors that are flexible and they feature smaller form factors due to their 3D geometry and large surface areas due to their multiple rolled architectures. We believe that this approach could be used to assemble a range of high performance 3D electronic and optical devices of relevance to sensing, diagnostics, wearables, and energy harvesting.

  16. Strongly Enhanced Tunneling at Total Charge Neutrality in Double-Bilayer Graphene-WSe_{2} Heterostructures.

    Science.gov (United States)

    Burg, G William; Prasad, Nitin; Kim, Kyounghwan; Taniguchi, Takashi; Watanabe, Kenji; MacDonald, Allan H; Register, Leonard F; Tutuc, Emanuel

    2018-04-27

    We report the experimental observation of strongly enhanced tunneling between graphene bilayers through a WSe_{2} barrier when the graphene bilayers are populated with carriers of opposite polarity and equal density. The enhanced tunneling increases sharply in strength with decreasing temperature, and the tunneling current exhibits a vertical onset as a function of interlayer voltage at a temperature of 1.5 K. The strongly enhanced tunneling at overall neutrality departs markedly from single-particle model calculations that otherwise match the measured tunneling current-voltage characteristics well, and suggests the emergence of a many-body state with condensed interbilayer excitons when electrons and holes of equal densities populate the two layers.

  17. Strongly Enhanced Tunneling at Total Charge Neutrality in Double-Bilayer Graphene-WSe2 Heterostructures

    Science.gov (United States)

    Burg, G. William; Prasad, Nitin; Kim, Kyounghwan; Taniguchi, Takashi; Watanabe, Kenji; MacDonald, Allan H.; Register, Leonard F.; Tutuc, Emanuel

    2018-04-01

    We report the experimental observation of strongly enhanced tunneling between graphene bilayers through a WSe2 barrier when the graphene bilayers are populated with carriers of opposite polarity and equal density. The enhanced tunneling increases sharply in strength with decreasing temperature, and the tunneling current exhibits a vertical onset as a function of interlayer voltage at a temperature of 1.5 K. The strongly enhanced tunneling at overall neutrality departs markedly from single-particle model calculations that otherwise match the measured tunneling current-voltage characteristics well, and suggests the emergence of a many-body state with condensed interbilayer excitons when electrons and holes of equal densities populate the two layers.

  18. Percolative transport in the vicinity of charge-order ferromagnetic ...

    Indian Academy of Sciences (India)

    field driven charge transport in the system is modelled on the basis of an inhomogeneous medium consisting of ... The charge-ordered phase for incommensurate distribution of man- ganese ions (i.e. ... position x = 0.35 measured in a constant voltage mode. The electric ... a drop in resistance on decreasing the temperature.

  19. Quantitative analysis on electric dipole energy in Rashba band splitting.

    Science.gov (United States)

    Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji

    2015-09-01

    We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime.

  20. Photoelectrochemical solar water splitting: From basic principles to advanced devices

    Directory of Open Access Journals (Sweden)

    Bandar Y.Alfaifi

    2018-02-01

    Full Text Available Photoelectrochemical water splitting (PEC offers a promising path for sustainable generation of hydrogen fuel. However, improving solar fuel water splitting efficiency facing tremendous challenges, due to the energy loss related to fast recombination of the photogenerated charge carriers, electrode degradation, as well as limited light harvesting. This review focuses on the brief introduction of basic fundamental of PEC water splitting and the concept of various types of water splitting approaches. Numerous engineering strategies for the investgating of the higher efficiency of the PEC, including charge separation, light harvesting, and co-catalysts doping, have been discussed. Moreover, recent remarkable progress and developments for PEC water splitting with some promising materials are discussed. Recent advanced applications of PEC are also reviewed. Finally, the review concludes with a summary and future outlook of this hot field.

  1. Phonon Dispersion and the Competition between Pairing and Charge Order

    Science.gov (United States)

    Costa, N. C.; Blommel, T.; Chiu, W.-T.; Batrouni, G.; Scalettar, R. T.

    2018-05-01

    The Holstein model describes the interaction between fermions and a collection of local (dispersionless) phonon modes. In the dilute limit, the phonon degrees of freedom dress the fermions, giving rise to polaron and bipolaron formation. At higher densities, the phonons mediate collective superconducting (SC) and charge-density wave (CDW) phases. Quantum Monte Carlo (QMC) simulations have considered both these limits but have not yet focused on the physics of more general phonon spectra. Here we report QMC studies of the role of phonon dispersion on SC and CDW order in such models. We quantify the effect of finite phonon bandwidth and curvature on the critical temperature Tcdw for CDW order and also uncover several novel features of diagonal long-range order in the phase diagram, including a competition between charge patterns at momenta q =(π ,π ) and q =(0 ,π ) which lends insight into the relationship between Fermi surface nesting and the wave vector at which charge order occurs. We also demonstrate SC order at half filling in situations where a nonzero bandwidth sufficiently suppresses Tcdw.

  2. Modeling of transient electroluminescence overshoot in bilayer organic light-emitting diodes using rate equations

    International Nuclear Information System (INIS)

    Chandra, V.K.; Chandra, B.P.; Tiwari, M.; Baghel, R.N.; Ramrakhiani, M.

    2012-01-01

    When a voltage pulse is applied under forward biased condition to a spin-coated bilayer organic light-emitting diode (OLED), then initially the electroluminescence (EL) intensity appearing after a delay time, increases with time and later on it attains a saturation value. At the end of the voltage pulse, the EL intensity decreases with time, attains a minimum intensity and then it again increases with time, attains a peak value and later on it decreases with time. For the OLEDs, in which the lifetime of trapped carriers is less than the decay time of the EL occurring prior to the onset of overshoot, the EL overshoot begins just after the end of voltage pulse. The overshoot in spin-coated bilayer OLEDs is caused by the presence of an interfacial layer of finite thickness between hole and electron transporting layers in which both transport molecules coexist, whereby the interfacial energy barrier impedes both hole and electron passage. When a voltage pulse is applied to a bilayer OLED, positive and negative space charges are established at the opposite faces of the interfacial layer. Subsequently, the charge recombination occurs with the incoming flux of injected carriers of opposite polarity. When the voltage is turned off, the interfacial charges recombine under the action of their mutual electric field. Thus, after switching off the external voltage the electrons stored in the interface next to the anode cell compartment experience an electric field directed from cathode to anode, and therefore, the electrons move towards the cathode, that is, towards the positive space charge, whereby electron–hole recombination gives rise to luminescence. The EL prior to onset of overshoot is caused by the movement of electrons in the electron transporting states, however, the EL in the overshoot region is caused by the movement of detrapped electrons. On the basis of the rate equations for the detrapping and recombination of charge carriers accumulated at the interface

  3. Modeling of transient electroluminescence overshoot in bilayer organic light-emitting diodes using rate equations

    Energy Technology Data Exchange (ETDEWEB)

    Chandra, V.K. [Department of Electrical and Electronics Engineering, Chhatrapati Shivaji Institute of Technology, Shivaji Nagar, Kolihapuri, Durg 491001 (C.G.) (India); Chandra, B.P., E-mail: bpchandra4@yahoo.co.in [Department of Applied Physics, Ashoka Institute of Technology and Management, Rajnandgaon 491441 (C.G.) (India); Tiwari, M. [Department of Postgraduate Studies and Research in Physics and Electronics, Rani Durgavati University, Jabalpur 482001 (M.P.) (India); Baghel, R.N. [School of Studies in Physics and Astrophysics, Pt. Ravishankar Shukla University, Raipur 492010 (C.G.) (India); Ramrakhiani, M. [Department of Postgraduate Studies and Research in Physics and Electronics, Rani Durgavati University, Jabalpur 482001 (M.P.) (India)

    2012-06-15

    When a voltage pulse is applied under forward biased condition to a spin-coated bilayer organic light-emitting diode (OLED), then initially the electroluminescence (EL) intensity appearing after a delay time, increases with time and later on it attains a saturation value. At the end of the voltage pulse, the EL intensity decreases with time, attains a minimum intensity and then it again increases with time, attains a peak value and later on it decreases with time. For the OLEDs, in which the lifetime of trapped carriers is less than the decay time of the EL occurring prior to the onset of overshoot, the EL overshoot begins just after the end of voltage pulse. The overshoot in spin-coated bilayer OLEDs is caused by the presence of an interfacial layer of finite thickness between hole and electron transporting layers in which both transport molecules coexist, whereby the interfacial energy barrier impedes both hole and electron passage. When a voltage pulse is applied to a bilayer OLED, positive and negative space charges are established at the opposite faces of the interfacial layer. Subsequently, the charge recombination occurs with the incoming flux of injected carriers of opposite polarity. When the voltage is turned off, the interfacial charges recombine under the action of their mutual electric field. Thus, after switching off the external voltage the electrons stored in the interface next to the anode cell compartment experience an electric field directed from cathode to anode, and therefore, the electrons move towards the cathode, that is, towards the positive space charge, whereby electron-hole recombination gives rise to luminescence. The EL prior to onset of overshoot is caused by the movement of electrons in the electron transporting states, however, the EL in the overshoot region is caused by the movement of detrapped electrons. On the basis of the rate equations for the detrapping and recombination of charge carriers accumulated at the interface

  4. Adsorption of beryllium atoms and clusters both on graphene and in a bilayer of graphite investigated by DFT.

    Science.gov (United States)

    Ferro, Yves; Fernandez, Nicolas; Allouche, Alain; Linsmeier, Christian

    2013-01-09

    We herein investigate the interaction of beryllium with a graphene sheet and in a bilayer of graphite by means of periodic DFT calculations. In all cases, we find the beryllium atoms to be more weakly bonded on graphene than in the bilayer. Be(2) forms both magnetic and non-magnetic structures on graphene depending on the geometrical configuration of adsorption. We find that the stability of the Be/bilayer system increases with the size of the beryllium clusters inserted into the bilayer of graphite. We also find a charge transfer from beryllium to the graphite layers. All these results are analysed in terms of electronic structure.

  5. High order three part split symplectic integrators: Efficient techniques for the long time simulation of the disordered discrete nonlinear Schrödinger equation

    Energy Technology Data Exchange (ETDEWEB)

    Skokos, Ch., E-mail: haris.skokos@uct.ac.za [Physics Department, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Department of Mathematics and Applied Mathematics, University of Cape Town, Rondebosch 7701 (South Africa); Gerlach, E. [Lohrmann Observatory, Technical University Dresden, D-01062 Dresden (Germany); Bodyfelt, J.D., E-mail: J.Bodyfelt@massey.ac.nz [Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University, Albany, Private Bag 102904, North Shore City, Auckland 0745 (New Zealand); Papamikos, G. [School of Mathematics, Statistics and Actuarial Science, University of Kent, Canterbury, CT2 7NF (United Kingdom); Eggl, S. [IMCCE, Observatoire de Paris, 77 Avenue Denfert-Rochereau, F-75014 Paris (France)

    2014-05-01

    While symplectic integration methods based on operator splitting are well established in many branches of science, high order methods for Hamiltonian systems that split in more than two parts have not been studied in great detail. Here, we present several high order symplectic integrators for Hamiltonian systems that can be split in exactly three integrable parts. We apply these techniques, as a practical case, for the integration of the disordered, discrete nonlinear Schrödinger equation (DDNLS) and compare their efficiencies. Three part split algorithms provide effective means to numerically study the asymptotic behavior of wave packet spreading in the DDNLS – a hotly debated subject in current scientific literature.

  6. High order three part split symplectic integrators: Efficient techniques for the long time simulation of the disordered discrete nonlinear Schrödinger equation

    International Nuclear Information System (INIS)

    Skokos, Ch.; Gerlach, E.; Bodyfelt, J.D.; Papamikos, G.; Eggl, S.

    2014-01-01

    While symplectic integration methods based on operator splitting are well established in many branches of science, high order methods for Hamiltonian systems that split in more than two parts have not been studied in great detail. Here, we present several high order symplectic integrators for Hamiltonian systems that can be split in exactly three integrable parts. We apply these techniques, as a practical case, for the integration of the disordered, discrete nonlinear Schrödinger equation (DDNLS) and compare their efficiencies. Three part split algorithms provide effective means to numerically study the asymptotic behavior of wave packet spreading in the DDNLS – a hotly debated subject in current scientific literature.

  7. Examining the origins of the hydration force between lipid bilayers using all-atom simulations.

    Science.gov (United States)

    Gentilcore, Anastasia N; Michaud-Agrawal, Naveen; Crozier, Paul S; Stevens, Mark J; Woolf, Thomas B

    2010-05-01

    Using 237 all-atom double bilayer simulations, we examined the thermodynamic and structural changes that occur as a phosphatidylcholine lipid bilayer stack is dehydrated. The simulated system represents a micropatch of lipid multilayer systems that are studied experimentally using surface force apparatus, atomic force microscopy and osmotic pressure studies. In these experiments, the hydration level of the system is varied, changing the separation between the bilayers, in order to understand the forces that the bilayers feel as they are brought together. These studies have found a curious, strongly repulsive force when the bilayers are very close to each other, which has been termed the "hydration force," though the origins of this force are not clearly understood. We computationally reproduce this repulsive, relatively free energy change as bilayers come together and make qualitative conclusions as to the enthalpic and entropic origins of the free energy change. This analysis is supported by data showing structural changes in the waters, lipids and salts that have also been seen in experimental work. Increases in solvent ordering as the bilayers are dehydrated are found to be essential in causing the repulsion as the bilayers come together.

  8. Charge-order driven multiferroic and magneto-dielectric properties of rare earth manganates

    International Nuclear Information System (INIS)

    Serrao, Claudy Rayan; Sahu, Jyoti Ranjan; Ghosh, Anirban

    2010-01-01

    Charge-order driven magnetic ferroelectricity is shown to occur in several rare earth manganates of the general formula, Ln 1-x A x MnO 3 (Ln rare earth, A = alkaline earth). Charge-ordered manganates exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperature. Magnetic fields have a marked effect on the dielectric properties of these compounds, indicating the presence of coupling between the magnetic and electrical order parameters. Magneto-dielectric properties are retained in small particles of the manganates. The observation of magneto-ferroelectricity in these manganates is in accordance with theoretical predictions. (author)

  9. Band gap opening of bilayer graphene by F4-TCNQ molecular doping and externally applied electric field.

    Science.gov (United States)

    Tian, Xiaoqing; Xu, Jianbin; Wang, Xiaomu

    2010-09-09

    The band gap opening of bilayer graphene with one side surface adsorption of F4-TCNQ is reported. F4-TCNQ doped bilayer graphene shows p-type semiconductor characteristics. With a F4-TCNQ concentration of 1.3 x 10(-10) mol/cm(2), the charge transfer between each F4-TCNQ molecule and graphene is 0.45e, and the built-in electric field, E(bi), between the graphene layers could reach 0.070 V/A. The charge transfer and band gap opening of the F4-TCNQ-doped graphene can be further modulated by an externally applied electric field (E(ext)). At 0.077 V/A, the gap opening at the Dirac point (K), DeltaE(K) = 306 meV, and the band gap, E(g) = 253 meV, are around 71% and 49% larger than those of the pristine bilayer under the same E(ext).

  10. Competition of Dzyaloshinskii-Moriya and Higher-Order Exchange Interactions in Rh /Fe Atomic Bilayers on Ir(111)

    Science.gov (United States)

    Romming, Niklas; Pralow, Henning; Kubetzka, André; Hoffmann, Markus; von Malottki, Stephan; Meyer, Sebastian; Dupé, Bertrand; Wiesendanger, Roland; von Bergmann, Kirsten; Heinze, Stefan

    2018-05-01

    Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh /Fe atomic bilayers on Ir(111). We find that higher-order exchange interactions depend sensitively on the stacking sequence. For fcc-Rh /Fe /Ir (111 ) , frustrated exchange interactions are dominant and lead to the formation of a spin spiral ground state with a period of about 1.5 nm. For hcp-Rh /Fe /Ir (111 ) , higher-order exchange interactions favor an up-up-down-down (↑↑↓↓) state. However, the Dzyaloshinskii-Moriya interaction at the Fe /Ir interface leads to a small angle of about 4° between adjacent magnetic moments resulting in a canted ↑↑↓↓ ground state.

  11. Charged particle layers in the Debye limit.

    Science.gov (United States)

    Golden, Kenneth I; Kalman, Gabor J; Kyrkos, Stamatios

    2002-09-01

    We develop an equivalent of the Debye-Hückel weakly coupled equilibrium theory for layered classical charged particle systems composed of one single charged species. We consider the two most important configurations, the charged particle bilayer and the infinite superlattice. The approach is based on the link provided by the classical fluctuation-dissipation theorem between the random-phase approximation response functions and the Debye equilibrium pair correlation function. Layer-layer pair correlation functions, screened and polarization potentials, static structure functions, and static response functions are calculated. The importance of the perfect screening and compressibility sum rules in determining the overall behavior of the system, especially in the r--> infinity limit, is emphasized. The similarities and differences between the quasi-two-dimensional bilayer and the quasi-three-dimensional superlattice are highlighted. An unexpected behavior that emerges from the analysis is that the screened potential, the correlations, and the screening charges carried by the individual layers exhibit a marked nonmonotonic dependence on the layer separation.

  12. Charged particle layers in the Debye limit

    International Nuclear Information System (INIS)

    Golden, Kenneth I.; Kalman, Gabor J.; Kyrkos, Stamatios

    2002-01-01

    We develop an equivalent of the Debye-Hueckel weakly coupled equilibrium theory for layered classical charged particle systems composed of one single charged species. We consider the two most important configurations, the charged particle bilayer and the infinite superlattice. The approach is based on the link provided by the classical fluctuation-dissipation theorem between the random-phase approximation response functions and the Debye equilibrium pair correlation function. Layer-layer pair correlation functions, screened and polarization potentials, static structure functions, and static response functions are calculated. The importance of the perfect screening and compressibility sum rules in determining the overall behavior of the system, especially in the r→∞ limit, is emphasized. The similarities and differences between the quasi-two-dimensional bilayer and the quasi-three-dimensional superlattice are highlighted. An unexpected behavior that emerges from the analysis is that the screened potential, the correlations, and the screening charges carried by the individual layers exhibit a marked nonmonotonic dependence on the layer separation

  13. Proton permeation of lipid bilayers.

    Science.gov (United States)

    Deamer, D W

    1987-10-01

    Proton permeation of the lipid bilayer barrier has two unique features. First, permeability coefficients measured at neutral pH ranges are six to seven orders of magnitude greater than expected from knowledge of other monovalent cations. Second, proton conductance across planar lipid bilayers varies at most by a factor of 10 when pH is varied from near 1 to near 11. Two mechanisms have been proposed to account for this anomalous behavior: proton conductance related to contaminants of lipid bilayers, and proton translocation along transient hydrogen-bonded chains (tHBC) of associated water molecules in the membrane. The weight of evidence suggests that trace contaminants may contribute to proton conductance across planar lipid membranes at certain pH ranges, but cannot account for the anomalous proton flux in liposome systems. Two new results will be reported here which were designed to test the tHBC model. These include measurements of relative proton/potassium permeability in the gramicidin channel, and plots of proton flux against the magnitude of pH gradients. (1) The relative permeabilities of protons and potassium through the gramicidin channel, which contains a single strand of hydrogen-bonded water molecules, were found to differ by at least four orders of magnitude when measured at neutral pH ranges. This result demonstrates that a hydrogen-bonded chain of water molecules can provide substantial discrimination between protons and other cations. It was also possible to calculate that if approximately 7% of bilayer water was present in a transient configuration similar to that of the gramicidin channel, it could account for the measured proton flux. (2) The plot of proton conductance against pH gradient across liposome membranes was superlinear, a result that is consistent with one of three alternative tHBC models for proton conductance described by Nagle elsewhere in this volume.

  14. Cyclotron resonance in bilayer graphene.

    Science.gov (United States)

    Henriksen, E A; Jiang, Z; Tung, L-C; Schwartz, M E; Takita, M; Wang, Y-J; Kim, P; Stormer, H L

    2008-02-29

    We present the first measurements of cyclotron resonance of electrons and holes in bilayer graphene. In magnetic fields up to B=18 T, we observe four distinct intraband transitions in both the conduction and valence bands. The transition energies are roughly linear in B between the lowest Landau levels, whereas they follow square root[B] for the higher transitions. This highly unusual behavior represents a change from a parabolic to a linear energy dispersion. The density of states derived from our data generally agrees with the existing lowest order tight binding calculation for bilayer graphene. However, in comparing data to theory, a single set of fitting parameters fails to describe the experimental results.

  15. The electronic transport properties of defected bilayer sliding armchair graphene nanoribbons

    Science.gov (United States)

    Mohammadi, Amin; Haji-Nasiri, Saeed

    2018-04-01

    By applying non-equilibrium Green's functions (NEGF) in combination with tight-binding (TB) model, we investigate and compare the electronic transport properties of perfect and defected bilayer armchair graphene nanoribbons (BAGNRs) under finite bias. Two typical defects which are placed in the middle of top layer (i.e. single vacancy (SV) and stone wale (SW) defects) are examined. The results reveal that in both perfect and defected bilayers, the maximum current refers to β-AB, AA and α-AB stacking orders, respectively, since the intermolecular interactions are stronger in them. Moreover it is observed that a SV decreases the current in all stacking orders, but the effects of a SW defect is nearly unpredictable. Besides, we introduced a sequential switching behavior and the effects of defects on the switching performance is studied as well. We found that a SW defect can significantly improve the switching behavior of a bilayer system. Transmission spectrum, band structure, molecular energy spectrum and molecular projected self-consistent Hamiltonian (MPSH) are analyzed subsequently to understand the electronic transport properties of these bilayer devices which can be used in developing nano-scale bilayer systems.

  16. Magnetic properties of epitaxial bismuth ferrite-garnet mono- and bilayers

    International Nuclear Information System (INIS)

    Semuk, E.Yu.; Berzhansky, V.N.; Prokopov, A.R.; Shaposhnikov, A.N.; Karavainikov, A.V.; Salyuk, O.Yu.; Golub, V.O.

    2015-01-01

    Magnetic properties of Bi 1.5 Gd 1.5 Fe 4.5 Al 0.5 O 12 (84 nm) and Bi 2.8 Y 0.2 Fe 5 O 12 (180 nm) films epitaxially grown on gallium-gadolinium garnet (GGG) single crystal (111) substrate as well as Bi 1.5 Gd 1.5 Fe 4.5 Al 0.5 O 12 /Bi 2.8 Y 0.2 Fe 5 O 12 bilayer were investigated using ferromagnetic resonance technique. The mismatch of the lattice parameters of substrate and magnetic layers leads to formation of adaptive layers which affect on the high order anisotropy constant of the films but practically do not affect on uniaxial perpendicular magnetic anisotropy The magnetic properties of the bilayer film were explained in supposition of strong exchange coupling between magnetic layers taking into account film-film and film-substrate elastic interaction. - Highlights: • Magnetic parameters of epitaxial Bi-YIG films and bilayers on GGG substrate. • Adaptive layers affect on high order magnetic anisotropy. • Magnetic properties of bilayers are result of strong exchange interaction

  17. Effect of Membrane Tension on the Electric Field and Dipole Potential of Lipid Bilayer Membrane

    Science.gov (United States)

    Warshaviak, Dora Toledo; Muellner, Michael J.; Chachisvilis, Mirianas

    2011-01-01

    The dipole potential of lipid bilayer membrane controls the difference in permeability of the membrane to oppositely charged ions. We have combined molecular dynamics (MD) simulations and experimental studies to determine changes in electric field and electrostatic potential of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) lipid bilayer in response to applied membrane tension. MD simulations based on CHARMM36 force field showed that electrostatic potential of DOPC bilayer decreases by ~45 mV in the physiologically relevant range of membrane tension values (0 to 15 dyn/cm). The electrostatic field exhibits a peak (~0.8×109 V/m) near the water/lipid interface which shifts by 0.9 Å towards the bilayer center at 15 dyn/cm. Maximum membrane tension of 15 dyn/cm caused 6.4% increase in area per lipid, 4.7% decrease in bilayer thickness and 1.4% increase in the volume of the bilayer. Dipole-potential sensitive fluorescent probes were used to detect membrane tension induced changes in DOPC vesicles exposed to osmotic stress. Experiments confirmed that dipole potential of DOPC bilayer decreases at higher membrane tensions. These results are suggestive of a potentially new mechanosensing mechanism by which mechanically induced structural changes in the lipid bilayer membrane could modulate the function of membrane proteins by altering electrostatic interactions and energetics of protein conformational states. PMID:21722624

  18. Plasmon enhanced water splitting mediated by hybrid bimetallic Au-Ag core-shell nanostructures.

    Science.gov (United States)

    Erwin, William R; Coppola, Andrew; Zarick, Holly F; Arora, Poorva; Miller, Kevin J; Bardhan, Rizia

    2014-11-07

    In this work, we employed wet chemically synthesized bimetallic Au-Ag core-shell nanostructures (Au-AgNSs) to enhance the photocurrent density of mesoporous TiO2 for water splitting and we compared the results with monometallic Au nanoparticles (AuNPs). While Au-AgNSs incorporated photoanodes give rise to 14× enhancement in incident photon to charge carrier efficiency, AuNPs embedded photoanodes result in 6× enhancement. By varying nanoparticle concentration in the photoanodes, we observed ∼245× less Au-AgNSs are required relative to AuNPs to generate similar photocurrent enhancement for solar fuel conversion. Power-dependent measurements of Au-AgNSs and AuNPs showed a first order dependence to incident light intensity, relative to half-order dependence for TiO2 only photoanodes. This indicated that plasmonic nanostructures enhance charge carriers formed on the surface of the TiO2 which effectively participate in photochemical reactions. Our experiments and simulations suggest the enhanced near-field, far-field, and multipolar resonances of Au-AgNSs facilitating broadband absorption of solar radiation collectively gives rise to their superior performance in water splitting.

  19. Modeling vehicle operating speed on urban roads in Montreal: a panel mixed ordered probit fractional split model.

    Science.gov (United States)

    Eluru, Naveen; Chakour, Vincent; Chamberlain, Morgan; Miranda-Moreno, Luis F

    2013-10-01

    Vehicle operating speed measured on roadways is a critical component for a host of analysis in the transportation field including transportation safety, traffic flow modeling, roadway geometric design, vehicle emissions modeling, and road user route decisions. The current research effort contributes to the literature on examining vehicle speed on urban roads methodologically and substantively. In terms of methodology, we formulate a new econometric model framework for examining speed profiles. The proposed model is an ordered response formulation of a fractional split model. The ordered nature of the speed variable allows us to propose an ordered variant of the fractional split model in the literature. The proposed formulation allows us to model the proportion of vehicles traveling in each speed interval for the entire segment of roadway. We extend the model to allow the influence of exogenous variables to vary across the population. Further, we develop a panel mixed version of the fractional split model to account for the influence of site-specific unobserved effects. The paper contributes substantively by estimating the proposed model using a unique dataset from Montreal consisting of weekly speed data (collected in hourly intervals) for about 50 local roads and 70 arterial roads. We estimate separate models for local roads and arterial roads. The model estimation exercise considers a whole host of variables including geometric design attributes, roadway attributes, traffic characteristics and environmental factors. The model results highlight the role of various street characteristics including number of lanes, presence of parking, presence of sidewalks, vertical grade, and bicycle route on vehicle speed proportions. The results also highlight the presence of site-specific unobserved effects influencing the speed distribution. The parameters from the modeling exercise are validated using a hold-out sample not considered for model estimation. The results indicate

  20. Charge-Transfer States in Organic Solar Cells: Understanding the Impact of Polarization, Delocalization, and Disorder

    KAUST Repository

    Zheng, Zilong

    2017-05-08

    We investigate the impact of electronic polarization, charge delocalization, and energetic disorder on the charge-transfer (CT) states formed at a planar C60/pentacene interface. The ability to examine large complexes containing up to seven pentacene molecules and three C60 molecules allows us to take explicitly into account the electronic polarization effects. These complexes are extracted from a bilayer architecture modeled by molecular dynamics simulations and evaluated by means of electronic-structure calculations based on long-range-separated functionals (ωB97XD and BNL) with optimized range-separation parameters. The energies of the lowest charge-transfer states derived for the large complexes are in very good agreement with the experimentally reported values. The average singlet-triplet energy splittings of the lowest CT states are calculated not to exceed 10 meV. The rates of geminate recombination as well as of dissociation of the triplet excitons are also evaluated. In line with experiment, our results indicate that the pentacene triplet excitons generated through singlet fission can dissociate into separated charges on a picosecond time scale, despite the fact that their energy in C60/pentacene heterojunctions is slightly lower than the energies of the lowest CT triplet states.

  1. Electronic and Optical Properties of Twisted Bilayer Graphene

    Science.gov (United States)

    Huang, Shengqiang

    symmetry is broken with an external electric field. We observe a double-line profile of these states on the domain walls, only occurring when the AB and BA regions are gaped. These states give rise to channels that could transport charge in a dissipationless manner making twisted bilayer graphene a promising platform to realize controllable topological networks for future applications.

  2. A criterion to identify the equilibration time in lipid bilayer simulations

    Directory of Open Access Journals (Sweden)

    Rodolfo D. Porasso

    2012-11-01

    Full Text Available With the aim of establishing a criterion for identifying when a lipid bilayer has reached steady state using the molecular dynamics simulation technique, lipid bilayers of different composition in their liquid crystalline phase were simulated in aqueous solution in presence of CaCl_2 as electrolyte, at different concentration levels. In this regard, we used two different lipid bilayer systems: one composed by 288 DPPC (DiPalmitoylPhosphatidylCholine and another constituted by 288 DPPS (DiPalmitoylPhosphatidylSerine. In this sense, for both type of lipid bilayers, we have studied the temporal evolution of some lipids properties, such as the surface area per lipid, the deuterium order parameter, the lipid hydration and the lipid-calcium coordination. From their analysis, it became evident how each property has a different time to achieve equilibrium. The following order was found, from faster property to slower property: coordination of ions $approx$ deuterium order parameter > area per lipid $approx$ hydration. Consequently, when the hydration of lipids or the mean area per lipid are stable, we can ensure that the lipid membrane has reached the steady state.

  3. Tethered and Polymer Supported Bilayer Lipid Membranes: Structure and Function

    Directory of Open Access Journals (Sweden)

    Jakob Andersson

    2016-05-01

    Full Text Available Solid supported bilayer lipid membranes are model systems to mimic natural cell membranes in order to understand structural and functional properties of such systems. The use of a model system allows for the use of a wide variety of analytical tools including atomic force microscopy, impedance spectroscopy, neutron reflectometry, and surface plasmon resonance spectroscopy. Among the large number of different types of model membranes polymer-supported and tethered lipid bilayers have been shown to be versatile and useful systems. Both systems consist of a lipid bilayer, which is de-coupled from an underlying support by a spacer cushion. Both systems will be reviewed, with an emphasis on the effect that the spacer moiety has on the bilayer properties.

  4. On the Origin of Charge Order in RuCl3

    Science.gov (United States)

    Berlijn, Tom

    RuCl3 has been proposed to be a spin-orbit assisted Mott insulator close to the Kitaev-spin-liquid ground state, an exotic state of matter that could protect information in quantum computers. Recent STM experiments [M. Ziatdinov et al, Nature Communications (in press)] however, show the presence of a puzzling short-range charge order in this quasi two dimensional material. Understanding the nature of this charge order may provide a pathway towards tuning RuCl3 into the Kitaev-spin-liquid ground state. Based on first principles calculations I investigate the possibility that the observed charge order is caused by a combination of short-range magnetic correlations and strong spin-orbit coupling. From a general perspective such a mechanism could offer the exciting possibility of probing local magnetic correlations with standard STM. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

  5. Ion beam mixing isotopic metal bilayers

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-31

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

  6. Ion beam mixing isotopic metal bilayers

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-12-31

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

  7. Self-assembled PCBM bilayers on graphene and HOPG examined by AFM and STM

    Science.gov (United States)

    Li, Yanlong; Chen, Chuanhui; Burton, John; Park, Kyungwha; Heflin, James R.; Tao, Chenggang

    2018-05-01

    In this work we report fabrication and characterization of phenyl-C61-butyric acid methyl ester (PCBM) bilayer structures on graphene and highly oriented pyrolytic graphite (HOPG). Through careful control of the PCBM solution concentration (from 0.1 to 2 mg ml-1) and the deposition conditions, we demonstrate that PCBM molecules self-assemble into bilayer structures on graphene and HOPG substrates. Interestingly, the PCBM bilayers are formed with two distinct heights on HOPG, but only one unique representative height on graphene. At elevated annealing temperatures, edge diffusion allows neighboring vacancies to merge into a more ordered structure. This is, to the best of our knowledge, the first experimental realization of PCBM bilayer structures on graphene. This work could provide valuable insight into fabrication of new hybrid, ordered structures for applications to organic solar cells.

  8. Interaction of melittin with mixed phospholipid membranes composed of dimyristoylphosphatidylcholine and dimyristoylphosphatidylserine studied by deuterium NMR

    Energy Technology Data Exchange (ETDEWEB)

    Dempsey, C.; Bitbol, M.; Watts, A. (Oxford Univ. (England))

    1989-08-08

    The interaction of bee venom melittin with mixed phospholipid bilayers composed of dimyristoylphosphatidylcholine deuterated in the {alpha}- and {beta}-methylenes of the choline head group (DMPC-d{sub 4}) and dimyristoylphosphatidylserine deuterated in the {alpha}-methylene and {beta}-CH positions of the serine head group (DMPS-d{sub 3}) was studied in ternary mixtures by using deuterium NMR spectroscopy. The changes in the deuterium quadrupole splittings of the head-group deuteriomethylenes of DMPC-d{sub 4} induced by DMPS in binary mixtures were systematically reversed by increasing concentrations of melittin, so that at a melittin concentration of 4 mol % relative to total lipid the deuterium NMR spectrum from DMPC-d{sub 4} in the ternary mixture was similar to the spectrum from pure DMPC-d{sub 4} bilayers. The absence of deuterium NMR signals arising from melittin-bound DMPS in ternary mixtures containing DMPS-d{sub 3} indicates that the reversal by melittin of the effects of DMPS on the quadrupole splittings of DMPC-d{sub 4} results from the response of the choline head group to the net surface charge rather than from phase separation of melittin-DMPS complexes. The similarity in the effects of the two cationic but otherwise dissimilar peptides indicates that the DMPS head group responds to the surface charge resulting from the presence in the bilayer of charged amphiphiles, in a manner analogous to the response of the choline head group of phosphatidylcholine to the bilayer surface charge. The presence of DMPS greatly stabilized DMPC bilayers with respect to melittin-induced micellization, indicating that the latter effect of melittin may not be important for the hemolytic activity of the peptide.

  9. Interaction of melittin with mixed phospholipid membranes composed of dimyristoylphosphatidylcholine and dimyristoylphosphatidylserine studied by deuterium NMR

    International Nuclear Information System (INIS)

    Dempsey, C.; Bitbol, M.; Watts, A.

    1989-01-01

    The interaction of bee venom melittin with mixed phospholipid bilayers composed of dimyristoylphosphatidylcholine deuterated in the α- and β-methylenes of the choline head group (DMPC-d 4 ) and dimyristoylphosphatidylserine deuterated in the α-methylene and β-CH positions of the serine head group (DMPS-d 3 ) was studied in ternary mixtures by using deuterium NMR spectroscopy. The changes in the deuterium quadrupole splittings of the head-group deuteriomethylenes of DMPC-d 4 induced by DMPS in binary mixtures were systematically reversed by increasing concentrations of melittin, so that at a melittin concentration of 4 mol % relative to total lipid the deuterium NMR spectrum from DMPC-d 4 in the ternary mixture was similar to the spectrum from pure DMPC-d 4 bilayers. The absence of deuterium NMR signals arising from melittin-bound DMPS in ternary mixtures containing DMPS-d 3 indicates that the reversal by melittin of the effects of DMPS on the quadrupole splittings of DMPC-d 4 results from the response of the choline head group to the net surface charge rather than from phase separation of melittin-DMPS complexes. The similarity in the effects of the two cationic but otherwise dissimilar peptides indicates that the DMPS head group responds to the surface charge resulting from the presence in the bilayer of charged amphiphiles, in a manner analogous to the response of the choline head group of phosphatidylcholine to the bilayer surface charge. The presence of DMPS greatly stabilized DMPC bilayers with respect to melittin-induced micellization, indicating that the latter effect of melittin may not be important for the hemolytic activity of the peptide

  10. Particulate photocatalysts for overall water splitting

    Science.gov (United States)

    Chen, Shanshan; Takata, Tsuyoshi; Domen, Kazunari

    2017-10-01

    The conversion of solar energy to chemical energy is a promising way of generating renewable energy. Hydrogen production by means of water splitting over semiconductor photocatalysts is a simple, cost-effective approach to large-scale solar hydrogen synthesis. Since the discovery of the Honda-Fujishima effect, considerable progress has been made in this field, and numerous photocatalytic materials and water-splitting systems have been developed. In this Review, we summarize existing water-splitting systems based on particulate photocatalysts, focusing on the main components: light-harvesting semiconductors and co-catalysts. The essential design principles of the materials employed for overall water-splitting systems based on one-step and two-step photoexcitation are also discussed, concentrating on three elementary processes: photoabsorption, charge transfer and surface catalytic reactions. Finally, we outline challenges and potential advances associated with solar water splitting by particulate photocatalysts for future commercial applications.

  11. Split supersymmetry in brane models

    Indian Academy of Sciences (India)

    Type-I string theory in the presence of internal magnetic fields provides a concrete realization of split ... quantum picture of the Universe. It was then ... where the integers m, n correspond to the respective magnetic and electric charges; m is the ...

  12. Simulated and experimental performance of split packaged air conditioner using refrigerant HC-290 as a substitute for HCFC-22

    International Nuclear Information System (INIS)

    Padalkar, Atul S.; Mali, Kundlik V.; Devotta, Sukumar

    2014-01-01

    This paper discusses the use of propane (HC-290) as a safe and energy efficient alternative to HCFC-22 in a typical split air conditioner with nominal cooling capacities up to 5.1 kW. Initially split air conditioner performance is simulated for cooling capacity, energy efficiency ratio (EER), and refrigerant charge. Tests were conducted for different test cases in a psychrometric test chamber with HCFC-22 and HC-290. The test conditions considered are as per Indian Standards, IS 1391 (1992) Part I. The various parameters considered were based on simulated performance with the objective to achieve maximum EER for the desired cooling capacity. As the flammability is an issue for HC-290, the reduction of HC-290 charge was another objective. Two different types of condensers, first with smaller size tubing and another parallel flow condenser (PFC) or minichannel condenser were used in order to reduce HC-290 charge. For HC-290, the highest EER achieved was 3.7 for cooling capacity 4.90 kW for a refrigerant charge of 360 g. The important safety aspects of using HC-290 in air conditioner are discussed. The refrigerant charge as per EN 378 for different cooling capacities and room sizes is also considered. -- Highlights: • Simulation for performance of split air conditioner has been done using HC-290 as a replacement to HCFC-22. • The safety aspects of HC-290 are discussed when used in split air conditioner. • HC-290 was tested in psychrometric test chamber as per IS 1391 part 1. • With PFC, HC-290 gave highest EER of 3.7 which was 37% higher than that of HCFC-22. • The lowest HC-290 charge used in test was 340 g which is well below LFL

  13. Gas adsorption, energetics and electronic properties of boron- and nitrogen-doped bilayer graphenes

    Energy Technology Data Exchange (ETDEWEB)

    Fujimoto, Yoshitaka, E-mail: fujimoto@stat.phys.titech.ac.jp [Department of Physics, Tokyo Institute of Technology, Oh-okayama, Meguro-ku, Tokyo 152-8551 (Japan); Saito, Susumu [Department of Physics, Tokyo Institute of Technology, Oh-okayama, Meguro-ku, Tokyo 152-8551 (Japan); International Research Center for Nanoscience and Quantum Physics, Tokyo Institute of Technology, 2-12-1 Oh-okayama, Meguro-ku, Tokyo 152-8551 (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan)

    2016-10-20

    We study stabilities and electronic properties of several environmental polluting or toxic gas molecules (CO, CO{sub 2}, NO, and NO{sub 2}) adsorbed on B and N atoms in bilayer graphene using first-principles electronic-structure calculations. We find that NO and NO{sub 2} molecules can be bound chemically on B-doped bilayer graphene with large adsorption energies, while CO and CO{sub 2} molecules are not adsorbed chemically on B-doped one. In the case of the N-doped graphene, all four gases do not bind with chemical bonds but adsorb rather physically with small adsorption energies at long distances between gases and graphene. The adsorptions of NO and NO{sub 2} molecules on B-doped bilayer graphene induce the acceptor states above the Fermi energy, and we also find that the charge transfer takes place when the NO and the NO{sub 2} molecules are adsorbed. Thereby, the B-doped bilayer graphene is expected to be useful for NO and NO{sub 2} gas sensor materials.

  14. Interplay of charge, orbital and magnetic order in Pr1-xCaxMnO3

    International Nuclear Information System (INIS)

    Zimmermann V, M.; Hill, J.P.; Gibbs, D.; Blume, M.; Casa, D.; Keimer, B.; Murakami, Y.; Tomioka, Y.; Tokura, Y.

    1999-01-01

    The authors report resonant x-ray scattering studies of charge and orbital order in Pr 1-x Ca x MnO 3 with x = 0.4 and 0.5. Below the ordering temperature, T O = 245 K, the charge and orbital order intensities follow the same temperature dependence, including an increase at the antiferromagnetic ordering temperature, T N . High resolution measurements reveal, however, that long range orbital order is never achieved. Rather, an orbital domain state is formed. Above T O , the charge order fluctuations are more highly correlated than the orbital fluctuations. Similar phenomenology is observed in a magnetic field. They conclude that the charge order drives the orbital order at the transition

  15. Communication: Orientational self-ordering of spin-labeled cholesterol analogs in lipid bilayers in diluted conditions

    Energy Technology Data Exchange (ETDEWEB)

    Kardash, Maria E.; Dzuba, Sergei A., E-mail: dzuba@kinetics.nsc.ru [Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia, and Novosibirsk State University, 630090 Novosibirsk (Russian Federation)

    2014-12-07

    Lipid-cholesterol interactions are responsible for different properties of biological membranes including those determining formation in the membrane of spatial inhomogeneities (lipid rafts). To get new information on these interactions, electron spin echo (ESE) spectroscopy, which is a pulsed version of electron paramagnetic resonance (EPR), was applied to study 3β-doxyl-5α-cholestane (DCh), a spin-labeled analog of cholesterol, in phospholipid bilayer consisted of equimolecular mixture of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine and 1,2-dioleoyl-sn-glycero-3-phosphocholine. DCh concentration in the bilayer was between 0.1 mol.% and 4 mol.%. For comparison, a reference system containing a spin-labeled 5-doxyl-stearic acid (5-DSA) instead of DCh was studied as well. The effects of “instantaneous diffusion” in ESE decay and in echo-detected (ED) EPR spectra were explored for both systems. The reference system showed good agreement with the theoretical prediction for the model of spin labels of randomly distributed orientations, but the DCh system demonstrated remarkably smaller effects. The results were explained by assuming that neighboring DCh molecules are oriented in a correlative way. However, this correlation does not imply the formation of clusters of cholesterol molecules, because conventional continuous wave EPR spectra did not show the typical broadening due to aggregation of spin labels and the observed ESE decay was not faster than in the reference system. So the obtained data evidence that cholesterol molecules at low concentrations in biological membranes can interact via large distances of several nanometers which results in their orientational self-ordering.

  16. High-resolution x-ray scattering studies of charge ordering in highly correlated electron systems

    International Nuclear Information System (INIS)

    Ghazi, M.E.

    2002-01-01

    Many important properties of transition metal oxides such as, copper oxide high-temperature superconductivity and colossal magnetoresistance (CMR) in manganites are due to strong electron-electron interactions, and hence these systems are called highly correlated systems. These materials are characterised by the coexistence of different kinds of order, including charge, orbital, and magnetic moment. This thesis contains high-resolution X-ray scattering studies of charge ordering in such systems namely the high-T C copper oxides isostructural system, La 2-x Sr x NiO 4 with various Sr concentrations (x = 0.33 - 0.2), and the CMR manganite system, Nd 1/2 Sr 1/2 MnO 3 . It also includes a review of charge ordering in a large variety of transition metal oxides, such as ferrates, vanadates, cobaltates, nickelates, manganites, and cuprates systems, which have been reported to date in the scientific literature. Using high-resolution synchrotron X-ray scattering, it has been demonstrated that the charge stripes exist in a series of single crystals of La 2-x Sr x NiO 4 with Sr concentrations (x = 0.33 - 0.2) at low temperatures. Satellite reflections due to the charge ordering were found with the wavevector (2ε, 0, 1) below the charge ordering transition temperature, T CO , where 2ε is the amount of separation from the corresponding Bragg peak. The charge stripes are shown to be two-dimensional in nature both by measurements of their correlation lengths and by measurement of the critical exponents of the charge stripe melting transition with an anomaly at x = 0.25. The results show by decreasing the hole concentration from the x = 0.33 to 0.2, the well-correlated charge stripes change to a glassy state at x = 0.25. The electronic transition into the charge stripe phase is second-order without any corresponding structural transition. Above the second-order transition critical scattering was observed due to fluctuations into the charge stripe phase. In a single-crystal of Nd

  17. Magnetic properties of epitaxial bismuth ferrite-garnet mono- and bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Semuk, E.Yu.; Berzhansky, V.N.; Prokopov, A.R.; Shaposhnikov, A.N.; Karavainikov, A.V. [Taurida National V.I. Vernadsky University, Vernadsky Avenue, 4, 95007 Simferopol (Ukraine); Salyuk, O.Yu. [Institute of Magnetism NASU and MESU, 36-B Vernadsky Blvd., 03142 Kiev (Ukraine); Golub, V.O., E-mail: golub@imag.kiev.ua [Institute of Magnetism NASU and MESU, 36-B Vernadsky Blvd., 03142 Kiev (Ukraine)

    2015-11-15

    Magnetic properties of Bi{sub 1.5}Gd{sub 1.5}Fe{sub 4.5}Al{sub 0.5}O{sub 12} (84 nm) and Bi{sub 2.8}Y{sub 0.2}Fe{sub 5}O{sub 12} (180 nm) films epitaxially grown on gallium-gadolinium garnet (GGG) single crystal (111) substrate as well as Bi{sub 1.5}Gd{sub 1.5}Fe{sub 4.5}Al{sub 0.5}O{sub 12}/Bi{sub 2.8}Y{sub 0.2}Fe{sub 5}O{sub 12} bilayer were investigated using ferromagnetic resonance technique. The mismatch of the lattice parameters of substrate and magnetic layers leads to formation of adaptive layers which affect on the high order anisotropy constant of the films but practically do not affect on uniaxial perpendicular magnetic anisotropy The magnetic properties of the bilayer film were explained in supposition of strong exchange coupling between magnetic layers taking into account film-film and film-substrate elastic interaction. - Highlights: • Magnetic parameters of epitaxial Bi-YIG films and bilayers on GGG substrate. • Adaptive layers affect on high order magnetic anisotropy. • Magnetic properties of bilayers are result of strong exchange interaction.

  18. Hydrophobic silver nanoparticles trapped in lipid bilayers: Size distribution, bilayer phase behavior, and optical properties

    Directory of Open Access Journals (Sweden)

    Bothun Geoffrey D

    2008-11-01

    Full Text Available Abstract Background Lipid-based dispersion of nanoparticles provides a biologically inspired route to designing therapeutic agents and a means of reducing nanoparticle toxicity. Little is currently known on how the presence of nanoparticles influences lipid vesicle stability and bilayer phase behavior. In this work, the formation of aqueous lipid/nanoparticle assemblies (LNAs consisting of hydrophobic silver-decanethiol particles (5.7 ± 1.8 nm embedded within 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC bilayers is demonstrated as a function of the DPPC/Ag nanoparticle (AgNP ratio. The effect of nanoparticle loading on the size distribution, bilayer phase behavior, and bilayer fluidity is determined. Concomitantly, the effect of bilayer incorporation on the optical properties of the AgNPs is also examined. Results The dispersions were stable at 50°C where the bilayers existed in a liquid crystalline state, but phase separated at 25°C where the bilayers were in a gel state, consistent with vesicle aggregation below the lipid melting temperature. Formation of bilayer-embedded nanoparticles was confirmed by differential scanning calorimetry and fluorescence anisotropy, where increasing nanoparticle concentration suppressed the lipid pretransition temperature, reduced the melting temperature, and disrupted gel phase bilayers. The characteristic surface plasmon resonance (SPR wavelength of the embedded nanoparticles was independent of the bilayer phase; however, the SPR absorbance was dependent on vesicle aggregation. Conclusion These results suggest that lipid bilayers can distort to accommodate large hydrophobic nanoparticles, relative to the thickness of the bilayer, and may provide insight into nanoparticle/biomembrane interactions and the design of multifunctional liposomal carriers.

  19. Lipid bilayers and interfaces

    NARCIS (Netherlands)

    Kik, R.A.

    2007-01-01

    In biological systems lipid bilayers are subject to many different interactions with other entities. These can range from proteins that are attached to the hydrophilic region of the bilayer or transmembrane proteins that interact with the hydrophobic region of the lipid bilayer. Interaction between

  20. A split accumulation gate architecture for silicon MOS quantum dots

    Science.gov (United States)

    Rochette, Sophie; Rudolph, Martin; Roy, Anne-Marie; Curry, Matthew; Ten Eyck, Gregory; Dominguez, Jason; Manginell, Ronald; Pluym, Tammy; King Gamble, John; Lilly, Michael; Bureau-Oxton, Chloé; Carroll, Malcolm S.; Pioro-Ladrière, Michel

    We investigate tunnel barrier modulation without barrier electrodes in a split accumulation gate architecture for silicon metal-oxide-semiconductor quantum dots (QD). The layout consists of two independent accumulation gates, one gate forming a reservoir and the other the QD. The devices are fabricated with a foundry-compatible, etched, poly-silicon gate stack. We demonstrate 4 orders of magnitude of tunnel-rate control between the QD and the reservoir by modulating the reservoir gate voltage. Last electron charging energies of app. 10 meV and tuning of the ST splitting in the range 100-200 ueV are observed in two different split gate layouts and labs. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000.

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

    Science.gov (United States)

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

    2003-11-01

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

  2. Mechanical control of the electro-optical properties of monolayer and bilayer BC3 by applying the in-plane biaxial strain

    Science.gov (United States)

    Behzad, Somayeh

    2017-11-01

    Recently, a new two-dimensional (2D) material, the 2D BC3 crystal, has been synthesized. Here, the mechanical control of the electro-optical properties of monolayer and bilayer BC3 by applying the biaxial strain is investigated. The electronic structure calculations showed that the strain-free monolayer and bilayer BC3 are indirect band-gap semiconductors with band gap of 0.62 and 0.29 eV, respectively, where the conduction band minimum (CBM) is at the M point whereas the valence band maximum (VBM) is at the Γ point. The doubly degenerated bands in the monolayer BC3 are splitted in the bilayer BC3 due to the interlayer interactions. Both monolayer and bilayer BC3 remain indirect gap semiconductor under biaxial tensile strain and their band gaps increases with strain. On the other hand, by increasing the magnitude of tensile strain, the optical spectra shift to the lower energies and the static dielectric constant increases. These findings suggest the potential of strain-engineered 2D BC3 in electronic and optoelectronic device applications.

  3. Magnetotransport of High Mobility Holes in Monolayer and Bilayer WSe2

    Science.gov (United States)

    Tutuc, Emanuel

    Transition metal dichalcogenides have attracted significant interest because of their two-dimensional crystal structure, large band-gap, and strong spin-orbit interaction which leads to spin-valley locking. Recent advances in sample fabrication have allowed the experimental study of low temperature magneto-transport of high mobility holes in WSe2. We review here the main results of these studies which reveal clear quantum Hall states in mono- and bilayer WSe2. The data allows the extraction of an effective hole mass of m* = 0.45me (me is the bare electron mass) in both mono and bilayer WSe2. A systematic study of the carrier distribution in bilayer WSe2 determined from a Fourier analysis of the Shubnikov-de Haas oscillations indicates that the two layers are weakly coupled. The individual layer density dependence on gate bias shows negative compressibility, a signature of strong electron-electron interaction in these materials associated with the large effective mass. We discuss the interplay between cyclotron and Zeeman splitting using the dependence of the quantum Hall state sequence on carrier density, and the angle between the magnetic field and the WSe2 plane. Work done in collaboration with B. Fallahazad, H. C. P. Movva, K. Kim, S. K. Banerjee, T. Taniguchi, and K. Watanabe. This work supported by the Nanoelectronics Research Initiative SWAN center, Intel Corp., and National Science Foundation.

  4. Coded Splitting Tree Protocols

    DEFF Research Database (Denmark)

    Sørensen, Jesper Hemming; Stefanovic, Cedomir; Popovski, Petar

    2013-01-01

    This paper presents a novel approach to multiple access control called coded splitting tree protocol. The approach builds on the known tree splitting protocols, code structure and successive interference cancellation (SIC). Several instances of the tree splitting protocol are initiated, each...... instance is terminated prematurely and subsequently iterated. The combined set of leaves from all the tree instances can then be viewed as a graph code, which is decodable using belief propagation. The main design problem is determining the order of splitting, which enables successful decoding as early...

  5. High-order space charge effects using automatic differentiation

    International Nuclear Information System (INIS)

    Reusch, Michael F.; Bruhwiler, David L.

    1997-01-01

    The Northrop Grumman Topkark code has been upgraded to Fortran 90, making use of operator overloading, so the same code can be used to either track an array of particles or construct a Taylor map representation of the accelerator lattice. We review beam optics and beam dynamics simulations conducted with TOPKARK in the past and we present a new method for modeling space charge forces to high-order with automatic differentiation. This method generates an accurate, high-order, 6-D Taylor map of the phase space variable trajectories for a bunched, high-current beam. The spatial distribution is modeled as the product of a Taylor Series times a Gaussian. The variables in the argument of the Gaussian are normalized to the respective second moments of the distribution. This form allows for accurate representation of a wide range of realistic distributions, including any asymmetries, and allows for rapid calculation of the space charge fields with free space boundary conditions. An example problem is presented to illustrate our approach

  6. Filament networks attached to membranes: cytoskeletal pressure and local bilayer deformation

    International Nuclear Information System (INIS)

    Auth, Thorsten; Safran, S A; Gov, Nir S

    2007-01-01

    Several cell types, among them red blood cells, have a cortical, two-dimensional (2D) network of filaments sparsely attached to their lipid bilayer. In many mammalian cells, this 2D polymer network is connected to an underlying 3D, more rigid cytoskeleton. In this paper, we consider the pressure exerted by the thermally fluctuating, cortical network of filaments on the bilayer and predict the bilayer deformations that are induced by this pressure. We treat the filaments as flexible polymers and calculate the pressure that a network of such linear chains exerts on the bilayer; we then minimize the bilayer shape in order to predict the resulting local deformations. We compare our predictions with membrane deformations observed in electron micrographs of red blood cells. The polymer pressure along with the resulting membrane deformation can lead to compartmentalization, regulate in-plane diffusion and may influence protein sorting as well as transmit signals to the polymerization of the underlying 3D cytoskeleton

  7. ProteinSplit: splitting of multi-domain proteins using prediction of ordered and disordered regions in protein sequences for virtual structural genomics

    International Nuclear Information System (INIS)

    Wyrwicz, Lucjan S; Koczyk, Grzegorz; Rychlewski, Leszek; Plewczynski, Dariusz

    2007-01-01

    The annotation of protein folds within newly sequenced genomes is the main target for semi-automated protein structure prediction (virtual structural genomics). A large number of automated methods have been developed recently with very good results in the case of single-domain proteins. Unfortunately, most of these automated methods often fail to properly predict the distant homology between a given multi-domain protein query and structural templates. Therefore a multi-domain protein should be split into domains in order to overcome this limitation. ProteinSplit is designed to identify protein domain boundaries using a novel algorithm that predicts disordered regions in protein sequences. The software utilizes various sequence characteristics to assess the local propensity of a protein to be disordered or ordered in terms of local structure stability. These disordered parts of a protein are likely to create interdomain spacers. Because of its speed and portability, the method was successfully applied to several genome-wide fold annotation experiments. The user can run an automated analysis of sets of proteins or perform semi-automated multiple user projects (saving the results on the server). Additionally the sequences of predicted domains can be sent to the Bioinfo.PL Protein Structure Prediction Meta-Server for further protein three-dimensional structure and function prediction. The program is freely accessible as a web service at http://lucjan.bioinfo.pl/proteinsplit together with detailed benchmark results on the critical assessment of a fully automated structure prediction (CAFASP) set of sequences. The source code of the local version of protein domain boundary prediction is available upon request from the authors

  8. Study on the optical and electrical properties of tetracyanoethylene doped bilayer graphene stack for transparent conducting electrodes

    International Nuclear Information System (INIS)

    Limbu, Tej B.; Barrionuevo, Danilo; Katiyar, Ram S.; Morell, Gerardo; Mendoza, Frank; Carpena, Jennifer; Maruyama, Benji; Weiner, Brad R.

    2016-01-01

    We report the optical and electrical properties of chemically-doped bilayer graphene stack by tetracyanoethylene, a strong electron acceptor. The Tetracyanoethylene doping on the bilayer graphene via charge transfer was confirmed by Raman spectroscopy and Infrared Fourier transform spectroscopy. Doped graphene shows a significant increase in the sheet carrier concentration of up to 1.520 × 10"1"3 cm"−"2 with a concomitant reduction of the sheet resistance down to 414.1 Ω/sq. The high optical transmittance (ca. 84%) in the visible region in combination with the low sheet resistance of the Tetracyanoethylene-doped bilayer graphene stack opens up the possibility of making transparent conducting electrodes for practical applications.

  9. A comparison of the transport properties of bilayer graphene,monolayer graphene, and two-dimensional electron gas

    Institute of Scientific and Technical Information of China (English)

    Sun Li-Feng; Dong Li-Min; Wu Zhi-Fang; Fang Chao

    2013-01-01

    we studied and compared the transport properties of charge carriers in bilayer graphene,monolayer graphene,and the conventional semiconductors (the two-dimensional electron gas (2DEG)).It is elucidated that the normal incidence transmission in the bilayer graphene is identical to that in the 2DEG but totally different from that in the monolayer graphene.However,resonant peaks appear in the non-normal incidence transmission profile for a high barrier in the bilayer graphene,which do not occur in the 2DEG.Furthermore,there are tunneling and forbidden regions in the transmission spectrum for each material,and the division of the two regions has been given in the work.The tunneling region covers a wide range of the incident energy for the two graphene systems,but only exists under specific conditions for the 2DEG.The counterparts of the transmission in the conductance profile are also given for the three materials,which may be used as high-performance devices based on the bilayer graphene.

  10. LO-TO splittings, effective charges and interactions in electro-optic meta-nitroaniline crystal as studied by polarized IR reflection and transmission spectra

    Science.gov (United States)

    Szostak, M. M.; Le Calvé, N.; Romain, F.; Pasquier, B.

    1994-10-01

    The polarized IR reflection spectra of the meta-nitroaniline ( m-NA) single crystal along the a, b and c crystallographic axes as well as the b and c polarized transmission spectra have been measured in the 100-400 cm -1 region. The LO-TO splitting values have been calculated from the reflection spectra by fitting them with the four parameter dielectric function. The dipole moment derivatives, relevant to dynamic effective charges, of the vibrations have also been calculated and used to check the applicability of the oriented gas model (OGM) to reflection spectra. The discrepancies from the OGM have been discussed in terms of vibronic couplings, weak hydrogen bondings (HB) and intramolecular charge transfer.

  11. Correlation effects on spin-polarized electron-hole quantum bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Saini, L. K., E-mail: drlalitsaini75@gmail.com; Sharma, R. O., E-mail: sharmarajesh0387@gmail.com [Department of Applied Physics, S. V. National Institute of Technology, Surat – 395 007 (India); Nayak, Mukesh G. [Department of Physics, Silvassa College (Silvassa Institute of Higher Learning), Silvassa 396 230 (India)

    2016-05-06

    We present a numerical calculation for the intra- and interlayer pair-correlation functions, g{sub ll’}(r), of spin-polarized electron-hole quantum bilayers at zero temperature. The calculations of g{sub ll’}(r) are performed by including electron correlations within the dynamical version of the self-consistent mean-field approximation of Singwi, Tosi, Land and Sjölander (qSTLS). Our study reveals that the critical layer density decreases (increases) due to the inclusion of finite width (mass-asymmetry) effect during the phase-transition from charge-density wave to Wigner crystal ground-state by yielding the pronounced oscillatory behavior ing{sub ll}(r). The results are compared with recent findings of spin-polarized electron-hole quantum bilayers with mass-symmetry and zero width effects. To highlight the importance of dynamical character of correlations, we have also compared our results with the STLS results.

  12. Radiation-reaction force on a small charged body to second order

    Science.gov (United States)

    Moxon, Jordan; Flanagan, Éanna

    2018-05-01

    In classical electrodynamics, an accelerating charged body emits radiation and experiences a corresponding radiation-reaction force, or self-force. We extend to higher order in the total charge a previous rigorous derivation of the electromagnetic self-force in flat spacetime by Gralla, Harte, and Wald. The method introduced by Gralla, Harte, and Wald computes the self-force from the Maxwell field equations and conservation of stress-energy in a limit where the charge, size, and mass of the body go to zero, and it does not require regularization of a singular self-field. For our higher-order computation, an adjustment of the definition of the mass of the body is necessary to avoid including self-energy from the electromagnetic field sourced by the body in the distant past. We derive the evolution equations for the mass, spin, and center-of-mass position of the body through second order. We derive, for the first time, the second-order acceleration dependence of the evolution of the spin (self-torque), as well as a mixing between the extended body effects and the acceleration-dependent effects on the overall body motion.

  13. Prediction and Experimental Evidence for Thermodynamically Stable Charged Orbital Domain Walls

    Energy Technology Data Exchange (ETDEWEB)

    Li, Qing’an; Gray, K. E.; Wilkins, S. B.; Garcia Fernandez, M.; Rosenkranz, S.; Zheng, H.; Mitchell, J. F.

    2014-08-01

    The quest for miniaturization is prevalent in many fields of modern science and technology. The ultimate limit for conduction would be a one-dimensional (1D) chain of atoms and, for example, carbon nanotubes are a notable approximation to this ideal. Here we present strong evidence for an unexpected phenomenon—a sliding charge-density wave along pseudo-1D, atomically homogeneous orbital domain walls (ODWs) in insulating bilayer manganite crystals. At a threshold electric field, crystals exhibit abrupt transformations to higher conductance, while x-ray diffraction confirms that these are not due to heating or melting of charge order. The conductance data resemble those of well-known pseudo-1D sliding-charge-density waves, in particular the presence of a depinning voltage. The vital link is our theoretical insight that ODWs must be partially charged due to competition between orbital-induced strain and Coulomb repulsion. The ideas found here embody a new principle for creating ultra-nano conductive paths in other materials and devices.

  14. Interaction of saponin 1688 with phase separated lipid bilayers.

    Science.gov (United States)

    Chen, Maohui; Balhara, Vinod; Jaimes Castillo, Ana Maria; Balsevich, John; Johnston, Linda J

    2017-07-01

    Saponins are a diverse family of naturally occurring plant triterpene or steroid glycosides that have a wide range of biological activities. They have been shown to permeabilize membranes and in some cases membrane disruption has been hypothesized to involve saponin/cholesterol complexes. We have examined the interaction of steroidal saponin 1688-1 with lipid membranes that contain cholesterol and have a mixture of liquid-ordered (L o ) and liquid-disordered (L d ) phases as a model for lipid rafts in cellular membranes. A combination of atomic force microscopy (AFM) and fluorescence was used to probe the effect of saponin on the bilayer. The results demonstrate that saponin forms defects in the membrane and also leads to formation of small aggregates on the membrane surface. Although most of the membrane damage occurs in the liquid-disordered phase, fluorescence results demonstrate that saponin localizes in both ordered and disordered membrane phases, with a modest preference for the disordered regions. Similar effects are observed for both direct incorporation of saponin in the lipid mixture used to make vesicles/bilayers and for incubation of saponin with preformed bilayers. The results suggest that the initial sites of interaction are at the interface between the domains and surrounding disordered phase. The preference for saponin localization in the disordered phase may reflect the ease of penetration of saponin into a less ordered membrane, rather than the actual cholesterol concentration in the membrane. Dye leakage assays indicate that a high concentration of saponin is required for membrane permeabilization consistent with the supported lipid bilayer experiments. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

  15. Breakdown of antiferromagnet order in polycrystalline NiFe/NiO bilayers probed with acoustic emission

    Science.gov (United States)

    Lebyodkin, M. A.; Lebedkina, T. A.; Shashkov, I. V.; Gornakov, V. S.

    2017-07-01

    Magnetization reversal of polycrystalline NiFe/NiO bilayers was investigated using magneto-optical indicator film imaging and acoustic emission techniques. Sporadic acoustic signals were detected in a constant magnetic field after the magnetization reversal. It is suggested that they are related to elastic waves excited by sharp shocks in the NiO layer with strong magnetostriction. Their probability depends on the history and number of repetitions of the field cycling, thus testifying the thermal-activation nature of the long-time relaxation of an antiferromagnetic order. These results provide evidence of spontaneous thermally activated switching of the antiferromagnetic order in NiO grains during magnetization reversal in ferromagnet/antiferromagnet (FM/AFM) heterostructures. The respective deformation modes are discussed in terms of the thermal fluctuation aftereffect in the Fulcomer and Charap model which predicts that irreversible breakdown of the original spin orientation can take place in some antiferromagnetic grains with disordered anisotropy axes during magnetization reversal of exchange-coupled FM/AFM structures. The spin reorientation in the saturated state may induce abrupt distortion of isolated metastable grains because of the NiO magnetostriction, leading to excitation of shock waves and formation of plate (or Lamb) waves.

  16. High-order space charge effects using automatic differentiation

    International Nuclear Information System (INIS)

    Reusch, M.F.; Bruhwiler, D.L.; Computer Accelerator Physics Conference Williamsburg, Virginia 1996)

    1997-01-01

    The Northrop Grumman Topkark code has been upgraded to Fortran 90, making use of operator overloading, so the same code can be used to either track an array of particles or construct a Taylor map representation of the accelerator lattice. We review beam optics and beam dynamics simulations conducted with TOPKARK in the past and we present a new method for modeling space charge forces to high-order with automatic differentiation. This method generates an accurate, high-order, 6-D Taylor map of the phase space variable trajectories for a bunched, high-current beam. The spatial distribution is modeled as the product of a Taylor Series times a Gaussian. The variables in the argument of the Gaussian are normalized to the respective second moments of the distribution. This form allows for accurate representation of a wide range of realistic distributions, including any asymmetries, and allows for rapid calculation of the space charge fields with free space boundary conditions. An example problem is presented to illustrate our approach. copyright 1997 American Institute of Physics

  17. Model for the structure of the lipid bilayer

    International Nuclear Information System (INIS)

    Pastor, R.W.; Venable, R.M.; Karplus, M.

    1991-01-01

    A detailed model for the structure and dynamics of the interior of the lipid bilayer in the liquid crystal phase is presented. The model includes two classes of motion: (i) the internal dynamics of the chains, determined from Brownian dynamics simulations with a continuous version of the Marcelja mean-field potential, and (ii) noncollective reorientation (axial rotation and wobble) of the entire molecule, introduced by a cone model. The basic unit of the model is a single lipid chain with field parameters adjusted to fit the 2H order parameters and the frequency-dependent 13C NMR T1 relaxation times of dipalmitoyl phosphatidylcholine bilayers. The chain configurations obtained from the trajectory are used to construct a representation of the bilayer. The resulting lipid assembly is consistent with NMR, neutron diffraction, surface area, and density data. It indicates that a high degree of chain disorder and entanglement exists in biological membranes

  18. The use of charge extraction by linearly increasing voltage in polar organic light-emitting diodes

    Science.gov (United States)

    Züfle, Simon; Altazin, Stéphane; Hofmann, Alexander; Jäger, Lars; Neukom, Martin T.; Schmidt, Tobias D.; Brütting, Wolfgang; Ruhstaller, Beat

    2017-05-01

    We demonstrate the application of the CELIV (charge carrier extraction by linearly increasing voltage) technique to bilayer organic light-emitting devices (OLEDs) in order to selectively determine the hole mobility in N,N0-bis(1-naphthyl)-N,N0-diphenyl-1,10-biphenyl-4,40-diamine (α-NPD). In the CELIV technique, mobile charges in the active layer are extracted by applying a negative voltage ramp, leading to a peak superimposed to the measured displacement current whose temporal position is related to the charge carrier mobility. In fully operating devices, however, bipolar carrier transport and recombination complicate the analysis of CELIV transients as well as the assignment of the extracted mobility value to one charge carrier species. This has motivated a new approach of fabricating dedicated metal-insulator-semiconductor (MIS) devices, where the extraction current contains signatures of only one charge carrier type. In this work, we show that the MIS-CELIV concept can be employed in bilayer polar OLEDs as well, which are easy to fabricate using most common electron transport layers (ETLs), like Tris-(8-hydroxyquinoline)aluminum (Alq3). Due to the macroscopic polarization of the ETL, holes are already injected into the hole transport layer below the built-in voltage and accumulate at the internal interface with the ETL. This way, by a standard CELIV experiment only holes will be extracted, allowing us to determine their mobility. The approach can be established as a powerful way of selectively measuring charge mobilities in new materials in a standard device configuration.

  19. Intrinsic magnetism and spontaneous band gap opening in bilayer silicene and germanene.

    Science.gov (United States)

    Wang, Xinquan; Wu, Zhigang

    2017-01-18

    It has been long sought to create magnetism out of simple non-magnetic materials, such as silicon and germanium. Here we show that intrinsic magnetism exists in bilayer silicene and germanene with no need to cut, etch, or dope. Unlike bilayer graphene, strong covalent interlayer bonding formed in bilayer silicene and germanene breaks the original π-bonding network of each layer, leaving the unbonded electrons unpaired and localized to carry magnetic moments. These magnetic moments then couple ferromagnetically within each layer while antiferromagnetically across two layers, giving rise to an infinite magnetic sheet with structural integrity and magnetic homogeneity. Furthermore, this unique magnetic ordering results in fundamental band gaps of 0.55 eV and 0.32 eV for bilayer silicene and germanene, respectively. The integration of intrinsic magnetism and spontaneous band gap opening makes bilayer silicene and germanene attractive for future nanoelectronics as well as spin-based computation and data storage.

  20. Transport in bilayer and trilayer graphene: band gap engineering and band structure tuning

    Science.gov (United States)

    Zhu, Jun

    2014-03-01

    Controlling the stacking order of atomically thin 2D materials offers a powerful tool to control their properties. Linearly dispersed bands become hyperbolic in Bernal (AB) stacked bilayer graphene (BLG). Both Bernal (ABA) and rhombohedral (ABC) stacking occur in trilayer graphene (TLG), producing distinct band structures and electronic properties. A symmetry-breaking electric field perpendicular to the sample plane can further modify the band structures of BLG and TLG. In this talk, I will describe our experimental effort in these directions using dual-gated devices. Using thin HfO2 film deposited by ALD as gate dielectric, we are able to apply large displacement fields D > 6 V/nm and observe the opening and saturation of the field-induced band gap Eg in bilayer and ABC-stacked trilayer graphene, where the conduction in the mid gap changes by more than six decades. Its field and temperature dependence highlights the crucial role played by Coulomb disorder in facilitating hopping conduction and suppressing the effect of Eg in the tens of meV regime. In contrast, mid-gap conduction decreases with increasing D much more rapidly in clean h-BN dual-gated devices. Our studies also show the evolution of the band structure in ABA-stacked TLG, in particular the splitting of the Dirac-like bands in large D field and the signatures of two-band transport at high carrier densities. Comparison to theory reveals the need for more sophisticated treatment of electronic screening beyond self-consistent Hartree calculations to accurately predict the band structures of trilayer graphene and graphenic materials in general.

  1. Higher-order predictions for splitting functions and coefficient functions from physical evolution kernels

    International Nuclear Information System (INIS)

    Vogt, A; Soar, G.; Vermaseren, J.A.M.

    2010-01-01

    We have studied the physical evolution kernels for nine non-singlet observables in deep-inelastic scattering (DIS), semi-inclusive e + e - annihilation and the Drell-Yan (DY) process, and for the flavour-singlet case of the photon- and heavy-top Higgs-exchange structure functions (F 2 , F φ ) in DIS. All known contributions to these kernels show an only single-logarithmic large-x enhancement at all powers of (1-x). Conjecturing that this behaviour persists to (all) higher orders, we have predicted the highest three (DY: two) double logarithms of the higher-order non-singlet coefficient functions and of the four-loop singlet splitting functions. The coefficient-function predictions can be written as exponentiations of 1/N-suppressed contributions in Mellin-N space which, however, are less predictive than the well-known exponentiation of the ln k N terms. (orig.)

  2. Enhanced intrinsic voltage gain in artificially stacked bilayer CVD graphene field effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, Himadri; Kataria, Satender [RWTH Aachen University, Chair for Electronic Devices, Aachen (Germany); University of Siegen, School of Science and Technology, Siegen (Germany); Aguirre-Morales, Jorge-Daniel; Fregonese, Sebastien; Zimmer, Thomas [IMS Laboratory, Centre National de la Recherche Scientifique, University of Bordeaux, Talence (France); Passi, Vikram [University of Siegen, School of Science and Technology, Siegen (Germany); AMO GmbH, Advanced Microelectronics Center Aachen (Germany); Iannazzo, Mario; Alarcon, Eduard [Technical University of Catalonia, Department of Electronics Engineering, UPC, Barcelona (Spain); Lemme, Max C. [RWTH Aachen University, Chair for Electronic Devices, Aachen (Germany); University of Siegen, School of Science and Technology, Siegen (Germany); AMO GmbH, Advanced Microelectronics Center Aachen (Germany)

    2017-11-15

    We report on electronic transport in dual-gate, artificially stacked bilayer graphene field effect transistors (BiGFETs) fabricated from large-area chemical vapor deposited (CVD) graphene. The devices show enhanced tendency to current saturation, which leads to reduced minimum output conductance values. This results in improved intrinsic voltage gain of the devices when compared to monolayer graphene FETs. We employ a physics based compact model originally developed for Bernal stacked bilayer graphene FETs (BSBGFETs) to explore the observed phenomenon. The improvement in current saturation may be attributed to increased charge carrier density in the channel and thus reduced saturation velocity due to carrier-carrier scattering. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Interfacial molecular order of conjugated polymer in P3HT:ZnO bilayer photovoltaics and its impact on device performance

    KAUST Repository

    Wood, Sebastian

    2013-01-01

    Hybrid (organic-oxide) photovoltaic device performance is highly dependent on the nature and quality of the organic-oxide interface. This work investigates the details of interfacial morphology in terms of the molecular order of poly(3-hexylthiophene) (P3HT) at the planar interface with zinc oxide (ZnO) formed by pulsed laser deposition. Resonant Raman spectroscopy is employed as a powerful morphological probe for conjugated polymers to reveal that the interfacial P3HT is disrupted during the deposition process whereas the bulk polymer shows an increase in molecular order. External quantum efficiency measurements of P3HT:ZnO bilayer devices show that this disordered P3HT region is active in photocurrent generation. © 2013 AIP Publishing LLC.

  4. Charge ordering transition in GdBaCo2O5: Evidence of reentrant behavior

    Science.gov (United States)

    Allieta, M.; Scavini, M.; Lo Presti, L.; Coduri, M.; Loconte, L.; Cappelli, S.; Oliva, C.; Ghigna, P.; Pattison, P.; Scagnoli, V.

    2013-12-01

    We present a detailed study on the charge ordering transition in a GdBaCo2O5.0 system by combining high-resolution synchrotron powder/single-crystal diffraction with electron paramagnetic resonance experiments as a function of temperature. We found a second-order structural phase transition at TCO = 247 K (Pmmm to Pmma) associated with the onset of long-range charge ordering. At Tmin ≈ 1.2TCO, the electron paramagnetic resonance linewidth rapidly broadens, providing evidence of antiferromagnetic spin fluctuations. This likely indicates that, analogously to manganites, the long-range antiferromagnetic order in GdBaCo2O5.0 sets in at ≈TCO. Pair distribution function analysis of diffraction data revealed signatures of structural inhomogeneities at low temperature. By comparing the average and local bond valences, we found that above TCO the local structure is consistent with a fully random occupation of Co2+ and Co3+ in a 1:1 ratio and with a complete charge ordering below TCO. Below T ≈ 100 K the charge localization is partially melted at the local scale, suggesting a reentrant behavior of charge ordering. This result is supported by the weakening of superstructure reflections and the temperature evolution of electron paramagnetic resonance linewidth that is consistent with paramagnetic reentrant behavior reported in the GdBaCo2O5.5 parent compound.

  5. Refined OPLS All-Atom Force Field for Saturated Phosphatidylcholine Bilayers at Full Hydration

    DEFF Research Database (Denmark)

    Maciejewski, A.; Pasenkiewicz-Gierula, M.; Cramariuc, O.

    2014-01-01

    validation, and it is also one of the highly important and abundant lipid types, e.g., in lung surfactant. Overall, PCs have not been previously parametrized in the OPLS-AA force field; thus, there is a need to derive its bonding and nonbonding parameters for both the polar and nonpolar parts of the molecule....... In the present study, we determined the parameters for torsion angles in the phosphatidylcholine and glycerol moieties and in the acyl chains, as well the partial atomic charges. In these calculations, we used three methods: (1) Hartree-Fock (HF), (2) second order Moller-Plesset perturbation theory (MP2), and (3...... one was found to be able to satisfactorily reproduce experimental data for the lipid bilayer. The successful DPPC model was obtained from MP2 calculations in an implicit polar environment (PCM)....

  6. Cholesterol enhances surface water diffusion of phospholipid bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Chi-Yuan; Kausik, Ravinath; Han, Songi, E-mail: songi@chem.ucsb.edu [Department of Chemistry and Biochemistry and Materials Research Laboratory, University of California, Santa Barbara, California 93106 (United States); Olijve, Luuk L. C. [Laboratory of Macromolecular and Organic Chemistry and Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, 5600 MB, Eindhoven (Netherlands)

    2014-12-14

    Elucidating the physical effect of cholesterol (Chol) on biological membranes is necessary towards rationalizing their structural and functional role in cell membranes. One of the debated questions is the role of hydration water in Chol-embedding lipid membranes, for which only little direct experimental data are available. Here, we study the hydration dynamics in a series of Chol-rich and depleted bilayer systems using an approach termed {sup 1}H Overhauser dynamic nuclear polarization (ODNP) NMR relaxometry that enables the sensitive and selective determination of water diffusion within 5–10 Å of a nitroxide-based spin label, positioned off the surface of the polar headgroups or within the nonpolar core of lipid membranes. The Chol-rich membrane systems were prepared from mixtures of Chol, dipalmitoyl phosphatidylcholine and/or dioctadecyl phosphatidylcholine lipid that are known to form liquid-ordered, raft-like, domains. Our data reveal that the translational diffusion of local water on the surface and within the hydrocarbon volume of the bilayer is significantly altered, but in opposite directions: accelerated on the membrane surface and dramatically slowed in the bilayer interior with increasing Chol content. Electron paramagnetic resonance (EPR) lineshape analysis shows looser packing of lipid headgroups and concurrently tighter packing in the bilayer core with increasing Chol content, with the effects peaking at lipid compositions reported to form lipid rafts. The complementary capability of ODNP and EPR to site-specifically probe the hydration dynamics and lipid ordering in lipid membrane systems extends the current understanding of how Chol may regulate biological processes. One possible role of Chol is the facilitation of interactions between biological constituents and the lipid membrane through the weakening or disruption of strong hydrogen-bond networks of the surface hydration layers that otherwise exert stronger repulsive forces, as reflected in

  7. Tuning the energy gap of bilayer α-graphyne by applying strain and electric field

    Science.gov (United States)

    Yang, Hang; Wu, Wen-Zhi; Jin, Yu; Wan-Lin, Guo

    2016-02-01

    Our density functional theory calculations show that the energy gap of bilayer α-graphyne can be modulated by a vertically applied electric field and interlayer strain. Like bilayer graphene, the bilayer α-graphyne has electronic properties that are hardly changed under purely mechanical strain, while an external electric field can open the gap up to 120 meV. It is of special interest that compressive strain can further enlarge the field induced gap up to 160 meV, while tensile strain reduces the gap. We attribute the gap variation to the novel interlayer charge redistribution between bilayer α-graphynes. These findings shed light on the modulation of Dirac cone structures and potential applications of graphyne in mechanical-electric devices. Project supported by the National Key Basic Research Program of China (Grant Nos. 2013CB932604 and 2012CB933403), the National Natural Science Foundation of China (Grant Nos. 51472117 and 51535005), the Research Fund of State Key Laboratory of Mechanics and Control of Mechanical Structures, China (Grant No. 0414K01), the Nanjing University of Aeronautics and Astronautics (NUAA) Fundamental Research Funds, China (Grant No. NP2015203), and the Priority Academic Program Development of Jiangsu Higher Education Institutions.

  8. Molecular dynamics simulations of the effects of sodium dodecyl sulfate on lipid bilayer

    International Nuclear Information System (INIS)

    Xu Bin; Lin Wen-Qiang; Wang Xiao-Gang; Zhou Guo-Quan; Chen Jun-Lang; Zeng Song-wei

    2017-01-01

    Molecular dynamics simulations have been performed on the fully hydrated lipid bilayer with different concentrations of sodium dodecyl sulfate (SDS). SDS can readily penetrate into the membrane. The insertion of SDS causes a decrease in the bilayer area and increases in the bilayer thickness and lipid tail order, when the fraction of SDS is less than 28%. Through calculating the binding energy, we confirm that the presence of SDS strengthens the interactions among the DPPC lipids, while SDS molecules act as intermedia. Both the strong hydrophilic interactions between sulfate and phosphocholine groups and the hydrophobic interactions between SDS and DPPC hydrocarbon chains contribute to the tight packing and ordered alignment of the lipids. These results are in good agreement with the experimental observations and provide atomic level information that complements the experiments. (paper)

  9. Layer configurations comparison of bilayer-films for EGFET pH sensor application

    Science.gov (United States)

    Rahman, R. A.; Zulkefle, M. A.; Yusof, K. A.; Abdullah, W. F. H.; Rusop, M.; Herman, S. H.

    2018-05-01

    The comparison between bilayer configurations were presented in this paper. TiO2 and ZnO layer configurations were manipulated in order to investigate which configuration produce highest sensing performance to be applied as EGFET pH sensor. Both of the materials were deposited together as the bilayer film. The configurations were manipulated between TiO2/ZnO and ZnO/TiO2. ITO was used as the substrate in this study and both of the materials were deposited by using sol-gel spin coating technique. After deposition process, these bilayer film then undergone for EGFET pH sensor measurement and physical characterization. The EGFET pH sensor measurement was done by dipping the fabricated bilayer film into three different pH values, which is pH4, pH7 and pH10. Bilayer film act as the pH-sensitive membrane, which connected to the commercial metal-oxide semiconductor FET (MOSFET). This MOSFET was connected to the interfacing circuit. Voltage output obtained were recorded and the graph was plotted by using the data recorded. Based on the EGFET pH sensor measurement, TiO2/ZnO bilayer film exhibit higher sensing performance, compared with ZnO/TiO2. TiO2/ZnO bilayer film produced 53.10 mV/pH with the linearity value of 0.9913. Afterwards, fabricated bilayer films then were characterized with AFM to explore their surface roughness and surface topography behavior.

  10. Lamellar-lamellar phase separation of phospholipid bilayers induced by salting-in/-out effects

    Energy Technology Data Exchange (ETDEWEB)

    Hishida, Mafumi [Institute for Integrated Cell-Material Sciences, Kyoto University, Kyoto 606-8501 (Japan); Seto, Hideki, E-mail: hideki.seto@kek.jp [KENS and CMRC, Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba 305-0801 (Japan)

    2011-01-01

    The multilamellar structure of phospholipid bilayers is stabilized by the interactions between bilayers. Although the lamellar repeat distance is uniquely determined at the balance point of interactions between bilayers, a lamellar-lamellar phase separation, where the two phases with different lamellar repeat distance coexist, has been reported in a case of adding a salt to the aqueous solution of lipids. In order to understand the physical mechanism of the lamellar-lamellar phase separation, the effects of adding monovalent salt on the lamellar structure are studied by visual observation and by small-angle X-ray scattering. Further, a theoretical model based on the mean field theory is introduced and it is concluded that the salting-in and -out effects of lipid bilayers trigger the lamellar-lamellar phase separation.

  11. Interface reconstruction with emerging charge ordering in hexagonal manganite

    Science.gov (United States)

    Xu, Changsong; Han, Myung-Geun; Bao, Shanyong; Nan, Cewen; Bellaiche, Laurent

    2018-01-01

    Multiferroic materials, which simultaneously have multiple orderings, hold promise for use in the next generation of memory devices. We report a novel self-assembled MnO double layer forming at the interface between a multiferroic YMnO3 film and a c-Al2O3 substrate. The crystal structures and the valence states of this MnO double layer were studied by atomically resolved scanning transmission electron microscopy and spectroscopy, as well as density functional theory (DFT) calculations. A new type of charge ordering has been identified within this MnO layer, which also contributes to a polarization along the [001] direction. DFT calculations further establish the occurrence of multiple couplings between charge and lattice in this novel double layer, in addition to the polarization in nearby YMnO3 single layer. The interface reconstruction reported here creates a new playground for emergent physics, such as giant ferroelectricity and strong magnetoelectric coupling, in manganite systems. PMID:29795782

  12. Aromatic amino acids and ultraviolet induced photoelectric effects in bilayer membranes

    Energy Technology Data Exchange (ETDEWEB)

    Huebner, J S; Arrieta, R T [University of North Florida, Jacksonville (USA); Naval Medical Research Inst., Bethesda, MD (USA))

    1982-04-01

    Ultraviolet light flashes induced voltage transients across bilayer lipid membranes when aromatic amino acids were adsorbed to one side of the membrane. These photo-effects varied with the chromophore structure, the aqueous solution salt concentration, pH and oxygen partial pressure. These photo-effects are attributed to the migration of electrically charged photochemical intermediates in the membrane, and provide a new method for studying the effects of UV light on membranes.

  13. Composition driven monolayer to bilayer transformation in a surfactant intercalated Mg-Al layered double hydroxide.

    Science.gov (United States)

    Naik, Vikrant V; Chalasani, Rajesh; Vasudevan, S

    2011-03-15

    The structure and organization of dodecyl sulfate (DDS) surfactant chains intercalated in an Mg-Al layered double hydroxide (LDH), Mg(1-x)Alx(OH)2, with differing Al/Mg ratios has been investigated. The Mg-Al LDHs can be prepared over a range of compositions with x varying from 0.167 to 0.37 and therefore provides a simple system to study how the organization of the alkyl chains of the intercalated DDS anions change with packing density; the Al/Mg ratio or x providing a convenient handle to do so. Powder X-ray diffraction measurements showed that at high packing densities (x ≥ 0.3) the alkyl chains of the intercalated dodecyl sulfate ions are anchored on opposing LDH sheets and arranged as bilayers with an interlayer spacing of ∼27 Å. At lower packing densities (x flat in the galleries with an interlayer spacing of ∼8 Å. For the in between compositions, 0.2 ≤ x organization of the chains and the interlayer spacing. The simulations are able to reproduce the composition driven monolayer to bilayer transformation in the arrangement of the intercalated surfactant chains and in addition provide insights into the factors that decide the arrangement of the surfactant chains in the two situations. In the bilayer arrangement, it is the dispersive van der Waals interactions between chains in opposing layers of the anchored bilayer that is responsible for the cohesive energy of the solid whereas at lower packing densities, where a monolayer arrangement is favored, Coulomb interactions between the positively charged Mg-Al LDH sheets and the negatively charged headgroup of the DDS anion dominate.

  14. A drift-diffusion-reaction model for excitonic photovoltaic bilayers: Photovoltaic bilayers: Asymptotic analysis and a 2D hdg finite element scheme

    KAUST Repository

    Brinkman, Daniel

    2013-05-01

    We present and discuss a mathematical model for the operation of bilayer organic photovoltaic devices. Our model couples drift-diffusion-recombination equations for the charge carriers (specifically, electrons and holes) with a reaction-diffusion equation for the excitons/polaron pairs and Poisson\\'s equation for the self-consistent electrostatic potential. The material difference (i.e. the HOMO/LUMO gap) of the two organic substrates forming the bilayer device is included as a work-function potential. Firstly, we perform an asymptotic analysis of the scaled one-dimensional stationary state system: (i) with focus on the dynamics on the interface and (ii) with the goal of simplifying the bulk dynamics away from the interface. Secondly, we present a two-dimensional hybrid discontinuous Galerkin finite element numerical scheme which is very well suited to resolve: (i) the material changes, (ii) the resulting strong variation over the interface, and (iii) the necessary upwinding in the discretization of drift-diffusion equations. Finally, we compare the numerical results with the approximating asymptotics. © 2013 World Scientific Publishing Company.

  15. Phase Fluctuations and the Absence of Topological Defects in Photo-excited Charge Ordered Nickelate

    Energy Technology Data Exchange (ETDEWEB)

    Lee, W.S.; Chuang, Y.D.; Moore, R.G.; Zhu, Y.; Patthey, L.; Trigo, M.; Lu, D.H.; Kirchmann, P.S.; Krupin, O.; Yi, M.; Langner, M.; Huse, N.; Robinson, J.S.; Chen, Y.; Zhou, S.Y.; Coslovich, G.; Huber, B.; Reis, D.A.; Kaindl, R.A.; Schoenlein, R.W.; Doering, D.

    2012-05-15

    The dynamics of an order parameter's amplitude and phase determines the collective behaviour of novel states emerging in complex materials. Time- and momentum-resolved pump-probe spectroscopy, by virtue of measuring material properties at atomic and electronic time scales out of equilibrium, can decouple entangled degrees of freedom by visualizing their corresponding dynamics in the time domain. Here we combine time-resolved femotosecond optical and resonant X-ray diffraction measurements on charge ordered La{sub 1.75}Sr{sub 0.25}NiO{sub 4} to reveal unforeseen photoinduced phase fluctuations of the charge order parameter. Such fluctuations preserve long-range order without creating topological defects, distinct from thermal phase fluctuations near the critical temperature in equilibrium. Importantly, relaxation of the phase fluctuations is found to be an order of magnitude slower than that of the order parameter's amplitude fluctuations, and thus limits charge order recovery. This new aspect of phase fluctuations provides a more holistic view of the phase's importance in ordering phenomena of quantum matter.

  16. Fluctuating Charge-Order in Optimally Doped Bi- 2212 Revealed by Momentum-resolved Electron Energy Loss Spectroscopy

    Science.gov (United States)

    Husain, Ali; Vig, Sean; Kogar, Anshul; Mishra, Vivek; Rak, Melinda; Mitrano, Matteo; Johnson, Peter; Gu, Genda; Fradkin, Eduardo; Norman, Michael; Abbamonte, Peter

    Static charge order is a ubiquitous feature of the underdoped cuprates. However, at optimal doping, charge-order has been thought to be completely suppressed, suggesting an interplay between the charge-ordering and superconducting order parameters. Using Momentum-resolved Electron Energy Loss Spectroscopy (M-EELS) we show the existence of diffuse fluctuating charge-order in the optimally doped cuprate Bi2Sr2CaCu2O8+δ (Bi-2212) at low-temperature. We present full momentum-space maps of both elastic and inelastic scattering at room temperature and below the superconducting transition with 4meV resolution. We show that the ``rods'' of diffuse scattering indicate nematic-like fluctuations, and the energy width defines a fluctuation timescale of 160 fs. We discuss the implications of fluctuating charge-order on the dynamics at optimal doping. This work was supported by the Gordon and Betty Moore Foundation's EPiQS Initiative through Grant GBMF-4542. An early prototype of the M-EELS instrument was supported by the DOE Center for Emergent Superconductivity under Award No. DE-AC02-98CH10886.

  17. Preparation, electrochemical characterization and charge-discharge of reticulated vitreous carbon/polyaniline composite electrodes

    International Nuclear Information System (INIS)

    Dalmolin, Carla; Biaggio, Sonia R.; Rocha-Filho, Romeu C.; Bocchi, Nerilso

    2009-01-01

    Polyaniline was electrodeposited onto reticulated vitreous carbon - RVC - in order to obtain a tridimensional composite electrode. Three variations of these electrodes were analysed: a small-anion-doped polyaniline (RVC/Pani), a polyanion-doped polyaniline (RVC/PaniPSS) and a bi-layer type formed by an inner layer of the first electrode and an outer layer of the second one (RVC/Pani/PaniPSS). These composites were characterized by cyclic voltammetry, scanning electronic microscopy and electrochemical impedance spectroscopy. Photomicrographies, voltammetric profiles and impedance data pointed to different morphological and electrochemical characteristics for polyaniline doped with small or large anions, and a mixed behavior for the bi-layer electrodes. Charge-discharge tests for these tridimensional (3D) electrodes, employed as the cathode in lithium batteries, indicated better performance for the RVC/Pani electrode. These RVC composites presented higher specific capacities when compared with those obtained for Pani deposited onto bidimensional substrates.

  18. Charge-Orbital Ordering and Verwey Transition in Magnetite Measured by Resonant Soft X-Ray Scattering

    International Nuclear Information System (INIS)

    Huang, D.J.; Lin, H.-J.; Okamoto, J.; Hsu, C.-H.; Huang, C.-M.; Yang, C.S.; Chao, K.S.; Wu, W.B.; Jeng, H.-T.; Guo, G.Y.; Ling, D.C.; Chen, C.T.

    2006-01-01

    We report experimental evidence for the charge-orbital ordering in magnetite below the Verwey transition temperature T V . Measurements of O K-edge resonant x-ray scattering on magnetite reveal that the O 2p states in the vicinity of the Fermi level exhibit a charge-orbital ordering along the c axis with a spatial periodicity of the doubled lattice parameter of the undistorted cubic phase. Such a charge-orbital ordering vanishes abruptly above T V and exhibits a thermal hysteresis, correlating closely with the Verwey transition in magnetite

  19. Long-Lived Charge Separation at Heterojunctions between Semiconducting Single-Walled Carbon Nanotubes and Perylene Diimide Electron Acceptors

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Hyun Suk [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Arias, Dylan H [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Blackburn, Jeffrey L [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Sisto, Thomas J. [Columbia University; Peurifoy, Samuel [Columbia University; Zhang, Boyuan [Columbia University; Nuckolls, Colin [Columbia University

    2018-04-13

    Nonfullerene electron acceptors have facilitated a recent surge in the efficiencies of organic solar cells, although fundamental studies of the nature of exciton dissociation at interfaces with nonfullerene electron acceptors are still relatively sparse. Semiconducting single-walled carbon nanotubes (s-SWCNTs), unique one-dimensional electron donors with molecule-like absorption and highly mobile charges, provide a model system for studying interfacial exciton dissociation. Here, we investigate excited-state photodynamics at the heterojunction between (6,5) s-SWCNTs and two perylene diimide (PDI)-based electron acceptors. Each of the PDI-based acceptors, hPDI2-pyr-hPDI2 and Trip-hPDI2, is deposited onto (6,5) s-SWCNT films to form a heterojunction bilayer. Transient absorption measurements demonstrate that photoinduced hole/electron transfer occurs at the photoexcited bilayer interfaces, producing long-lived separated charges with lifetimes exceeding 1.0 us. Both exciton dissociation and charge recombination occur more slowly for the hPDI2-pyr-hPDI2 bilayer than for the Trip-hPDI2 bilayer. To explain such differences, we discuss the potential roles of the thermodynamic charge transfer driving force available at each interface and the different molecular structure and intermolecular interactions of PDI-based acceptors. Detailed photophysical analysis of these model systems can develop the fundamental understanding of exciton dissociation between organic electron donors and nonfullerene acceptors, which has not been systematically studied.

  20. Antimicrobial peptides at work: interaction of myxinidin and its mutant WMR with lipid bilayers mimicking the P. aeruginosa and E. coli membranes

    Science.gov (United States)

    Lombardi, Lucia; Stellato, Marco Ignazio; Oliva, Rosario; Falanga, Annarita; Galdiero, Massimiliano; Petraccone, Luigi; D'Errico, Geradino; de Santis, Augusta; Galdiero, Stefania; Del Vecchio, Pompea

    2017-03-01

    Antimicrobial peptides are promising candidates as future therapeutics in order to face the problem of antibiotic resistance caused by pathogenic bacteria. Myxinidin is a peptide derived from the hagfish mucus displaying activity against a broad range of bacteria. We have focused our studies on the physico-chemical characterization of the interaction of myxinidin and its mutant WMR, which contains a tryptophan residue at the N-terminus and four additional positive charges, with two model biological membranes (DOPE/DOPG 80/20 and DOPE/DOPG/CL 65/23/12), mimicking respectively Escherichia coli and Pseudomonas aeruginosa membrane bilayers. All our results have coherently shown that, although both myxinidin and WMR interact with the two membranes, their effect on membrane microstructure and stability are different. We further have shown that the presence of cardiolipin plays a key role in the WMR-membrane interaction. Particularly, WMR drastically perturbs the DOPE/DOPG/CL membrane stability inducing a segregation of anionic lipids. On the contrary, myxinidin is not able to significantly perturb the DOPE/DOPG/CL bilayer whereas interacts better with the DOPE/DOPG bilayer causing a significant perturbing effect of the lipid acyl chains. These findings are fully consistent with the reported greater antimicrobial activity of WMR against P. aeruginosa compared with myxinidin.

  1. Alcohol's Effects on Lipid Bilayer Properties

    Science.gov (United States)

    Ingólfsson, Helgi I.; Andersen, Olaf S.

    2011-01-01

    Alcohols are known modulators of lipid bilayer properties. Their biological effects have long been attributed to their bilayer-modifying effects, but alcohols can also alter protein function through direct protein interactions. This raises the question: Do alcohol's biological actions result predominantly from direct protein-alcohol interactions or from general changes in the membrane properties? The efficacy of alcohols of various chain lengths tends to exhibit a so-called cutoff effect (i.e., increasing potency with increased chain length, which that eventually levels off). The cutoff varies depending on the assay, and numerous mechanisms have been proposed such as: limited size of the alcohol-protein interaction site, limited alcohol solubility, and a chain-length-dependent lipid bilayer-alcohol interaction. To address these issues, we determined the bilayer-modifying potency of 27 aliphatic alcohols using a gramicidin-based fluorescence assay. All of the alcohols tested (with chain lengths of 1–16 carbons) alter the bilayer properties, as sensed by a bilayer-spanning channel. The bilayer-modifying potency of the short-chain alcohols scales linearly with their bilayer partitioning; the potency tapers off at higher chain lengths, and eventually changes sign for the longest-chain alcohols, demonstrating an alcohol cutoff effect in a system that has no alcohol-binding pocket. PMID:21843475

  2. Fragile charge order in the nonsuperconducting ground state of the underdoped high-temperature superconductors.

    Science.gov (United States)

    Tan, B S; Harrison, N; Zhu, Z; Balakirev, F; Ramshaw, B J; Srivastava, A; Sabok-Sayr, S A; Sabok, S A; Dabrowski, B; Lonzarich, G G; Sebastian, Suchitra E

    2015-08-04

    The normal state in the hole underdoped copper oxide superconductors has proven to be a source of mystery for decades. The measurement of a small Fermi surface by quantum oscillations on suppression of superconductivity by high applied magnetic fields, together with complementary spectroscopic measurements in the hole underdoped copper oxide superconductors, point to a nodal electron pocket from charge order in YBa2Cu3(6+δ). Here, we report quantum oscillation measurements in the closely related stoichiometric material YBa2Cu4O8, which reveals similar Fermi surface properties to YBa2Cu3(6+δ), despite the nonobservation of charge order signatures in the same spectroscopic techniques, such as X-ray diffraction, that revealed signatures of charge order in YBa2Cu3(6+δ). Fermi surface reconstruction in YBa2Cu4O8 is suggested to occur from magnetic field enhancement of charge order that is rendered fragile in zero magnetic fields because of its potential unconventional nature and/or its occurrence as a subsidiary to more robust underlying electronic correlations.

  3. TMD splitting functions in kT factorization. The real contribution to the gluon-to-gluon splitting

    International Nuclear Information System (INIS)

    Hentschinski, M.; Kusina, A.; Kutak, K.; Serino, M.

    2018-01-01

    We calculate the transverse momentum dependent gluon-to-gluon splitting function within k T -factorization, generalizing the framework employed in the calculation of the quark splitting functions in Hautmann et al. (Nucl Phys B 865:54-66, arXiv:1205.1759, 2012), Gituliar et al. (JHEP 01:181, arXiv:1511.08439, 2016), Hentschinski et al. (Phys Rev D 94(11):114013, arXiv:1607.01507, 2016) and demonstrate at the same time the consistency of the extended formalism with previous results. While existing versions of k T factorized evolution equations contain already a gluon-to-gluon splitting function i.e. the leading order Balitsky-Fadin-Kuraev-Lipatov (BFKL) kernel or the Ciafaloni-Catani-Fiorani-Marchesini (CCFM) kernel, the obtained splitting function has the important property that it reduces both to the leading order BFKL kernel in the high energy limit, to the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) gluon-to-gluon splitting function in the collinear limit as well as to the CCFM kernel in the soft limit. At the same time we demonstrate that this splitting kernel can be obtained from a direct calculation of the QCD Feynman diagrams, based on a combined implementation of the Curci-Furmanski-Petronzio formalism for the calculation of the collinear splitting functions and the framework of high energy factorization. (orig.)

  4. P3HT-graphene bilayer electrode for Schottky junction photodetectors

    Science.gov (United States)

    Aydın, H.; Kalkan, S. B.; Varlikli, C.; Çelebi, C.

    2018-04-01

    We have investigated the effect of a poly (3-hexylthiophene-2.5-diyl)(P3HT)-graphene bilayer electrode on the photoresponsivity characteristics of Si-based Schottky photodetectors. P3HT, which is known to be an electron donor and absorb light in the visible spectrum, was placed on CVD grown graphene by dip-coating method. The results of the UV-vis and Raman spectroscopy measurements have been evaluated to confirm the optical and electronic modification of graphene by the P3HT thin film. Current-voltage measurements of graphene/Si and P3HT-graphene/Si revealed rectification behavior confirming a Schottky junction formation at the graphene/Si interface. Time-resolved photocurrent spectroscopy measurements showed the devices had excellent durability and a fast response speed. We found that the maximum spectral photoresponsivity of the P3HT-graphene/Si photodetector increased more than three orders of magnitude compared to that of the bare graphene/Si photodetector. The observed increment in the photoresponsivity of the P3HT-graphene/Si samples was attributed to the charge transfer doping from P3HT to graphene within the spectral range between near-ultraviolet and near-infrared. Furthermore, the P3HT-graphene electrode was found to improve the specific detectivity and noise equivalent power of graphene/Si photodetectors. The obtained results showed that the P3HT-graphene bilayer electrodes significantly improved the photoresponsivity characteristics of our samples and thus can be used as a functional component in Si-based optoelectronic device applications.

  5. NNLO time-like splitting functions in QCD

    International Nuclear Information System (INIS)

    Moch, S.; Vogt, A.

    2008-07-01

    We review the status of the calculation of the time-like splitting functions for the evolution of fragmentation functions to the next-to-next-to-leading order in perturbative QCD. By employing relations between space-like and time-like deep-inelastic processes, all quark-quark and the gluon-gluon time-like splitting functions have been obtained to three loops. The corresponding quantities for the quark-gluon and gluon-quark splitting at this order are presently still unknown except for their second Mellin moments. (orig.)

  6. Exciton-dissociation and charge-recombination processes in pentacene/C60 solar cells: theoretical insight into the impact of interface geometry.

    Science.gov (United States)

    Yi, Yuanping; Coropceanu, Veaceslav; Brédas, Jean-Luc

    2009-11-04

    The exciton-dissociation and charge-recombination processes in organic solar cells based on pentacene/C(60) heterojunctions are investigated by means of quantum-mechanical calculations. The electronic couplings and the rates of exciton dissociation and charge recombination have been evaluated for several geometrical configurations of the pentacene/C(60) complex, which are relevant to bilayer and bulk heterojunctions. The results suggest that, irrespective of the actual pentacene-fullerene orientation, both pentacene-based and C(60)-based excitons are able to dissociate efficiently. Also, in the case of parallel configurations of the molecules at the pentacene/C(60) interface, the decay of the lowest charge-transfer state to the ground state is calculated to be very fast; as a result, it can compete with the dissociation process into mobile charge carriers. Since parallel configurations are expected to be found more frequently in bulk heterojunctions than in bilayer heterojunctions, the performance of pentacene/C(60) bulk-heterojunction solar cells is likely to be more affected by charge recombination than that of bilayer devices.

  7. Exciton-Dissociation and Charge-Recombination Processes in Pentacene/C 60 Solar Cells: Theoretical Insight into the Impact of Interface Geometry

    KAUST Repository

    Yi, Yuanping

    2009-11-04

    The exciton-dissociation and charge-recombination processes in organic solar cells based on pentacene/C60 heterojunctions are investigated by means of quantum-mechanical calculations. The electronic couplings and the rates of exciton dissociation and charge recombination have been evaluated for several geometrical configurations of the pentacene/C60 complex, which are relevant to bilayer and bulk heterojunctions. The results suggest that, irrespective of the actual pentacene-fullerene orientation, both pentacene-based and C60-based excitons are able to dissociate efficiently. Also, in the case of parallel configurations of the molecules at the pentacene/C60 interface, the decay of the lowest charge-transfer state to the ground state is calculated to be very fast; as a result, it can compete with the dissociation process into mobile charge carriers. Since parallel configurations are expected to be found more frequently in bulk heterojunctions than in bilayer heterojunctions, the performance of pentacene/C60 bulk-heterojunction solar cells is likely to be more affected by charge recombination than that of bilayer devices. © 2009 American Chemical Society.

  8. Charge ordering in Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3}: ESR and magnetometry study

    Energy Technology Data Exchange (ETDEWEB)

    Polishchuk, D.M.; Tovstolytkin, A.I. [Institute of Magnetism of NASU, 36b Vernadsky Boulevard, Kyiv 03680 (Ukraine); Fertman, E.L.; Desnenko, V.A.; Kravchyna, O. [B. Verkin Institute for Low Temperature Physics and Engineering of NASU, 47 Lenin Ave., Kharkov 61103 (Ukraine); Khalyavin, D.D. [ISIS Facility, STFC, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom); Salak, A.N. [Department of Materials and Ceramic Engineering/CICECO, University of Aveiro, Aveiro 3810-193 (Portugal); Anders, A.G. [V. N. Karazin Kharkiv National University, 4 Svobody sq., Kharkiv 61000 (Ukraine); Feher, A. [Institute of Physics, Faculty of Science, P. J. Šafárik University in Košice, Park Angelinum 9, Košice 04154 (Slovakia)

    2016-07-15

    The evolution of magnetic and electric properties of the narrow-band manganite Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3} was studied by the electron-spin resonance (ESR), static magnetic field (dc) and resistivity techniques in the temperature range of 100–380 K. It was found that below the charge ordering temperature, T{sub CO}≈212 K, the compound is a mixture of the charge ordered and charge disordered phases in varying proportions depending on the temperature. The exchange phase process, when the amount of the charge ordered phase increases under cooling, while the amount of the charge disordered phase decreases is the most intense between ∼220 K and 180 K. At low temperatures, T<160 K, the charge ordered to the charge disordered phase ratio is about 4:1, which is in excellent agreement with previous neutron diffraction data. Both a sharp decrease of the magnetic susceptibility and a huge resistivity increase are evident of the weakening of ferromagnetic correlations and suppression of the double exchange interaction across the charge ordering due to the localization of the charge carriers. - Highlights: • The electron spin resonance and magnetometry study of Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3} compound has been done. • Phase segregated state of the compound below the charge ordering temperature was revealed. • Charge ordered and charge disordered phases in varying proportions depending on the temperature are coexistent. • The exchange phase process is the most intense between ~220 K and 180 K. • At low temperatures the charge ordered to the charge disordered phase ratio is about 4:1.

  9. Potassium-doped n-type bilayer graphene

    Science.gov (United States)

    Yamada, Takatoshi; Okigawa, Yuki; Hasegawa, Masataka

    2018-01-01

    Potassium-doped n-type bilayer graphene was obtained. Chemical vapor deposited bilayer and single layer graphene on copper (Cu) foils were used. After etching of Cu foils, graphene was dipped in potassium hydroxide aqueous solutions to dope potassium. Graphene on silicon oxide was characterized by X-ray photoelectron spectroscopy (XPS), energy dispersive X-ray spectroscopy (EDX), and Raman spectroscopy. Both XPS and EDX spectra indicated potassium incorporation into the bilayer graphene via intercalation between the graphene sheets. The downward shift of the 2D peak position of bilayer graphene after the potassium hydroxide (KOH) treatment was confirmed in Raman spectra, indicating that the KOH-treated bilayer graphene was doped with electrons. Electrical properties were measured using Hall bar structures. The Dirac points of bilayer graphene were shifted from positive to negative by the KOH treatment, indicating that the KOH-treated bilayer graphene was n-type conduction. For single layer graphene after the KOH treatment, although electron doping was confirmed from Raman spectra, the peak of potassium in the X-ray photoelectron spectroscopy (XPS) spectrum was not detected. The Dirac points of single layer graphene with and without the KOH treatment showed positive.

  10. Electrically Controllable Magnetism in Twisted Bilayer Graphene.

    Science.gov (United States)

    Gonzalez-Arraga, Luis A; Lado, J L; Guinea, Francisco; San-Jose, Pablo

    2017-09-08

    Twisted graphene bilayers develop highly localized states around AA-stacked regions for small twist angles. We show that interaction effects may induce either an antiferromagnetic or a ferromagnetic (FM) polarization of said regions, depending on the electrical bias between layers. Remarkably, FM-polarized AA regions under bias develop spiral magnetic ordering, with a relative 120° misalignment between neighboring regions due to a frustrated antiferromagnetic exchange. This remarkable spiral magnetism emerges naturally without the need of spin-orbit coupling, and competes with the more conventional lattice-antiferromagnetic instability, which interestingly develops at smaller bias under weaker interactions than in monolayer graphene, due to Fermi velocity suppression. This rich and electrically controllable magnetism could turn twisted bilayer graphene into an ideal system to study frustrated magnetism in two dimensions.

  11. Weak second-order splitting schemes for Lagrangian Monte Carlo particle methods for the composition PDF/FDF transport equations

    International Nuclear Information System (INIS)

    Wang Haifeng; Popov, Pavel P.; Pope, Stephen B.

    2010-01-01

    We study a class of methods for the numerical solution of the system of stochastic differential equations (SDEs) that arises in the modeling of turbulent combustion, specifically in the Monte Carlo particle method for the solution of the model equations for the composition probability density function (PDF) and the filtered density function (FDF). This system consists of an SDE for particle position and a random differential equation for particle composition. The numerical methods considered advance the solution in time with (weak) second-order accuracy with respect to the time step size. The four primary contributions of the paper are: (i) establishing that the coefficients in the particle equations can be frozen at the mid-time (while preserving second-order accuracy), (ii) examining the performance of three existing schemes for integrating the SDEs, (iii) developing and evaluating different splitting schemes (which treat particle motion, reaction and mixing on different sub-steps), and (iv) developing the method of manufactured solutions (MMS) to assess the convergence of Monte Carlo particle methods. Tests using MMS confirm the second-order accuracy of the schemes. In general, the use of frozen coefficients reduces the numerical errors. Otherwise no significant differences are observed in the performance of the different SDE schemes and splitting schemes.

  12. Charge ordering phenomena and superconductivity in underdoped cuprates

    Energy Technology Data Exchange (ETDEWEB)

    Tassini, Leonardo [Bayerische Akademie der Wissenschaften, Muenchen (Germany). Lehrstuhl E23 fuer Technische Physik

    2008-01-16

    In this thesis electronic properties of two prototypical copper-oxygen superconductors were studied with Raman scattering. The underdoped regime including the onset point of superconductivity p{sub sc1} was investigated. Evidence of quasi one-dimensional (1D) dynamical stripes was found. The 1D structures have a universal preferential orientation along the diagonals of the CuO{sub 2} planes below p{sub sc1}. At p{sub sc1}, lattice and electron dynamics change discontinuously. The results show that charge ordering drives the transition at p{sub sc1} and that the maximal transition temperature to superconductivity at optimal doping T{sub c}{sup MAX} depends on the type of ordering at p{sub sc1}. (orig.)

  13. Charge/orbital ordering structure in ordered perovskite Sm sub 1 sub / sub 2 Ba sub 1 sub / sub 2 MnO sub 3

    CERN Document Server

    Uchida, M; Akahoshi, D; Kumai, R; Tomioka, Y; Tokura, Y; Arima, T H

    2002-01-01

    In an A-site ordered perovskite manganite Sm sub 1 sub / sub 2 Ba sub 1 sub / sub 2 MnO sub 3 , a new charge/orbital ordering pattern was found at room temperature. Electron diffraction studies revealed a series of superlattice reflections with modulation vectors at q sub 2 =(1/2, 1/2, 1/2) as well as at q sub 1 =(1/4, 1/4, 0) in the tetragonal setting (a sub p x a sub p x 2a sub p , a sub p being the cubic perovskite lattice parameter). Together with the results of the resonant X-ray scattering and the charge-transport and magnetization measurements, a new model for the three-dimensional charge/orbital ordering in the ordered perovskite is proposed. (author)

  14. Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling

    Energy Technology Data Exchange (ETDEWEB)

    Pera, H.; Kleijn, J. M.; Leermakers, F. A. M., E-mail: Frans.leermakers@wur.nl [Laboratory of Physical Chemistry and Colloid Science, Wageningen University, Dreijenplein 6, 6307 HB Wageningen (Netherlands)

    2014-02-14

    To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k{sub c} and k{sup ¯} and the preferred monolayer curvature J{sub 0}{sup m}, and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k{sub c} and the area compression modulus k{sub A} are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k{sup ¯} and J{sub 0}{sup m} can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k{sup ¯} and J{sub 0}{sup m} change sign with relevant parameter changes. Although typically k{sup ¯}<0, membranes can form stable cubic phases when the Gaussian bending modulus becomes positive, which occurs with membranes composed of PC lipids with long tails. Similarly, negative monolayer curvatures appear when a small head group such as PE is combined with long lipid tails, which hints towards the stability of inverse hexagonal phases at the cost of the bilayer topology. To prevent the destabilisation of bilayers, PG lipids can be mixed into these PC or PE lipid membranes. Progressive loading of bilayers with PG lipids lead to highly charged membranes, resulting in J{sub 0}{sup m}≫0, especially at low ionic

  15. Highly sensitive and selective room-temperature NO_2 gas sensor based on bilayer transferred chemical vapor deposited graphene

    International Nuclear Information System (INIS)

    Seekaew, Yotsarayuth; Phokharatkul, Ditsayut; Wisitsoraat, Anurat; Wongchoosuk, Chatchawal

    2017-01-01

    Highlights: • Simple and low-cost fabrication of bilayer graphene gas sensor was presented. • Layer effects of graphene on NO_2 gas-sensing properties were investigated. • Bilayer graphene sensor exhibited a high linear NO_2 sensitivity of 1.409 ppm"−"1. • The NO_2-sensing mechanisms based on band diagram were highlighted. - Abstract: This work presents a highly sensitive room-temperature gas sensor based on bilayer graphene fabricated by an interfacial transfer of chemical vapor deposited graphene onto nickel interdigitated electrodes. Scanning electron microscopic and Raman spectroscopic characterizations confirm the presence of graphene on interdigitated nickel electrodes with varying numbers of graphene layers. The NO_2 detection performances of bilayer graphene gas sensor have been investigated in comparison with those of monolayer and multilayer graphene gas sensors at room temperature. From results, the bilayer graphene gas sensor exhibits higher response, sensitivity and selectivity to NO_2 than monolayer and multilayer graphene. The sensitivity of bilayer graphene gas sensor is 1.409 ppm"−"1 towards NO_2 over a concentration range of 1–25 ppm, which is more than twice higher than that of monolayer graphene. The NO_2-sensing mechanism of graphene sensing film has been explained based on the direct charge transfer process due to the adsorption of NO_2 molecules.

  16. A Molecular Dynamics Study of the Structural and Dynamical Properties of Putative Arsenic Substituted Lipid Bilayers

    Directory of Open Access Journals (Sweden)

    Ratna Juwita

    2013-04-01

    Full Text Available Cell membranes are composed mainly of phospholipids which are in turn, composed of five major chemical elements: carbon, hydrogen, nitrogen, oxygen, and phosphorus. Recent studies have suggested the possibility of sustaining life if the phosphorus is substituted by arsenic. Although this issue is still controversial, it is of interest to investigate the properties of arsenated-lipid bilayers to evaluate this possibility. In this study, we simulated arsenated-lipid, 1-palmitoyl-2-oleoyl-sn-glycero-3-arsenocholine (POAC, lipid bilayers using all-atom molecular dynamics to understand basic structural and dynamical properties, in particular, the differences from analogous 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, (POPC lipid bilayers. Our simulations showed that POAC lipid bilayers have distinct structural and dynamical properties from those of native POPC lipid bilayers. Relative to POPC lipid bilayers, POAC lipid bilayers have a more compact structure with smaller lateral areas and greater order. The compact structure of POAC lipid bilayers is due to the fact that more inter-lipid salt bridges are formed with arsenate-choline compared to the phosphate-choline of POPC lipid bilayers. These inter-lipid salt bridges bind POAC lipids together and also slow down the head group rotation and lateral diffusion of POAC lipids. Thus, it would be anticipated that POAC and POPC lipid bilayers would have different biological implications.

  17. Electronic properties of graphene-based bilayer systems

    Energy Technology Data Exchange (ETDEWEB)

    Rozhkov, A.V., E-mail: arozhkov@gmail.com [CEMS, RIKEN, Saitama 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, 141700 (Russian Federation); Sboychakov, A.O. [CEMS, RIKEN, Saitama 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Rakhmanov, A.L. [CEMS, RIKEN, Saitama 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, 141700 (Russian Federation); All-Russia Research Institute of Automatics, Moscow, 127055 (Russian Federation); Nori, Franco, E-mail: fnori@riken.jp [CEMS, RIKEN, Saitama 351-0198 (Japan); Physics Department, The University of Michigan, Ann Arbor, MI 48109-1040 (United States)

    2016-08-23

    This article reviews the theoretical and experimental work related to the electronic properties of bilayer graphene systems. Three types of bilayer stackings are discussed: the AA, AB, and twisted bilayer graphene. This review covers single-electron properties, effects of static electric and magnetic fields, bilayer-based mesoscopic systems, spin–orbit coupling, dc transport and optical response, as well as spontaneous symmetry violation and other interaction effects. The selection of the material aims to introduce the reader to the most commonly studied topics of theoretical and experimental research in bilayer graphene.

  18. Ordered materials for organic electronics and photonics.

    Science.gov (United States)

    O'Neill, Mary; Kelly, Stephen M

    2011-02-01

    We present a critical review of semiconducting/light emitting, liquid crystalline materials and their use in electronic and photonic devices such as transistors, photovoltaics, OLEDs and lasers. We report that annealing from the mesophase improves the order and packing of organic semiconductors to produce state-of-the-art transistors. We discuss theoretical models which predict how charge transport and light emission is affected by the liquid crystalline phase. Organic photovoltaics and OLEDs require optimization of both charge transport and optical properties and we identify the various trade-offs involved for ordered materials. We report the crosslinking of reactive mesogens to give pixellated full-colour OLEDs and distributed bi-layer photovoltaics. We show how the molecular organization inherent to the mesophase can control the polarization of light-emitting devices and the gain in organic, thin-film lasers and can also provide distributed feedback in chiral nematic mirrorless lasers. We update progress on the surface alignment of liquid crystalline semiconductors to obtain monodomain devices without defects or devices with spatially varying properties. Finally the significance of all of these developments is assessed. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. A novel hierarchical ZnO disordered/ordered bilayer nanostructured film for dye sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Yamin, E-mail: yaminfengccnuphy@outlook.com; Wu, Fei; Jiang, Jian; Zhu, Jianhui; Fodjouong, Ghislain Joel; Meng, Gaoxiang; Xing, Yanmin; Wang, Wenwu; Huang, Xintang, E-mail: xthuang@phy.ccnu.edu.cn

    2013-12-25

    Graphical abstract: A novel hierarchical disordered/ordered bilayer ZnO nanostructured film in the length of 18 μm have been successfully synthesized on the FTO substrate; the hierarchical ZnO nanostructured film electrodes applied in DSSCs exhibit photoelectric conversion efficiency as high as 5.16%. Highlights: •A novel hierarchical ZnO structure film was fabricated on a FTO substrate. •Hierarchical ZnO film is applied as the electrodes for dye sensitized solar cells. •The film possess high specific surface area and fast electron transport effect. •The light-scattering effect of the hierarchical film is pronounced. •The energy conversion efficiency of hierarchical ZnO electrode reaches to 5.16%. -- Abstract: A novel hierarchical ZnO nanostructured film is synthesized via a chemical bath deposition (CBD) method followed by a treatment of thermal decomposition onto a fluorine-doped tin oxide (FTO) substrate. This hierarchical film is composed of disordered ZnO nanorods (NRs) (top layer) and ordered ZnO nanowires (NWs) (bottom layer). The products possess the following features such as high specific surface area, fast electron transport, and pronounced light-scattering effect, which are quite suitable for dye sensitized solar cells (DSSCs) applications. A light-to-electricity conversion efficiency of 5.16% is achieved when the hierarchical ZnO nanostructured film is used as the photoanode under 100 mW cm{sup −2} illumination. This efficiency is found to be much higher than that of the DSSCs with pure ordered ZnO NWs (1.45%) and disordered ZnO NRs (3.31%) photoanodes.

  20. A novel hierarchical ZnO disordered/ordered bilayer nanostructured film for dye sensitized solar cells

    International Nuclear Information System (INIS)

    Feng, Yamin; Wu, Fei; Jiang, Jian; Zhu, Jianhui; Fodjouong, Ghislain Joel; Meng, Gaoxiang; Xing, Yanmin; Wang, Wenwu; Huang, Xintang

    2013-01-01

    Graphical abstract: A novel hierarchical disordered/ordered bilayer ZnO nanostructured film in the length of 18 μm have been successfully synthesized on the FTO substrate; the hierarchical ZnO nanostructured film electrodes applied in DSSCs exhibit photoelectric conversion efficiency as high as 5.16%. Highlights: •A novel hierarchical ZnO structure film was fabricated on a FTO substrate. •Hierarchical ZnO film is applied as the electrodes for dye sensitized solar cells. •The film possess high specific surface area and fast electron transport effect. •The light-scattering effect of the hierarchical film is pronounced. •The energy conversion efficiency of hierarchical ZnO electrode reaches to 5.16%. -- Abstract: A novel hierarchical ZnO nanostructured film is synthesized via a chemical bath deposition (CBD) method followed by a treatment of thermal decomposition onto a fluorine-doped tin oxide (FTO) substrate. This hierarchical film is composed of disordered ZnO nanorods (NRs) (top layer) and ordered ZnO nanowires (NWs) (bottom layer). The products possess the following features such as high specific surface area, fast electron transport, and pronounced light-scattering effect, which are quite suitable for dye sensitized solar cells (DSSCs) applications. A light-to-electricity conversion efficiency of 5.16% is achieved when the hierarchical ZnO nanostructured film is used as the photoanode under 100 mW cm −2 illumination. This efficiency is found to be much higher than that of the DSSCs with pure ordered ZnO NWs (1.45%) and disordered ZnO NRs (3.31%) photoanodes

  1. Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes

    International Nuclear Information System (INIS)

    Rønnest, A. K.; Peters, G. H.; Hansen, F. Y.; Taub, H.; Miskowiec, A.

    2016-01-01

    Molecular dynamics simulations have been used to investigate the influence of the valency of counter-ions on the structure of freestanding bilayer membranes of the anionic 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG) lipid at 310 K and 1 atm. At this temperature, the membrane is in the fluid phase with a monovalent counter-ion and in the gel phase with a divalent counter-ion. The diffusion constant of water as a function of its depth in the membrane has been determined from mean-square-displacement calculations. Also, calculated incoherent quasielastic neutron scattering functions have been compared to experimental results and used to determine an average diffusion constant for all water molecules in the system. On extrapolating the diffusion constants inferred experimentally to a temperature of 310 K, reasonable agreement with the simulations is obtained. However, the experiments do not have the sensitivity to confirm the diffusion of a small component of water bound to the lipids as found in the simulations. In addition, the orientation of the dipole moment of the water molecules has been determined as a function of their depth in the membrane. Previous indirect estimates of the electrostatic potential within phospholipid membranes imply an enormous electric field of 10 8 –10 9 V m −1 , which is likely to have great significance in controlling the conformation of translocating membrane proteins and in the transfer of ions and molecules across the membrane. We have calculated the membrane potential for DMPG bilayers and found ∼1 V (∼2 ⋅ 10 8 V m −1 ) when in the fluid phase with a monovalent counter-ion and ∼1.4 V (∼2.8 ⋅ 10 8 V m −1 ) when in the gel phase with a divalent counter-ion. The number of water molecules for a fully hydrated DMPG membrane has been estimated to be 9.7 molecules per lipid in the gel phase and 17.5 molecules in the fluid phase, considerably smaller than inferred experimentally for 1,2-dimyristoyl-sn-glycero-3

  2. Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes

    Energy Technology Data Exchange (ETDEWEB)

    Rønnest, A. K.; Peters, G. H.; Hansen, F. Y., E-mail: flemming@kemi.dtu.dk [Department of Chemistry, Technical University of Denmark, IK 207 DTU, DK-2800 Lyngby (Denmark); Taub, H.; Miskowiec, A. [Department of Physics and Astronomy and the University of Missouri Research Reactor,University of Missouri, Columbia, Missouri 65211 (United States)

    2016-04-14

    Molecular dynamics simulations have been used to investigate the influence of the valency of counter-ions on the structure of freestanding bilayer membranes of the anionic 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG) lipid at 310 K and 1 atm. At this temperature, the membrane is in the fluid phase with a monovalent counter-ion and in the gel phase with a divalent counter-ion. The diffusion constant of water as a function of its depth in the membrane has been determined from mean-square-displacement calculations. Also, calculated incoherent quasielastic neutron scattering functions have been compared to experimental results and used to determine an average diffusion constant for all water molecules in the system. On extrapolating the diffusion constants inferred experimentally to a temperature of 310 K, reasonable agreement with the simulations is obtained. However, the experiments do not have the sensitivity to confirm the diffusion of a small component of water bound to the lipids as found in the simulations. In addition, the orientation of the dipole moment of the water molecules has been determined as a function of their depth in the membrane. Previous indirect estimates of the electrostatic potential within phospholipid membranes imply an enormous electric field of 10{sup 8}–10{sup 9} V m{sup −1}, which is likely to have great significance in controlling the conformation of translocating membrane proteins and in the transfer of ions and molecules across the membrane. We have calculated the membrane potential for DMPG bilayers and found ∼1 V (∼2 ⋅ 10{sup 8} V m{sup −1}) when in the fluid phase with a monovalent counter-ion and ∼1.4 V (∼2.8 ⋅ 10{sup 8} V m{sup −1}) when in the gel phase with a divalent counter-ion. The number of water molecules for a fully hydrated DMPG membrane has been estimated to be 9.7 molecules per lipid in the gel phase and 17.5 molecules in the fluid phase, considerably smaller than inferred experimentally for 1

  3. On the relation between Jahn-Teller ordering and charge ordering

    International Nuclear Information System (INIS)

    Eijndhoven, J.C.M van.

    1978-01-01

    This thesis compares the structures of KCusup(II)F 3 and Cs 2 Ausup(I)Ausup(III)Cl 6 . Both compounds have a structure that can be thought to result from a deformation of the cubic perovskite structure. The deformation of KCusup(II)F 3 is a result of a cooperative Jahn-Teller effect and the deformation of Cs 2 Ausup(I)Ausup(III)Cl 6 results in two sublattices. The structures of both compounds result from a continuous phase transition from the cubic pervskite structure due to a deformation of symmetry. Using local coordinates and a calculation of the electron-lattice interaction in a static approximation, four structure types were derived. One is the structure of Cs 2 AuAuCl 6 at ambient temperature and pressure and the second contains a group of structures corresponding to the structures found for KCuF 3 . The third structure type was recently suggested for Cs 2 AuAuCl 6 under pressure and the fourth has not been found experimentally. Two types show a Jahn-Teller ordering and the other two charge ordering (Auth./C.F.)

  4. Two-loop mass splittings in electroweak multiplets: Winos and minimal dark matter

    Science.gov (United States)

    McKay, James; Scott, Pat

    2018-03-01

    The radiatively-induced splitting of masses in electroweak multiplets is relevant for both collider phenomenology and dark matter. Precision two-loop corrections of O (MeV ) to the triplet mass splitting in the wino limit of the minimal supersymmetric standard model can affect particle lifetimes by up to 40%. We improve on previous two-loop self-energy calculations for the wino model by obtaining consistent input parameters to the calculation via two-loop renormalization-group running, and including the effect of finite light quark masses. We also present the first two-loop calculation of the mass splitting in an electroweak fermionic quintuplet, corresponding to the viable form of minimal dark matter (MDM). We place significant constraints on the lifetimes of the charged and doubly-charged fermions in this model. We find that the two-loop mass splittings in the MDM quintuplet are not constant in the large-mass limit, as might naively be expected from the triplet calculation. This is due to the influence of the additional heavy fermions in loop corrections to the gauge boson propagators.

  5. Phase fluctuations and the absence of topological defects in a photo-excited charge-ordered nickelate

    Energy Technology Data Exchange (ETDEWEB)

    Lee, W. S.; Chuang, Y. D.; Moore, R. G.; Zhu, Y.; Patthey, L.; Trigo, M.; Lu, D. H.; Kirchmann, P. S.; Krupin, O.; Yi, M.; Langner, M.; Huse, N.; Robinson, J. S.; Chen, Y.; Zhou, S. Y.; Coslovich, G.; Huber, B.; Reis, D. A.; Kaindl, R. A.; Schoenlein, R. W.; Doering, D.; Denes, P.; Schlotter, W. F.; Turner, J. J.; Johnson, S. L.; Först, M.; Sasagawa, T.; Kung, Y. F.; Sorini, A. P.; Kemper, A. F.; Moritz, B.; Devereaux, T. P.; Lee, D. -H.; Shen, Z. X.; Hussain, Z.

    2012-05-15

    The dynamics of an order parameter's amplitude and phase determines the collective behaviour of novel states emerging in complex materials. Time- and momentum-resolved pump-probe spectroscopy, by virtue of measuring material properties at atomic and electronic time scales out of equilibrium, can decouple entangled degrees of freedom by visualizing their corresponding dynamics in the time domain. Here we combine time-resolved femotosecond optical and resonant X-ray diffraction measurements on charge ordered La1.75Sr0.25NiO4 to reveal unforeseen photoinduced phase fluctuations of the charge order parameter. Such fluctuations preserve long-range order without creating topological defects, distinct from thermal phase fluctuations near the critical temperature in equilibrium. Importantly, relaxation of the phase fluctuations is found to be an order of magnitude slower than that of the order parameter's amplitude fluctuations, and thus limits charge order recovery. This new aspect of phase fluctuations provides a more holistic view of the phase's importance in ordering phenomena of quantum matter.

  6. First and second order operator splitting methods for the phase field crystal equation

    International Nuclear Information System (INIS)

    Lee, Hyun Geun; Shin, Jaemin; Lee, June-Yub

    2015-01-01

    In this paper, we present operator splitting methods for solving the phase field crystal equation which is a model for the microstructural evolution of two-phase systems on atomic length and diffusive time scales. A core idea of the methods is to decompose the original equation into linear and nonlinear subequations, in which the linear subequation has a closed-form solution in the Fourier space. We apply a nonlinear Newton-type iterative method to solve the nonlinear subequation at the implicit time level and thus a considerably large time step can be used. By combining these subequations, we achieve the first- and second-order accuracy in time. We present numerical experiments to show the accuracy and efficiency of the proposed methods

  7. GPR Raw-Data Order Statistic Filtering and Split-Spectrum Processing to Detect Moisture

    Directory of Open Access Journals (Sweden)

    Gokhan Kilic

    2014-05-01

    Full Text Available Considerable research into the area of bridge health monitoring has been undertaken; however, information is still lacking on the effects of certain defects, such as moisture ingress, on the results of ground penetrating radar (GPR surveying. In this paper, this issue will be addressed by examining the results of a GPR bridge survey, specifically the effect of moisture in the predicted position of the rebars. It was found that moisture ingress alters the radargram to indicate distortion or skewing of the steel reinforcements, when in fact destructive testing was able to confirm that no such distortion or skewing had occurred. Additionally, split-spectrum processing with order statistic filters was utilized to detect moisture ingress from the GPR raw data.

  8. Gate-controlled tunneling of quantum Hall edge states in bilayer graphene

    Science.gov (United States)

    Zhu, Jun; Li, Jing; Wen, Hua

    Controlled tunneling of integer and fractional quantum Hall edge states provides a powerful tool to probe the physics of 1D systems and exotic particle statistics. Experiments in GaAs 2DEGs employ either a quantum point contact or a line junction tunnel barrier. It is generally difficult to independently control the filling factors νL and νR on the two sides of the barrier. Here we show that in bilayer graphene both νL and νR as well as their Landau level structures can be independently controlled using a dual-split-gate structure. In addition, the height of the line-junction tunnel barrier implemented in our experiments is tunable via a 5th gate. By measuring the tunneling resistance across the junction RT we examine the equilibration of the edge states in a variety of νL/νR scenarios and under different barrier heights. Edge states from both sides are fully mixed in the case of a low barrier. As the barrier height increases, we observe plateaus in RT that correspond to sequential complete backscattering of edge states. Gate-controlled manipulation of edge states offers a new angle to the exploration of quantum Hall magnetism and fractional quantum Hall effect in bilayer graphene.

  9. First principle DFT study of electric field effects on the characteristics of bilayer graphene

    Energy Technology Data Exchange (ETDEWEB)

    Sabzyan, Hassan; Sadeghpour, Narges [Isfahan Univ. (Iran, Islamic Republic of). Dept. of Chemistry

    2017-04-01

    First principle density functional theory methods, local density and Perdew-Burke-Ernzerhof generalized gradient approximations with Goedecker pseudopotential (LDA-G and PBE-G), are used to study the electric field effects on the binding energy and atomic charges of bilayer graphene (BLG) at the Γ point of the Brillouin zone based on two types of unit cells (α and β) containing n{sub C}=8-32 carbon atoms. Results show that application of electric fields of 4-24 V/nm strengths reduces the binding energies and induces charge transfer between the two layers. The transferred charge increases almost linearly with the strength of the electric field for all sizes of the two types of unit cells. Furthermore, the charge transfer calculated with the α-type unit cells is more sensitive to the electric field strength. The calculated field-dependent contour plots of the differential charge densities of the two layers show details of charge density redistribution under the influence of the electric field.

  10. Additive operator-difference schemes splitting schemes

    CERN Document Server

    Vabishchevich, Petr N

    2013-01-01

    Applied mathematical modeling isconcerned with solving unsteady problems. This bookshows how toconstruct additive difference schemes to solve approximately unsteady multi-dimensional problems for PDEs. Two classes of schemes are highlighted: methods of splitting with respect to spatial variables (alternating direction methods) and schemes of splitting into physical processes. Also regionally additive schemes (domain decomposition methods)and unconditionally stable additive schemes of multi-component splitting are considered for evolutionary equations of first and second order as well as for sy

  11. Highly sensitive and selective room-temperature NO{sub 2} gas sensor based on bilayer transferred chemical vapor deposited graphene

    Energy Technology Data Exchange (ETDEWEB)

    Seekaew, Yotsarayuth [Department of Physics, Faculty of Science, Kasetsart University, Chatuchak, Bangkok 10900 (Thailand); Phokharatkul, Ditsayut; Wisitsoraat, Anurat [Nanoelectronics and MEMS Laboratory, National Electronics and Computer Technology Center, Klong Luang, Pathumthani 12120 (Thailand); Wongchoosuk, Chatchawal, E-mail: chatchawal.w@ku.ac.th [Department of Physics, Faculty of Science, Kasetsart University, Chatuchak, Bangkok 10900 (Thailand)

    2017-05-15

    Highlights: • Simple and low-cost fabrication of bilayer graphene gas sensor was presented. • Layer effects of graphene on NO{sub 2} gas-sensing properties were investigated. • Bilayer graphene sensor exhibited a high linear NO{sub 2} sensitivity of 1.409 ppm{sup −1}. • The NO{sub 2}-sensing mechanisms based on band diagram were highlighted. - Abstract: This work presents a highly sensitive room-temperature gas sensor based on bilayer graphene fabricated by an interfacial transfer of chemical vapor deposited graphene onto nickel interdigitated electrodes. Scanning electron microscopic and Raman spectroscopic characterizations confirm the presence of graphene on interdigitated nickel electrodes with varying numbers of graphene layers. The NO{sub 2} detection performances of bilayer graphene gas sensor have been investigated in comparison with those of monolayer and multilayer graphene gas sensors at room temperature. From results, the bilayer graphene gas sensor exhibits higher response, sensitivity and selectivity to NO{sub 2} than monolayer and multilayer graphene. The sensitivity of bilayer graphene gas sensor is 1.409 ppm{sup −1} towards NO{sub 2} over a concentration range of 1–25 ppm, which is more than twice higher than that of monolayer graphene. The NO{sub 2}-sensing mechanism of graphene sensing film has been explained based on the direct charge transfer process due to the adsorption of NO{sub 2} molecules.

  12. Assessment of pseudo-bilayer structures in the heterogate germanium electron-hole bilayer tunnel field-effect transistor

    International Nuclear Information System (INIS)

    Padilla, J. L.; Alper, C.; Ionescu, A. M.; Medina-Bailón, C.; Gámiz, F.

    2015-01-01

    We investigate the effect of pseudo-bilayer configurations at low operating voltages (≤0.5 V) in the heterogate germanium electron-hole bilayer tunnel field-effect transistor (HG-EHBTFET) compared to the traditional bilayer structures of EHBTFETs arising from semiclassical simulations where the inversion layers for electrons and holes featured very symmetric profiles with similar concentration levels at the ON-state. Pseudo-bilayer layouts are attained by inducing a certain asymmetry between the top and the bottom gates so that even though the hole inversion layer is formed at the bottom of the channel, the top gate voltage remains below the required value to trigger the formation of the inversion layer for electrons. Resulting benefits from this setup are improved electrostatic control on the channel, enhanced gate-to-gate efficiency, and higher I ON levels. Furthermore, pseudo-bilayer configurations alleviate the difficulties derived from confining very high opposite carrier concentrations in very thin structures

  13. Assessment of pseudo-bilayer structures in the heterogate germanium electron-hole bilayer tunnel field-effect transistor

    Energy Technology Data Exchange (ETDEWEB)

    Padilla, J. L., E-mail: jose.padilladelatorre@epfl.ch; Alper, C.; Ionescu, A. M. [Nanoelectronic Devices Laboratory, École Polytechnique Fédérale de Lausanne, Lausanne CH-1015 (Switzerland); Medina-Bailón, C.; Gámiz, F. [Departamento de Electrónica y Tecnología de los Computadores, Universidad de Granada, Avda. Fuentenueva s/n, 18071 Granada (Spain)

    2015-06-29

    We investigate the effect of pseudo-bilayer configurations at low operating voltages (≤0.5 V) in the heterogate germanium electron-hole bilayer tunnel field-effect transistor (HG-EHBTFET) compared to the traditional bilayer structures of EHBTFETs arising from semiclassical simulations where the inversion layers for electrons and holes featured very symmetric profiles with similar concentration levels at the ON-state. Pseudo-bilayer layouts are attained by inducing a certain asymmetry between the top and the bottom gates so that even though the hole inversion layer is formed at the bottom of the channel, the top gate voltage remains below the required value to trigger the formation of the inversion layer for electrons. Resulting benefits from this setup are improved electrostatic control on the channel, enhanced gate-to-gate efficiency, and higher I{sub ON} levels. Furthermore, pseudo-bilayer configurations alleviate the difficulties derived from confining very high opposite carrier concentrations in very thin structures.

  14. Stacking stability of MoS2 bilayer: An ab initio study

    International Nuclear Information System (INIS)

    Tao Peng; Guo Huai-Hong; Yang Teng; Zhang Zhi-Dong

    2014-01-01

    The study of the stacking stability of bilayer MoS 2 is essential since a bilayer has exhibited advantages over single layer MoS 2 in many aspects for nanoelectronic applications. We explored the relative stability, optimal sliding path between different stacking orders of bilayer MoS 2 , and (especially) the effect of inter-layer stress, by combining first-principles density functional total energy calculations and the climbing-image nudge-elastic-band (CI-NEB) method. Among five typical stacking orders, which can be categorized into two kinds (I: AA, AB and II: AA', AB', A'B), we found that stacking orders with Mo and S superposing from both layers, such as AA' and AB, is more stable than the others. With smaller computational efforts than potential energy profile searching, we can study the effect of inter-layer stress on the stacking stability. Under isobaric condition, the sliding barrier increases by a few eV/(ucGPa) from AA' to AB', compared to 0.1 eV/(ucGPa) from AB to [AB]. Moreover, we found that interlayer compressive stress can help enhance the transport properties of AA'. This study can help understand why inter-layer stress by dielectric gating materials can be an effective means to improving MoS 2 on nanoelectronic applications. (condensed matter: structural, mechanical, and thermal properties)

  15. Surface and grain boundary interdiffusion in nanometer-scale LSMO/BFO bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Virendra [Department of Physics, National Institute of Technology, Kurukshetra 136119 (India); Gaur, Anurag, E-mail: anuragdph@gmail.com [Department of Physics, National Institute of Technology, Kurukshetra 136119 (India); Choudhary, R.J.; Gupta, Mukul [UGC-DAE Consortium for Scientific Research, Indore 452 001 (India)

    2016-05-01

    Epitaxial 150 nm thick LSMO/BFO bilayer is deposited on STO (100) substrate by pulsed laser deposition, to study magnetoelectric effect. Unexpected low value of room temperature magnetization in bilayer indicates towards the possibility of interdiffusion. Further, sharp fall in the value of T{sub C} (53 K) also added our anxiety towards possible interdiffusion in BFO/LSMO system. Low-angle x-ray diffraction technique is used to investigate interdiffusion phenomena, and the temperature-dependent interdiffusivity is obtained by accurately monitoring the decay of the first-order modulation peak as a function of annealing time. It has been found that the diffusivity at different temperatures follows Arrhenius-type behavior. X-ray reflection (XRR) pattern obtained for the bilayer could not be fitted in the Parratt’s formalism, which confirms the interdiffusion in it. Depth profiles of {sup 209}Bi, {sup 56}Fe ions measured by secondary ion mass spectroscope (SIMS) further substantiate the diffusion of these ions from upper BFO layer into lower LSMO layer. - Highlights: • The LSMO/BFO bilayer is deposited by PLD method. • Structural, magnetic and interfacial properties of deposited films were studied. • In this article, we have raised the problem of interdiffusion in this bilayer, which can hinder its application in devices. Therefore, we feel that our article presents important finding in the area of ceramics research.

  16. Nanoscale Cross-Point Resistive Switching Memory Comprising p-Type SnO Bilayers

    KAUST Repository

    Hota, Mrinal Kanti

    2015-02-23

    Reproducible low-voltage bipolar resistive switching is reported in bilayer structures of p-type SnO films. Specifically, a bilayer homojunction comprising SnOx (oxygen-rich) and SnOy (oxygen-deficient) in nanoscale cross-point (300 × 300 nm2) architecture with self-compliance effect is demonstrated. By using two layers of SnO film, a good memory performance is obtained as compared to the individual oxide films. The memory devices show resistance ratio of 103 between the high resistance and low resistance states, and this difference can be maintained for up to 180 cycles. The devices also show good retention characteristics, where no significant degradation is observed for more than 103 s. Different charge transport mechanisms are found in both resistance states, depending on the applied voltage range and its polarity. The resistive switching is shown to originate from the oxygen ion migration and subsequent formation/rupture of conducting filaments.

  17. Solid oxide fuel cells with bi-layered electrolyte structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xinge; Robertson, Mark; Deces-Petit, Cyrille; Xie, Yongsong; Hui, Rob; Qu, Wei; Kesler, Olivera; Maric, Radenka; Ghosh, Dave [Institute for Fuel Cell Innovation, National Research Council Canada, 4250 Wesbrook Mall, Vancouver, B.C. V6T 1W5 (Canada)

    2008-01-10

    In this work, we have developed solid oxide fuel cells with a bi-layered electrolyte of 2 {mu}m SSZ and 4 {mu}m SDC using tape casting, screen printing, and co-firing processes. The cell reached power densities of 0.54 W cm{sup -2} at 650 C and 0.85 W cm{sup -2} at 700 C, with open circuit voltage (OCV) values larger than 1.02 V. The electrical leaking between anode and cathode through an SDC electrolyte has been blocked in the bi-layered electrolyte structure. However, both the electrolyte resistance (R{sub el}) and electrode polarization resistance (R{sub p,a+c}) increased in comparison to cells with single-layered SDC electrolytes. The formation of a solid solution of (Ce, Zr)O{sub 2-x} during sintering process and the flaws in the bi-layered electrolyte structure seem to be the main causes for the increase in the R{sub el} value (0.32 {omega} cm{sup 2}) at 650 C, which is almost one order of magnitude higher than the calculated value. (author)

  18. Electrostatic charging and control of droplets in microfluidic devices.

    Science.gov (United States)

    Zhou, Hongbo; Yao, Shuhuai

    2013-03-07

    Precharged droplets can facilitate manipulation and control of low-volume liquids in droplet-based microfluidics. In this paper, we demonstrate non-contact electrostatic charging of droplets by polarizing a neutral droplet and splitting it into two oppositely charged daughter droplets in a T-junction microchannel. We performed numerical simulation to analyze the non-contact charging process and proposed a new design with a notch at the T-junction in aid of droplet splitting for more efficient charging. We experimentally characterized the induced charge in droplets in microfabricated devices. The experimental results agreed well with the simulation. Finally, we demonstrated highly effective droplet manipulation in a path selection unit appending to the droplet charging. We expect our work could enable precision manipulation of droplets for more complex liquid handling in microfluidics and promote electric-force based manipulation in 'lab-on-a-chip' systems.

  19. Positron study of negative charge states in order-disorder ferroelectrics

    Energy Technology Data Exchange (ETDEWEB)

    Troev, T.; Berovsky, K.; Peneva, S. [Bulgarian Academy of Sciences, Sofia (Bulgaria). Inst. for Nuclear Research and Nuclear Energy

    2001-07-01

    The positive positron charge opens the possibility for determining the changes in charge states in technologically important order-disorder ferroelectrics. Here we show that dipole polarization disordering within domains affects the positron annihilation mechanism. The positron lifetime parameters in triglycine sulphate (TGS) (NH{sub 3}CH{sub 2}COOH){sub 3}H{sub 2}SO{sub 4}, Rochelle salt (RS) NaKC{sub 4}H{sub 4}O{sub 6}.4H{sub 2}O and Potassium dihydrogen phosphate (KDP) KH{sub 2}PO{sub 4}, at different temperatures and gamma-irradiation doses depend on the charge point defects. The increase of the positron long lifetime component {tau}{sub 2} is proportional to the temperature and gamma-irradiation dose. In gamma irradiated TGS positrons are trapped in defect electron states of oxigen ions of two radicals CH{sub 2}COO{sup -} and NH{sub 3}CHCOO{sup -}. In RS positrons are trapped also in defect electron states of oxygen ions and OH groups. (orig.)

  20. Molecular packing and area compressibility of lipid bilayers

    International Nuclear Information System (INIS)

    White, S.H.; King, G.I.

    1985-01-01

    Knowledge of the molecular packing of lipids and water in lipid bilayers is important for understanding bilayer mechanics and thermodynamics. Information on packing is most often obtained from x-ray or neutron diffraction measurements. Given the d spacing, composition, and partial specific volumes of the lipid and water, it is a simple matter to calculate the area per lipid molecule, bilayer thickness, and bilayer mass density. The partial specific volumes are commonly assumed to be those of bulk water and of lipid in excess water regardless of the degree of bilayer hydration. The authors present evidence here that these assumptions should be seriously questioned. At low hydrations, they find the head groups of egg and dioleoyl lecithin to be much less tightly packed than previously thought and the partial specific volume of water to be considerably smaller than 1 ml/g. Because the molecular packing affects the mechanical properties of bilayers, they use the results to reevaluate published experiments concerning the elastic area compressibility modulus of egg lecithin bilayers and the repulsive hydration force between bilayers

  1. 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.

  2. Higher-order geodesic deviation for charged particles and resonance induced by gravitational waves

    Science.gov (United States)

    Heydari-Fard, M.; Hasani, S. N.

    We generalize the higher-order geodesic deviation for the structure-less test particles to the higher-order geodesic deviation equations of the charged particles [R. Kerner, J. W. van Holten and R. Colistete Jr., Class. Quantum Grav. 18 (2001) 4725]. By solving these equations for charged particles moving in a constant magnetic field in the spacetime of a gravitational wave, we show for both cases when the gravitational wave is parallel and perpendicular to the constant magnetic field, a magnetic resonance appears at wg = Ω. This feature might be useful to detect the gravitational wave with high frequencies.

  3. Analytical model for the photocurrent-voltage characteristics of bilayer MEH-PPV/TiO2 photovoltaic devices

    Directory of Open Access Journals (Sweden)

    Chen Chong

    2011-01-01

    Full Text Available Abstract The photocurrent in bilayer polymer photovoltaic cells is dominated by the exciton dissociation efficiency at donor/acceptor interface. An analytical model is developed for the photocurrent-voltage characteristics of the bilayer polymer/TiO2 photovoltaic cells. The model gives an analytical expression for the exciton dissociation efficiency at the interface, and explains the dependence of the photocurrent of the devices on the internal electric field, the polymer and TiO2 layer thicknesses. Bilayer polymer/TiO2 cells consisting of poly[2-methoxy-5-(2-ethylhexyloxy-1,4-phenylenevinylene] (MEH-PPV and TiO2, with different thicknesses of the polymer and TiO2 films, were prepared for experimental purposes. The experimental results for the prepared bilayer MEH-PPV/TiO2 cells under different conditions are satisfactorily fitted to the model. Results show that increasing TiO2 or the polymer layer in thickness will reduce the exciton dissociation efficiency in the device and further the photocurrent. It is found that the photocurrent is determined by the competition between the exciton dissociation and charge recombination at the donor/acceptor interface, and the increase in photocurrent under a higher incident light intensity is due to the increased exciton density rather than the increase in the exciton dissociation efficiency.

  4. Effect of interlayer tunneling on the electronic structure of bilayer cuprates and quantum phase transitions in carrier concentration and high magnetic field

    International Nuclear Information System (INIS)

    Ovchinnikov, S. G.; Makarov, I. A.; Shneyder, E. I.

    2011-01-01

    We present a theoretical study of the electronic structure of bilayer HTSC cuprates and its evolution under doping and in a high magnetic field. Analysis is based on the t-t′-t″-J* model in the generalized Hartree-Fock approximation. Possibility of tunneling between CuO2 layers is taken into account in the form of a nonzero integral of hopping between the orbitals of adjacent planes and is included in the scheme of the cluster form of perturbation theory. The main effect of the coupling between two CuO 2 layers in a unit cell is the bilayer splitting manifested in the presence of antibonding and bonding bands formed by a combination of identical bands of the layers themselves. A change in the doping level induces reconstruction of the band structure and the Fermi surface, which gives rise to a number of quantum phase transitions. A high external magnetic field leads to a fundamentally different form of electronic structure. Quantum phase transitions in the field are observed not only under doping, but also upon a variation of the field magnitude. Because of tunneling between the layers, quantum transitions are also split; as a result, a more complex sequence of the Lifshitz transitions than in single-layer structures is observed.

  5. Ordering variable for parton showers

    Energy Technology Data Exchange (ETDEWEB)

    Nagy, Zoltan [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Soper, Davison E. [Oregon Univ., Eugene, OR (United States). Inst. of Theoretical Science

    2014-01-15

    The parton splittings in a parton shower are ordered according to an ordering variable, for example the transverse momentum of the daughter partons relative to the direction of the mother, the virtuality of the splitting, or the angle between the daughter partons. We analyze the choice of the ordering variable and conclude that one particular choice has the advantage of factoring softer splittings from harder splittings graph by graph in a physical gauge.

  6. Ordering variable for parton showers

    Energy Technology Data Exchange (ETDEWEB)

    Nagy, Zoltán [DESY,Notkestrasse 85, 22607 Hamburg (Germany); Soper, Davison E. [Institute of Theoretical Science, University of Oregon,Eugene, OR 97403-5203 (United States)

    2014-06-30

    The parton splittings in a parton shower are ordered according to an ordering variable, for example the transverse momentum of the daughter partons relative to the direction of the mother, the virtuality of the splitting, or the angle between the daughter partons. We analyze the choice of the ordering variable and conclude that one particular choice has the advantage of factoring softer splittings from harder splittings graph by graph in a physical gauge.

  7. Ordering variable for parton showers

    International Nuclear Information System (INIS)

    Nagy, Zoltan; Soper, Davison E.

    2014-01-01

    The parton splittings in a parton shower are ordered according to an ordering variable, for example the transverse momentum of the daughter partons relative to the direction of the mother, the virtuality of the splitting, or the angle between the daughter partons. We analyze the choice of the ordering variable and conclude that one particular choice has the advantage of factoring softer splittings from harder splittings graph by graph in a physical gauge.

  8. Statistical identification with hidden Markov models of large order splitting strategies in an equity market

    Science.gov (United States)

    Vaglica, Gabriella; Lillo, Fabrizio; Mantegna, Rosario N.

    2010-07-01

    Large trades in a financial market are usually split into smaller parts and traded incrementally over extended periods of time. We address these large trades as hidden orders. In order to identify and characterize hidden orders, we fit hidden Markov models to the time series of the sign of the tick-by-tick inventory variation of market members of the Spanish Stock Exchange. Our methodology probabilistically detects trading sequences, which are characterized by a significant majority of buy or sell transactions. We interpret these patches of sequential buying or selling transactions as proxies of the traded hidden orders. We find that the time, volume and number of transaction size distributions of these patches are fat tailed. Long patches are characterized by a large fraction of market orders and a low participation rate, while short patches have a large fraction of limit orders and a high participation rate. We observe the existence of a buy-sell asymmetry in the number, average length, average fraction of market orders and average participation rate of the detected patches. The detected asymmetry is clearly dependent on the local market trend. We also compare the hidden Markov model patches with those obtained with the segmentation method used in Vaglica et al (2008 Phys. Rev. E 77 036110), and we conclude that the former ones can be interpreted as a partition of the latter ones.

  9. Strain-induced recovery of electronic anisotropy in 90°-twisted bilayer phosphorene

    Science.gov (United States)

    Xie, Jiafeng; Luo, Qiangjun; Jia, Lei; Zhang, Z. Y.; Shi, H. G.; Yang, D. Z.; Si, M. S.

    2018-01-01

    It is well known that anisotropy determines the preferred transport direction of carriers. To manipulate the anisotropy is an exciting topic in two-dimensional materials, where the carriers are confined within individual layers. In this work, it is found that uniaxial strain can tune the electronic anisotropy of the 90°-twisted bilayer phosphorene. In this unique bilayer structure, the zigzag direction of one layer corresponds to the armchair one of the other layer and vice versa. Owing to this complementary structure, the directional (zigzag or armchair) deformation response to strain of one layer is opposite to that of the other layer, where the in-plane positive Poisson's ratio plays a key role. As a result, the doubly degenerate highest valence bands split, followed by a recovery of anisotropy. More interestingly, such an anisotropy, namely, the ratio of the effective mass along the Γ \\text- X direction to that along the Γ \\text- Y direction, reaches as high as 6 under a small strain of 1%, and keeps nearly unchanged up to a strain of 3%. In addition, high anisotropy only holds for hole carriers as the conduction band is insensitive to strain. These findings should shed new light on the design of semiconducting devices, where the hole acts as the transport carrier.

  10. Cholesterol Perturbs Lipid Bilayers Nonuniversally

    International Nuclear Information System (INIS)

    Pan Jianjun; Mills, Thalia T.; Tristram-Nagle, Stephanie; Nagle, John F.

    2008-01-01

    Cholesterol is well known to modulate the physical properties of biomembranes. Using modern x-ray scattering methods, we have studied the effects of cholesterol on the bending modulus K C , the thickness D HH , and the orientational order parameter S xray of lipid bilayers. We find that the effects are different for at least three classes of phospholipids characterized by different numbers of saturated hydrocarbon chains. Most strikingly, cholesterol strongly increases K C when both chains of the phospholipid are fully saturated but not at all when there are two monounsaturated chains

  11. Diffusion and drift of charges in semiconductor detectors

    International Nuclear Information System (INIS)

    Meidinger, N.

    1991-01-01

    For this analysis, a fully depleteable pn-CCD (a novel, energy and local resolution semiconductor using the drift chamber principle) has been tested for verification at different temperatures, photon energies, and drift times, including theoretical calculations. Experimental results are in good agreement with calculated data, and deviations (≤11%) have been understood to an extent that proposals can be made for improving the accuracy. Charge splitting has been found to be reduced in the case of reduced charge collecting areas, i.e. for example at lower temperatures, or with shorter drift times. This effect is also reduced in the case of larger charge collecting areas (pixels). With the given topology of the cell structure, the charge splitting can be much more strongly suppressed as compared to other X-ray CCD design types. (orig.) [de

  12. Establishing exchange bias below T-N with polycrystalline Ni0.52Co0.48O/Co bilayers

    DEFF Research Database (Denmark)

    Berkowitz, A.E.; Hansen, Mikkel Fougt; Tang, Y.J.

    2005-01-01

    Exchange-coupled bilayers of polycrystalline ferromagnetic (FM) Co on antiferromagnetic (AFM) Ni0.52Co0.48O were investigated with emphasis on the issue of establishing an exchange-bias field, H-E, below the AFM ordering temperature, T-N. It was found that field-cooling the bilayers through T-N p...

  13. Theoretical Study of the Charge-Transfer State Separation within Marcus Theory

    DEFF Research Database (Denmark)

    Volpi, Riccardo; Nassau, Racine; Nørby, Morten Steen

    2016-01-01

    We study, within Marcus theory, the possibility of the charge-transfer (CT) state splitting at organic interfaces and a subsequent transport of the free charge carriers to the electrodes. As a case study we analyze model anthracene-C60 interfaces. Kinetic Monte Carlo (KMC) simulations on the cold...... CT state were performed at a range of applied electric fields, and with the fields applied at a range of angles to the interface to simulate the action of the electric field in a bulk heterojunction (BHJ) interface. The results show that the inclusion of polarization in our model increases CT state...... dissociation and charge collection. The effect of the electric field on CT state splitting and free charge carrier conduction is analyzed in detail with and without polarization. Also, depending on the relative orientation of the anthracene and C60 molecules at the interface, CT state splitting shows different...

  14. Kohn-Luttinger superconductivity in monolayer and bilayer semimetals with the Dirac spectrum

    International Nuclear Information System (INIS)

    Kagan, M. Yu.; Mitskan, V. A.; Korovushkin, M. M.

    2014-01-01

    The effect of Coulomb interaction in an ensemble of Dirac fermions on the formation of superconducting pairing in monolayer and bilayer doped graphene is studied using the Kohn-Luttinger mechanism disregarding the Van der Waals potential of the substrate and impurities. The electronic structure of graphene is described using the Shubin-Vonsovsky model taking into account the intratomic, interatomic, and interlayer (in the case of bilayer graphene) Coulomb interactions between electrons. The Cooper instability is determined by solving the Bethe-Saltpeter integral equation. The renormalized scattering amplitude is obtained with allowance for the Kohn-Luttinger polarization contributions up to the second order of perturbation theory in the Coulomb interaction. It plays the role of effective interaction in the Bethe-Salpeter integral equation. It is shown that the allowance for the Kohn-Luttinger renormalizations as well as intersite Coulomb interaction noticeably affects the competition between the superconducting phases with the f-wave and d + id-wave symmetries of the order parameter. It is demonstrated that the superconducting transition temperature for an idealized graphene bilayer with significant interlayer Coulomb interaction between electrons is noticeably higher than in the monolayer case

  15. Hematite/silver nanoparticle bilayers on mica--AFM, SEM and streaming potential studies.

    Science.gov (United States)

    Morga, Maria; Adamczyk, Zbigniew; Oćwieja, Magdalena; Bielańska, Elżbieta

    2014-06-15

    Bilayers of hematite/silver nanoparticles were obtained in the self-assembly process and thoroughly characterized using scanning electron microscopy (SEM), atomic force microscopy (AFM), and in situ streaming potential measurements. The hematite nanoparticles, forming a supporting layer, were 22 nm in diameter, exhibiting an isoelectric point at pH 8.9. The silver nanoparticles, used to obtain an external layer, were 29 nm in diameter, and remained negative within the pH range 3 to 11. In order to investigate the particle deposition, mica sheets were used as a model solid substrate. The coverage of the supporting layer was adjusted by changing the bulk concentration of the hematite suspension and the deposition time. Afterward, silver nanoparticle monolayers of controlled coverage were deposited under the diffusion-controlled transport. The coverage of bilayers was determined by a direct enumeration of deposited particles from SEM micrographs and AFM images. Additionally, the formation of the hematite/silver bilayers was investigated by streaming potential measurements carried out under in situ conditions. The effect of the mica substrate and the coverage of a supporting layer on the zeta potential of bilayers was systematically studied. It was established that for the coverage exceeding 0.20, the zeta potential of bilayers was independent on the substrate and the supporting layer coverage. This behavior was theoretically interpreted in terms of the 3D electrokinetic model. Beside significance for basic sciences, these measurements allowed to develop a robust method of preparing nanoparticle bilayers of controlled properties, having potential applications in catalytic processes. Copyright © 2014 Elsevier Inc. All rights reserved.

  16. Edge states in gated bilayer-monolayer graphene ribbons and bilayer domain walls

    Science.gov (United States)

    Mirzakhani, M.; Zarenia, M.; Peeters, F. M.

    2018-05-01

    Using the effective continuum model, the electron energy spectrum of gated bilayer graphene with a step-like region of decoupled graphene layers at the edge of the sample is studied. Different types of coupled-decoupled interfaces are considered, i.e., zigzag (ZZ) and armchair junctions, which result in significant different propagating states. Two non-valley-polarized conducting edge states are observed for ZZ type, which are mainly located around the ZZ-ended graphene layers. Additionally, we investigated both BA-BA and BA-AB domain walls in the gated bilayer graphene within the continuum approximation. Unlike the BA-BA domain wall, which exhibits gapped insulating behaviour, the domain walls surrounded by different stackings of bilayer regions feature valley-polarized edge states. Our findings are consistent with other theoretical calculations, such as from the tight-binding model and first-principles calculations, and agree with experimental observations.

  17. Interaction of dendritic cells with antigen-containing liposomes: effect of bilayer composition

    DEFF Research Database (Denmark)

    Foged, Camilla; Arigita, Carmen; Sundblad, Anne

    2004-01-01

    the interaction of negatively charged liposomes with both human and murine DCs. This increase could be blocked in human DCs by addition of the polysaccharide mannan indicating that uptake might be mediated by the mannose receptor. Cationic liposomes containing trimethyl ammonium propane interacted with a very...... high percentage of both DC types and could be detected in high amounts intracellularly. In conclusion, liposome bilayer composition has an important effect on interaction with DCs and might be critical for the vaccination outcome....

  18. Development of Bilayer Tablets with Modified Release of Selected Incompatible Drugs.

    Science.gov (United States)

    Dhiman, Neha; Awasthi, Rajendra; Jindal, Shammy; Khatri, Smriti; Dua, Kamal

    2016-01-01

    The oral route is considered to be the most convenient and commonly-employed route for drug delivery. When two incompatible drugs need to be administered at the same time and in a single formulation, bilayer tablets are the most appropriate dosage form to administer such incompatible drugs in a single dose. The aim of the present investigation was to develop bilayered tablets of two incompatible drugs; telmisartan and simvastatin. The bilayer tablets were prepared containing telmisartan in a conventional release layer using croscarmellose sodium as a super disintegrant and simvastatin in a slow-release layer using HPMC K15M, Carbopol 934P and PVP K 30 as matrix forming polymers. The tablets were evaluated for various physical properties, drug-excipient interactions using FTIR spectroscopy and in vitro drug release using 0.1M HCl (pH 1.2) for the first hour and phosphate buffer (pH 6.8) for the remaining period of time. The release kinetics of simvastatin from the slow release layer were evaluated using the zero order, first order, Higuchi equation and Peppas equation. All the physical parameters (such as hardness, thickness, disintegration, friability and layer separation tests) were found to be satisfactory. The FTIR studies indicated the absence of interactions between the components within the individual layers, suggesting drug-excipient compatibility in all the formulations. No drug release from the slow-release layer was observed during the first hour of the dissolution study in 0.1M HCl. The release-controlling polymers had a significant effect on the release of simvastatin from the slow-release layer. Thus, the formulated bilayer tablets avoided incompatibility issues and proved the conventional release of telmisartan (85% in 45 min) and slow release of simvastatin (80% in 8 h). Stable and compatible bilayer tablets containing telmisartan and simvastatin were developed with better patient compliance as an alternative to existing conventional dosage forms.

  19. Reactions of radicals with lecithin bilayers

    International Nuclear Information System (INIS)

    Barber, D.J.W.; Thomas, J.K.

    1978-01-01

    The kinetics of reaction of .OH and e/sub aq/ - with lecithin bilayers have been measured. The rate for .OH + lecithin is 5.1 +- 0.9 x 10 8 M -1 sec -1 while the e/sub aq/ - + lecithin rate is very slow. When a solute such as pyrene is solubilized in the bilayer, .OH and e/sub aq/ - may react with the solute; rates of 1.65 +- 0.12 x 10 9 M -1 sec -1 and 7 x 10 7 M -1 sec -1 have been measured for reaction of .OH and e/sub aq/ - , respectively, with pyrene in lecithin. These rates are lower than those observed for similar reactions in homogeneous systems. This is explained in terms of (a) the protective effect of the bilayer, this being especially true for e/sub aq/ - which does not readily leave the aqueous phase, and (b) in terms of the restricted diffusion imposed on the reactive species by the bilayer. The kinetics in these model systems are relevant to reactions of radicals with membranes. Long-term alteration in the model membrane following .OH attack is manifested in terms of damage to the head group, increasing water penetration of the bilayer, and of cross-linking with the membrane, thereby restricting motion in the interior of the bilayer. Increased rigidity and leakiness of membranes is an expected consequence of radiation damage

  20. Mechanical properties of electrospun bilayer fibrous membranes as potential scaffolds for tissue engineering.

    Science.gov (United States)

    Pu, Juan; Komvopoulos, Kyriakos

    2014-06-01

    Bilayer fibrous membranes of poly(l-lactic acid) (PLLA) were fabricated by electrospinning, using a parallel-disk mandrel configuration that resulted in the sequential deposition of a layer with fibers aligned across the two parallel disks and a layer with randomly oriented fibers, both layers deposited in a single process step. Membrane structure and fiber alignment were characterized by scanning electron microscopy and two-dimensional fast Fourier transform. Because of the intricacies of the generated electric field, bilayer membranes exhibited higher porosity than single-layer membranes consisting of randomly oriented fibers fabricated with a solid-drum collector. However, despite their higher porosity, bilayer membranes demonstrated generally higher elastic modulus, yield strength and toughness than single-layer membranes with random fibers. Bilayer membrane deformation at relatively high strain rates comprised multiple abrupt microfracture events characterized by discontinuous fiber breakage. Bilayer membrane elongation yielded excessive necking of the layer with random fibers and remarkable fiber stretching (on the order of 400%) in the layer with fibers aligned in the stress direction. In addition, fibers in both layers exhibited multiple localized necking, attributed to the nonuniform distribution of crystalline phases in the fibrillar structure. The high membrane porosity, good mechanical properties, and good biocompatibility and biodegradability of PLLA (demonstrated in previous studies) make the present bilayer membranes good scaffold candidates for a wide range of tissue engineering applications. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  1. Measurement of the azimuthal ordering of charged hadrons with the ATLAS detector

    CERN Document Server

    Aad, Georges; Abdallah, Jalal; Abdelalim, Ahmed Ali; Abdesselam, Abdelouahab; Abdinov, Ovsat; Abi, Babak; Abolins, Maris; AbouZeid, Ossama; Abramowicz, Halina; Abreu, Henso; Acerbi, Emilio; Acharya, Bobby Samir; Adamczyk, Leszek; Adams, David; Addy, Tetteh; Adelman, Jahred; Aderholz, Michael; Adomeit, Stefanie; Adragna, Paolo; Adye, Tim; Aefsky, Scott; Aguilar-Saavedra, Juan Antonio; Aharrouche, Mohamed; Ahlen, Steven; Ahles, Florian; Ahmad, Ashfaq; Ahsan, Mahsana; Aielli, Giulio; Akdogan, Taylan; Åkesson, Torsten Paul Ake; Akimoto, Ginga; Akimov, Andrei; Akiyama, Kunihiro; Alam, Mohammad; Alam, Muhammad Aftab; Albert, Justin; Albrand, Solveig; Aleksa, Martin; Aleksandrov, Igor; Alessandria, Franco; Alexa, Calin; Alexander, Gideon; Alexandre, Gauthier; Alexopoulos, Theodoros; Alhroob, Muhammad; Aliev, Malik; Alimonti, Gianluca; Alison, John; Aliyev, Magsud; Allport, Phillip; Allwood-Spiers, Sarah; Almond, John; Aloisio, Alberto; Alon, Raz; Alonso, Alejandro; Alvarez Gonzalez, Barbara; Alviggi, Mariagrazia; Amako, Katsuya; Amaral, Pedro; Amelung, Christoph; Ammosov, Vladimir; Amorim, Antonio; Amorós, Gabriel; Amram, Nir; Anastopoulos, Christos; Ancu, Lucian Stefan; Andari, Nansi; Andeen, Timothy; Anders, Christoph Falk; Anders, Gabriel; Anderson, Kelby; Andreazza, Attilio; Andrei, George Victor; Andrieux, Marie-Laure; Anduaga, Xabier; Angerami, Aaron; Anghinolfi, Francis; Anisenkov, Alexey; Anjos, Nuno; Annovi, Alberto; Antonaki, Ariadni; Antonelli, Mario; Antonov, Alexey; Antos, Jaroslav; Anulli, Fabio; Aoun, Sahar; Aperio Bella, Ludovica; Apolle, Rudi; Arabidze, Giorgi; Aracena, Ignacio; Arai, Yasuo; Arce, Ayana; Archambault, John-Paul; Arfaoui, Samir; Arguin, Jean-Francois; Arik, Engin; Arik, Metin; Armbruster, Aaron James; Arnaez, Olivier; Arnault, Christian; Artamonov, Andrei; Artoni, Giacomo; Arutinov, David; Asai, Shoji; Asfandiyarov, Ruslan; Ask, Stefan; Åsman, Barbro; Asquith, Lily; Assamagan, Ketevi; Astbury, Alan; Astvatsatourov, Anatoli; Aubert, Bernard; Auge, Etienne; Augsten, Kamil; Aurousseau, Mathieu; Avolio, Giuseppe; Avramidou, Rachel Maria; Axen, David; Ay, Cano; Azuelos, Georges; Azuma, Yuya; Baak, Max; Baccaglioni, Giuseppe; Bacci, Cesare; Bach, Andre; Bachacou, Henri; Bachas, Konstantinos; Bachy, Gerard; Backes, Moritz; Backhaus, Malte; Badescu, Elisabeta; Bagnaia, Paolo; Bahinipati, Seema; Bai, Yu; Bailey, David; Bain, Travis; Baines, John; Baker, Oliver Keith; Baker, Mark; Baker, Sarah; Banas, Elzbieta; Banerjee, Piyali; Banerjee, Swagato; Banfi, Danilo; Bangert, Andrea Michelle; Bansal, Vikas; Bansil, Hardeep Singh; Barak, Liron; Baranov, Sergei; Barashkou, Andrei; Barbaro Galtieri, Angela; Barber, Tom; Barberio, Elisabetta Luigia; Barberis, Dario; Barbero, Marlon; Bardin, Dmitri; Barillari, Teresa; Barisonzi, Marcello; Barklow, Timothy; Barlow, Nick; Barnett, Bruce; Barnett, Michael; Baroncelli, Antonio; Barone, Gaetano; Barr, Alan; Barreiro, Fernando; Barreiro Guimarães da Costa, João; Barrillon, Pierre; Bartoldus, Rainer; Barton, Adam Edward; Bartsch, Valeria; Bates, Richard; Batkova, Lucia; Batley, Richard; Battaglia, Andreas; Battistin, Michele; Bauer, Florian; Bawa, Harinder Singh; Beale, Steven; Beare, Brian; Beau, Tristan; Beauchemin, Pierre-Hugues; Beccherle, Roberto; Bechtle, Philip; Beck, Hans Peter; Becker, Sebastian; Beckingham, Matthew; Becks, Karl-Heinz; Beddall, Andrew; Beddall, Ayda; Bedikian, Sourpouhi; Bednyakov, Vadim; Bee, Christopher; Begel, Michael; Behar Harpaz, Silvia; Behera, Prafulla; Beimforde, Michael; Belanger-Champagne, Camille; Bell, Paul; Bell, William; Bella, Gideon; Bellagamba, Lorenzo; Bellina, Francesco; Bellomo, Massimiliano; Belloni, Alberto; Beloborodova, Olga; Belotskiy, Konstantin; Beltramello, Olga; Ben Ami, Sagi; Benary, Odette; Benchekroun, Driss; Benchouk, Chafik; Bendel, Markus; Benekos, Nektarios; Benhammou, Yan; Benhar Noccioli, Eleonora; Benitez Garcia, Jorge-Armando; Benjamin, Douglas; Benoit, Mathieu; Bensinger, James; Benslama, Kamal; Bentvelsen, Stan; Berge, David; Bergeaas Kuutmann, Elin; Berger, Nicolas; Berghaus, Frank; Berglund, Elina; Beringer, Jürg; Bernat, Pauline; Bernhard, Ralf; Bernius, Catrin; Berry, Tracey; Bertella, Claudia; Bertin, Antonio; Bertinelli, Francesco; Bertolucci, Federico; Besana, Maria Ilaria; Besson, Nathalie; Bethke, Siegfried; Bhimji, Wahid; Bianchi, Riccardo-Maria; Bianco, Michele; Biebel, Otmar; Bieniek, Stephen Paul; Bierwagen, Katharina; Biesiada, Jed; Biglietti, Michela; Bilokon, Halina; Bindi, Marcello; Binet, Sebastien; Bingul, Ahmet; Bini, Cesare; Biscarat, Catherine; Bitenc, Urban; Black, Kevin; Blair, Robert; Blanchard, Jean-Baptiste; Blanchot, Georges; Blazek, Tomas; Blocker, Craig; Blocki, Jacek; Blondel, Alain; Blum, Walter; Blumenschein, Ulrike; Bobbink, Gerjan; Bobrovnikov, Victor; Bocchetta, Simona Serena; Bocci, Andrea; Boddy, Christopher Richard; Boehler, Michael; Boek, Jennifer; Boelaert, Nele; Böser, Sebastian; Bogaerts, Joannes Andreas; Bogdanchikov, Alexander; Bogouch, Andrei; Bohm, Christian; Boisvert, Veronique; Bold, Tomasz; Boldea, Venera; Bolnet, Nayanka Myriam; Bona, Marcella; Bondarenko, Valery; Bondioli, Mario; Boonekamp, Maarten; Boorman, Gary; Booth, Chris; Bordoni, Stefania; Borer, Claudia; Borisov, Anatoly; Borissov, Guennadi; Borjanovic, Iris; Borroni, Sara; Bos, Kors; Boscherini, Davide; Bosman, Martine; Boterenbrood, Hendrik; Botterill, David; Bouchami, Jihene; Boudreau, Joseph; Bouhova-Thacker, Evelina Vassileva; Boumediene, Djamel Eddine; Bourdarios, Claire; Bousson, Nicolas; Boveia, Antonio; Boyd, James; Boyko, Igor; Bozhko, Nikolay; Bozovic-Jelisavcic, Ivanka; Bracinik, Juraj; Braem, André; Branchini, Paolo; Brandenburg, George; Brandt, Andrew; Brandt, Gerhard; Brandt, Oleg; Bratzler, Uwe; Brau, Benjamin; Brau, James; Braun, Helmut; Brelier, Bertrand; Bremer, Johan; Brenner, Richard; Bressler, Shikma; Breton, Dominique; Britton, Dave; Brochu, Frederic; Brock, Ian; Brock, Raymond; Brodbeck, Timothy; Brodet, Eyal; Broggi, Francesco; Bromberg, Carl; Bronner, Johanna; Brooijmans, Gustaaf; Brooks, William; Brown, Gareth; Brown, Heather; Bruckman de Renstrom, Pawel; Bruncko, Dusan; Bruneliere, Renaud; Brunet, Sylvie; Bruni, Alessia; Bruni, Graziano; Bruschi, Marco; Buanes, Trygve; Buat, Quentin; Bucci, Francesca; Buchanan, James; Buchanan, Norman; Buchholz, Peter; Buckingham, Ryan; Buckley, Andrew; Buda, Stelian Ioan; Budagov, Ioulian; Budick, Burton; Büscher, Volker; Bugge, Lars; Bulekov, Oleg; Bunse, Moritz; Buran, Torleiv; Burckhart, Helfried; Burdin, Sergey; Burgess, Thomas; Burke, Stephen; Busato, Emmanuel; Bussey, Peter; Buszello, Claus-Peter; Butin, François; Butler, Bart; Butler, John; Buttar, Craig; Butterworth, Jonathan; Buttinger, William; Cabrera Urbán, Susana; Caforio, Davide; Cakir, Orhan; Calafiura, Paolo; Calderini, Giovanni; Calfayan, Philippe; Calkins, Robert; Caloba, Luiz; Caloi, Rita; Calvet, David; Calvet, Samuel; Camacho Toro, Reina; Camarri, Paolo; Cambiaghi, Mario; Cameron, David; Caminada, Lea Michaela; Campana, Simone; Campanelli, Mario; Canale, Vincenzo; Canelli, Florencia; Canepa, Anadi; Cantero, Josu; Capasso, Luciano; Capeans Garrido, Maria Del Mar; Caprini, Irinel; Caprini, Mihai; Capriotti, Daniele; Capua, Marcella; Caputo, Regina; Caramarcu, Costin; Cardarelli, Roberto; Carli, Tancredi; Carlino, Gianpaolo; Carminati, Leonardo; Caron, Bryan; Caron, Sascha; Carrillo Montoya, German D; Carter, Antony; Carter, Janet; Carvalho, João; Casadei, Diego; Casado, Maria Pilar; Cascella, Michele; Caso, Carlo; Castaneda Hernandez, Alfredo Martin; Castaneda-Miranda, Elizabeth; Castillo Gimenez, Victoria; Castro, Nuno Filipe; Cataldi, Gabriella; Cataneo, Fernando; Catinaccio, Andrea; Catmore, James; Cattai, Ariella; Cattani, Giordano; Caughron, Seth; Cauz, Diego; Cavalleri, Pietro; Cavalli, Donatella; Cavalli-Sforza, Matteo; Cavasinni, Vincenzo; Ceradini, Filippo; Santiago Cerqueira, Augusto; Cerri, Alessandro; Cerrito, Lucio; Cerutti, Fabio; Cetin, Serkant Ali; Cevenini, Francesco; Chafaq, Aziz; Chakraborty, Dhiman; Chan, Kevin; Chapleau, Bertrand; Chapman, John Derek; Chapman, John Wehrley; Chareyre, Eve; Charlton, Dave; Chavda, Vikash; Chavez Barajas, Carlos Alberto; Cheatham, Susan; Chekanov, Sergei; Chekulaev, Sergey; Chelkov, Gueorgui; Chelstowska, Magda Anna; Chen, Chunhui; Chen, Hucheng; Chen, Shenjian; Chen, Tingyang; Chen, Xin; Cheng, Shaochen; Cheplakov, Alexander; Chepurnov, Vladimir; Cherkaoui El Moursli, Rajaa; Chernyatin, Valeriy; Cheu, Elliott; Cheung, Sing-Leung; Chevalier, Laurent; Chiefari, Giovanni; Chikovani, Leila; Childers, John Taylor; Chilingarov, Alexandre; Chiodini, Gabriele; Chizhov, Mihail; Choudalakis, Georgios; Chouridou, Sofia; Christidi, Illectra-Athanasia; Christov, Asen; Chromek-Burckhart, Doris; Chu, Ming-Lee; Chudoba, Jiri; Ciapetti, Guido; Ciba, Krzysztof; Ciftci, Abbas Kenan; Ciftci, Rena; Cinca, Diane; Cindro, Vladimir; Ciobotaru, Matei Dan; Ciocca, Claudia; Ciocio, Alessandra; Cirilli, Manuela; Citterio, Mauro; Ciubancan, Mihai; Clark, Allan G; Clark, Philip James; Cleland, Bill; Clemens, Jean-Claude; Clement, Benoit; Clement, Christophe; Clifft, Roger; Coadou, Yann; Cobal, Marina; Coccaro, Andrea; Cochran, James H; Coe, Paul; Cogan, Joshua Godfrey; Coggeshall, James; Cogneras, Eric; Colas, Jacques; Colijn, Auke-Pieter; Collins, Neil; Collins-Tooth, Christopher; Collot, Johann; Colon, German; Conde Muiño, Patricia; Coniavitis, Elias; Conidi, Maria Chiara; Consonni, Michele; Consorti, Valerio; Constantinescu, Serban; Conta, Claudio; Conventi, Francesco; Cook, James; Cooke, Mark; Cooper, Ben; Cooper-Sarkar, Amanda; Copic, Katherine; Cornelissen, Thijs; Corradi, Massimo; Corriveau, Francois; Cortes-Gonzalez, Arely; Cortiana, Giorgio; Costa, Giuseppe; Costa, María José; Costanzo, Davide; Costin, Tudor; Côté, David; Coura Torres, Rodrigo; Courneyea, Lorraine; Cowan, Glen; Cowden, Christopher; Cox, Brian; Cranmer, Kyle; Crescioli, Francesco; Cristinziani, Markus; Crosetti, Giovanni; Crupi, Roberto; Crépé-Renaudin, Sabine; Cuciuc, Constantin-Mihai; Cuenca Almenar, Cristóbal; Cuhadar Donszelmann, Tulay; Curatolo, Maria; Curtis, Chris; Cuthbert, Cameron; Cwetanski, Peter; Czirr, Hendrik; Czodrowski, Patrick; Czyczula, Zofia; D'Auria, Saverio; D'Onofrio, Monica; D'Orazio, Alessia; Da Silva, Paulo Vitor; Da Via, Cinzia; Dabrowski, Wladyslaw; Dai, Tiesheng; Dallapiccola, Carlo; Dam, Mogens; Dameri, Mauro; Damiani, Daniel; Danielsson, Hans Olof; Dannheim, Dominik; Dao, Valerio; Darbo, Giovanni; Darlea, Georgiana Lavinia; Daum, Cornelis; Davey, Will; Davidek, Tomas; Davidson, Nadia; Davidson, Ruth; Davies, Eleanor; Davies, Merlin; Davison, Adam; Davygora, Yuriy; Dawe, Edmund; Dawson, Ian; Dawson, John; Daya-Ishmukhametova, Rozmin; De, Kaushik; de Asmundis, Riccardo; De Castro, Stefano; De Castro Faria Salgado, Pedro; De Cecco, Sandro; de Graat, Julien; De Groot, Nicolo; de Jong, Paul; De La Taille, Christophe; De la Torre, Hector; De Lotto, Barbara; de Mora, Lee; De Nooij, Lucie; De Pedis, Daniele; De Salvo, Alessandro; De Sanctis, Umberto; De Santo, Antonella; De Vivie De Regie, Jean-Baptiste; Dean, Simon; Dearnaley, William James; Debbe, Ramiro; Debenedetti, Chiara; Dedovich, Dmitri; Degenhardt, James; Dehchar, Mohamed; Del Papa, Carlo; Del Peso, Jose; Del Prete, Tarcisio; Delemontex, Thomas; Deliyergiyev, Maksym; Dell'Acqua, Andrea; Dell'Asta, Lidia; Della Pietra, Massimo; della Volpe, Domenico; Delmastro, Marco; Delruelle, Nicolas; Delsart, Pierre-Antoine; Deluca, Carolina; Demers, Sarah; Demichev, Mikhail; Demirkoz, Bilge; Deng, Jianrong; Denisov, Sergey; Derendarz, Dominik; Derkaoui, Jamal Eddine; Derue, Frederic; Dervan, Paul; Desch, Klaus Kurt; Devetak, Erik; Deviveiros, Pier-Olivier; Dewhurst, Alastair; DeWilde, Burton; Dhaliwal, Saminder; Dhullipudi, Ramasudhakar; Di Ciaccio, Anna; Di Ciaccio, Lucia; Di Girolamo, Alessandro; Di Girolamo, Beniamino; Di Luise, Silvestro; Di Mattia, Alessandro; Di Micco, Biagio; Di Nardo, Roberto; Di Simone, Andrea; Di Sipio, Riccardo; Diaz, Marco Aurelio; Diblen, Faruk; Diehl, Edward; Dietrich, Janet; Dietzsch, Thorsten; Diglio, Sara; Dindar Yagci, Kamile; Dingfelder, Jochen; Dionisi, Carlo; Dita, Petre; Dita, Sanda; Dittus, Fridolin; Djama, Fares; Djobava, Tamar; Barros do Vale, Maria Aline; Do Valle Wemans, André; Doan, Thi Kieu Oanh; Dobbs, Matt; Dobinson, Robert; Dobos, Daniel; Dobson, Ellie; Dodd, Jeremy; Doglioni, Caterina; Doherty, Tom; Doi, Yoshikuni; Dolejsi, Jiri; Dolenc, Irena; Dolezal, Zdenek; Dolgoshein, Boris; Dohmae, Takeshi; Donadelli, Marisilvia; Donega, Mauro; Donini, Julien; Dopke, Jens; Doria, Alessandra; Dos Anjos, Andre; Dosil, Mireia; Dotti, Andrea; Dova, Maria-Teresa; Dowell, John; Doxiadis, Alexander; Doyle, Tony; Drasal, Zbynek; Drees, Jürgen; Dressnandt, Nandor; Drevermann, Hans; Driouichi, Chafik; Dris, Manolis; Dubbert, Jörg; Dube, Sourabh; Duchovni, Ehud; Duckeck, Guenter; Dudarev, Alexey; Dudziak, Fanny; Dührssen, Michael; Duerdoth, Ian; Duflot, Laurent; Dufour, Marc-Andre; Dunford, Monica; Duran Yildiz, Hatice; Duxfield, Robert; Dwuznik, Michal; Dydak, Friedrich; Düren, Michael; Ebenstein, William; Ebke, Johannes; Eckweiler, Sebastian; Edmonds, Keith; Edwards, Clive; Edwards, Nicholas Charles; Ehrenfeld, Wolfgang; Ehrich, Thies; Eifert, Till; Eigen, Gerald; Einsweiler, Kevin; Eisenhandler, Eric; Ekelof, Tord; El Kacimi, Mohamed; Ellert, Mattias; Elles, Sabine; Ellinghaus, Frank; Ellis, Katherine; Ellis, Nicolas; Elmsheuser, Johannes; Elsing, Markus; Emeliyanov, Dmitry; Engelmann, Roderich; Engl, Albert; Epp, Brigitte; Eppig, Andrew; Erdmann, Johannes; Ereditato, Antonio; Eriksson, Daniel; Ernst, Jesse; Ernst, Michael; Ernwein, Jean; Errede, Deborah; Errede, Steven; Ertel, Eugen; Escalier, Marc; Escobar, Carlos; Espinal Curull, Xavier; Esposito, Bellisario; Etienne, Francois; Etienvre, Anne-Isabelle; Etzion, Erez; Evangelakou, Despoina; Evans, Hal; Fabbri, Laura; Fabre, Caroline; Fakhrutdinov, Rinat; Falciano, Speranza; Fang, Yaquan; Fanti, Marcello; Farbin, Amir; Farilla, Addolorata; Farley, Jason; Farooque, Trisha; Farrington, Sinead; Farthouat, Philippe; Fassnacht, Patrick; Fassouliotis, Dimitrios; Fatholahzadeh, Baharak; Favareto, Andrea; Fayard, Louis; Fazio, Salvatore; Febbraro, Renato; Federic, Pavol; Fedin, Oleg; Fedorko, Woiciech; Fehling-Kaschek, Mirjam; Feligioni, Lorenzo; Fellmann, Denis; Feng, Cunfeng; Feng, Eric; Fenyuk, Alexander; Ferencei, Jozef; Ferland, Jonathan; Fernando, Waruna; Ferrag, Samir; Ferrando, James; Ferrara, Valentina; Ferrari, Arnaud; Ferrari, Pamela; Ferrari, Roberto; Ferrer, Antonio; Ferrer, Maria Lorenza; Ferrere, Didier; Ferretti, Claudio; Ferretto Parodi, Andrea; Fiascaris, Maria; Fiedler, Frank; Filipčič, Andrej; Filippas, Anastasios; Filthaut, Frank; Fincke-Keeler, Margret; Fiolhais, Miguel; Fiorini, Luca; Firan, Ana; Fischer, Gordon; Fischer, Peter; Fisher, Matthew; Flechl, Martin; Fleck, Ivor; Fleckner, Johanna; Fleischmann, Philipp; Fleischmann, Sebastian; Flick, Tobias; Flores Castillo, Luis; Flowerdew, Michael; Fokitis, Manolis; Fonseca Martin, Teresa; Forbush, David Alan; Formica, Andrea; Forti, Alessandra; Fortin, Dominique; Foster, Joe; Fournier, Daniel; Foussat, Arnaud; Fowler, Andrew; Fowler, Ken; Fox, Harald; Francavilla, Paolo; Franchino, Silvia; Francis, David; Frank, Tal; Franklin, Melissa; Franz, Sebastien; Fraternali, Marco; Fratina, Sasa; French, Sky; Friedrich, Felix; Froeschl, Robert; Froidevaux, Daniel; Frost, James; Fukunaga, Chikara; Fullana Torregrosa, Esteban; Fuster, Juan; Gabaldon, Carolina; Gabizon, Ofir; Gadfort, Thomas; Gadomski, Szymon; Gagliardi, Guido; Gagnon, Pauline; Galea, Cristina; Gallas, Elizabeth; Gallo, Valentina Santina; Gallop, Bruce; Gallus, Petr; Gan, KK; Gao, Yongsheng; Gapienko, Vladimir; Gaponenko, Andrei; Garberson, Ford; Garcia-Sciveres, Maurice; García, Carmen; García Navarro, José Enrique; Gardner, Robert; Garelli, Nicoletta; Garitaonandia, Hegoi; Garonne, Vincent; Garvey, John; Gatti, Claudio; Gaudio, Gabriella; Gaumer, Olivier; Gaur, Bakul; Gauthier, Lea; Gavrilenko, Igor; Gay, Colin; Gaycken, Goetz; Gayde, Jean-Christophe; Gazis, Evangelos; Ge, Peng; Gee, Norman; Geerts, Daniël Alphonsus Adrianus; Geich-Gimbel, Christoph; Gellerstedt, Karl; Gemme, Claudia; Gemmell, Alistair; Genest, Marie-Hélène; Gentile, Simonetta; George, Matthias; George, Simon; Gerlach, Peter; Gershon, Avi; Geweniger, Christoph; Ghazlane, Hamid; Ghodbane, Nabil; Giacobbe, Benedetto; Giagu, Stefano; Giakoumopoulou, Victoria; Giangiobbe, Vincent; Gianotti, Fabiola; Gibbard, Bruce; Gibson, Adam; Gibson, Stephen; Gilbert, Laura; Gilewsky, Valentin; Gillberg, Dag; Gillman, Tony; Gingrich, Douglas; Ginzburg, Jonatan; Giokaris, Nikos; Giordani, MarioPaolo; Giordano, Raffaele; Giorgi, Francesco Michelangelo; Giovannini, Paola; Giraud, Pierre-Francois; Giugni, Danilo; Giunta, Michele; Giusti, Paolo; Gjelsten, Børge Kile; Gladilin, Leonid; Glasman, Claudia; Glatzer, Julian; Glazov, Alexandre; Glitza, Karl-Walter; Glonti, George; Goddard, Jack Robert; Godfrey, Jennifer; Godlewski, Jan; Goebel, Martin; Göpfert, Thomas; Goeringer, Christian; Gössling, Claus; Göttfert, Tobias; Goldfarb, Steven; Golling, Tobias; Golovnia, Serguei; Gomes, Agostinho; Gomez Fajardo, Luz Stella; Gonçalo, Ricardo; Goncalves Pinto Firmino Da Costa, Joao; Gonella, Laura; Gonidec, Allain; Gonzalez, Saul; González de la Hoz, Santiago; Gonzalez Parra, Garoe; Gonzalez Silva, Laura; Gonzalez-Sevilla, Sergio; Goodson, Jeremiah Jet; Goossens, Luc; Gorbounov, Petr Andreevich; Gordon, Howard; Gorelov, Igor; Gorfine, Grant; Gorini, Benedetto; Gorini, Edoardo; Gorišek, Andrej; Gornicki, Edward; Gorokhov, Serguei; Goryachev, Vladimir; Gosdzik, Bjoern; Gosselink, Martijn; Gostkin, Mikhail Ivanovitch; Gough Eschrich, Ivo; Gouighri, Mohamed; Goujdami, Driss; Goulette, Marc Phillippe; Goussiou, Anna; Goy, Corinne; Gozpinar, Serdar; Grabowska-Bold, Iwona; Grafström, Per; Grahn, Karl-Johan; Grancagnolo, Francesco; Grancagnolo, Sergio; Grassi, Valerio; Gratchev, Vadim; Grau, Nathan; Gray, Heather; Gray, Julia Ann; Graziani, Enrico; Grebenyuk, Oleg; Greenshaw, Timothy; Greenwood, Zeno Dixon; Gregersen, Kristian; Gregor, Ingrid-Maria; Grenier, Philippe; Griffiths, Justin; Grigalashvili, Nugzar; Grillo, Alexander; Grinstein, Sebastian; Grishkevich, Yaroslav; Grivaz, Jean-Francois; Groh, Manfred; Gross, Eilam; Grosse-Knetter, Joern; Groth-Jensen, Jacob; Grybel, Kai; Guarino, Victor; Guest, Daniel; Guicheney, Christophe; Guida, Angelo; Guindon, Stefan; Guler, Hulya; Gunther, Jaroslav; Guo, Bin; Guo, Jun; Gupta, Ambreesh; Gusakov, Yury; Gushchin, Vladimir; Gutierrez, Andrea; Gutierrez, Phillip; Guttman, Nir; Gutzwiller, Olivier; Guyot, Claude; Gwenlan, Claire; Gwilliam, Carl; Haas, Andy; Haas, Stefan; Haber, Carl; Hadavand, Haleh Khani; Hadley, David; Haefner, Petra; Hahn, Ferdinand; Haider, Stefan; Hajduk, Zbigniew; Hakobyan, Hrachya; Hall, David; Haller, Johannes; Hamacher, Klaus; Hamal, Petr; Hamer, Matthias; Hamilton, Andrew; Hamilton, Samuel; Han, Hongguang; Han, Liang; Hanagaki, Kazunori; Hanawa, Keita; Hance, Michael; Handel, Carsten; Hanke, Paul; Hansen, John Renner; Hansen, Jørgen Beck; Hansen, Jorn Dines; Hansen, Peter Henrik; Hansson, Per; Hara, Kazuhiko; Hare, Gabriel; Harenberg, Torsten; Harkusha, Siarhei; Harper, Devin; Harrington, Robert; Harris, Orin; Harrison, Karl; Hartert, Jochen; Hartjes, Fred; Haruyama, Tomiyoshi; Harvey, Alex; Hasegawa, Satoshi; Hasegawa, Yoji; Hassani, Samira; Hatch, Mark; Hauff, Dieter; Haug, Sigve; Hauschild, Michael; Hauser, Reiner; Havranek, Miroslav; Hawes, Brian; Hawkes, Christopher; Hawkings, Richard John; Hawkins, Anthony David; Hawkins, Donovan; Hayakawa, Takashi; Hayashi, Takayasu; Hayden, Daniel; Hayward, Helen; Haywood, Stephen; Hazen, Eric; He, Mao; Head, Simon; Hedberg, Vincent; Heelan, Louise; Heim, Sarah; Heinemann, Beate; Heisterkamp, Simon; Helary, Louis; Heller, Claudio; Heller, Matthieu; Hellman, Sten; Hellmich, Dennis; Helsens, Clement; Henderson, Robert; Henke, Michael; Henrichs, Anna; Henriques Correia, Ana Maria; Henrot-Versille, Sophie; Henry-Couannier, Frédéric; Hensel, Carsten; Henß, Tobias; Medina Hernandez, Carlos; Hernández Jiménez, Yesenia; Herrberg, Ruth; Hershenhorn, Alon David; Herten, Gregor; Hertenberger, Ralf; Hervas, Luis; Hessey, Nigel; Higón-Rodriguez, Emilio; Hill, Daniel; Hill, John; Hill, Norman; Hiller, Karl Heinz; Hillert, Sonja; Hillier, Stephen; Hinchliffe, Ian; Hines, Elizabeth; Hirose, Minoru; Hirsch, Florian; Hirschbuehl, Dominic; Hobbs, John; Hod, Noam; Hodgkinson, Mark; Hodgson, Paul; Hoecker, Andreas; Hoeferkamp, Martin; Hoffman, Julia; Hoffmann, Dirk; Hohlfeld, Marc; Holder, Martin; Holmgren, Sven-Olof; Holy, Tomas; Holzbauer, Jenny; Homma, Yasuhiro; Hong, Tae Min; Hooft van Huysduynen, Loek; Horazdovsky, Tomas; Horn, Claus; Horner, Stephan; Hostachy, Jean-Yves; Hou, Suen; Houlden, Michael; Hoummada, Abdeslam; Howarth, James; Howell, David; Hristova, Ivana; Hrivnac, Julius; Hruska, Ivan; Hryn'ova, Tetiana; Hsu, Pai-hsien Jennifer; Hsu, Shih-Chieh; Huang, Guang Shun; Hubacek, Zdenek; Hubaut, Fabrice; Huegging, Fabian; Huettmann, Antje; Huffman, Todd Brian; Hughes, Emlyn; Hughes, Gareth; Hughes-Jones, Richard; Huhtinen, Mika; Hurst, Peter; Hurwitz, Martina; Husemann, Ulrich; Huseynov, Nazim; Huston, Joey; Huth, John; Iacobucci, Giuseppe; Iakovidis, Georgios; Ibbotson, Michael; Ibragimov, Iskander; Ichimiya, Ryo; Iconomidou-Fayard, Lydia; Idarraga, John; Iengo, Paolo; Igonkina, Olga; Ikegami, Yoichi; Ikeno, Masahiro; Ilchenko, Yuri; Iliadis, Dimitrios; Ilic, Nikolina; Imbault, Didier; Imori, Masatoshi; Ince, Tayfun; Inigo-Golfin, Joaquin; Ioannou, Pavlos; Iodice, Mauro; Ippolito, Valerio; Irles Quiles, Adrian; Isaksson, Charlie; Ishikawa, Akimasa; Ishino, Masaya; Ishmukhametov, Renat; Issever, Cigdem; Istin, Serhat; Ivashin, Anton; Iwanski, Wieslaw; Iwasaki, Hiroyuki; Izen, Joseph; Izzo, Vincenzo; Jackson, Brett; Jackson, John; Jackson, Paul; Jaekel, Martin; Jain, Vivek; Jakobs, Karl; Jakobsen, Sune; Jakubek, Jan; Jana, Dilip; Jankowski, Ernest; Jansen, Eric; Jansen, Hendrik; Jantsch, Andreas; Janus, Michel; Jarlskog, Göran; Jeanty, Laura; Jelen, Kazimierz; Jen-La Plante, Imai; Jenni, Peter; Jeremie, Andrea; Jež, Pavel; Jézéquel, Stéphane; Jha, Manoj Kumar; Ji, Haoshuang; Ji, Weina; Jia, Jiangyong; Jiang, Yi; Jimenez Belenguer, Marcos; Jin, Ge; Jin, Shan; Jinnouchi, Osamu; Joergensen, Morten Dam; Joffe, David; Johansen, Lars; Johansen, Marianne; Johansson, Erik; Johansson, Per; Johnert, Sebastian; Johns, Kenneth; Jon-And, Kerstin; Jones, Graham; Jones, Roger; Jones, Tegid; Jones, Tim; Jonsson, Ove; Joram, Christian; Jorge, Pedro; Joseph, John; Jovin, Tatjana; Ju, Xiangyang; Jung, Christian; Jungst, Ralph Markus; Juranek, Vojtech; Jussel, Patrick; Juste Rozas, Aurelio; Kabachenko, Vasily; Kabana, Sonja; Kaci, Mohammed; Kaczmarska, Anna; Kadlecik, Peter; Kado, Marumi; Kagan, Harris; Kagan, Michael; Kaiser, Steffen; Kajomovitz, Enrique; Kalinin, Sergey; Kalinovskaya, Lidia; Kama, Sami; Kanaya, Naoko; Kaneda, Michiru; Kaneti, Steven; Kanno, Takayuki; Kantserov, Vadim; Kanzaki, Junichi; Kaplan, Benjamin; Kapliy, Anton; Kaplon, Jan; Kar, Deepak; Karagounis, Michael; Karagoz, Muge; Karnevskiy, Mikhail; Karr, Kristo; Kartvelishvili, Vakhtang; Karyukhin, Andrey; Kashif, Lashkar; Kasieczka, Gregor; Kass, Richard; Kastanas, Alex; Kataoka, Mayuko; Kataoka, Yousuke; Katsoufis, Elias; Katzy, Judith; Kaushik, Venkatesh; Kawagoe, Kiyotomo; Kawamoto, Tatsuo; Kawamura, Gen; Kayl, Manuel; Kazanin, Vassili; Kazarinov, Makhail; Keeler, Richard; Kehoe, Robert; Keil, Markus; Kekelidze, George; Kennedy, John; Kenney, Christopher John; Kenyon, Mike; Kepka, Oldrich; Kerschen, Nicolas; Kerševan, Borut Paul; Kersten, Susanne; Kessoku, Kohei; Keung, Justin; Khalil-zada, Farkhad; Khandanyan, Hovhannes; Khanov, Alexander; Kharchenko, Dmitri; Khodinov, Alexander; Kholodenko, Anatoli; Khomich, Andrei; Khoo, Teng Jian; Khoriauli, Gia; Khoroshilov, Andrey; Khovanskiy, Nikolai; Khovanskiy, Valery; Khramov, Evgeniy; Khubua, Jemal; Kim, Hyeon Jin; Kim, Min Suk; Kim, Peter; Kim, Shinhong; Kimura, Naoki; Kind, Oliver; King, Barry; King, Matthew; King, Robert Steven Beaufoy; Kirk, Julie; Kirsch, Lawrence; Kiryunin, Andrey; Kishimoto, Tomoe; Kisielewska, Danuta; Kittelmann, Thomas; Kiver, Andrey; Kladiva, Eduard; Klaiber-Lodewigs, Jonas; Klein, Max; Klein, Uta; Kleinknecht, Konrad; Klemetti, Miika; Klier, Amit; Klimek, Pawel; Klimentov, Alexei; Klingenberg, Reiner; Klinkby, Esben; Klioutchnikova, Tatiana; Klok, Peter; Klous, Sander; Kluge, Eike-Erik; Kluge, Thomas; Kluit, Peter; Kluth, Stefan; Knecht, Neil; Kneringer, Emmerich; Knobloch, Juergen; Knoops, Edith; Knue, Andrea; Ko, Byeong Rok; Kobayashi, Tomio; Kobel, Michael; Kocian, Martin; Kodys, Peter; Köneke, Karsten; König, Adriaan; Koenig, Sebastian; Köpke, Lutz; Koetsveld, Folkert; Koevesarki, Peter; Koffas, Thomas; Koffeman, Els; Kogan, Lucy Anne; Kohn, Fabian; Kohout, Zdenek; Kohriki, Takashi; Koi, Tatsumi; Kokott, Thomas; Kolachev, Guennady; Kolanoski, Hermann; Kolesnikov, Vladimir; Koletsou, Iro; Koll, James; Kollar, Daniel; Kollefrath, Michael; Kolya, Scott; Komar, Aston; Komori, Yuto; Kondo, Takahiko; Kono, Takanori; Kononov, Anatoly; Konoplich, Rostislav; Konstantinidis, Nikolaos; Kootz, Andreas; Koperny, Stefan; Korcyl, Krzysztof; Kordas, Kostantinos; Koreshev, Victor; Korn, Andreas; Korol, Aleksandr; Korolkov, Ilya; Korolkova, Elena; Korotkov, Vladislav; Kortner, Oliver; Kortner, Sandra; Kostyukhin, Vadim; Kotamäki, Miikka Juhani; Kotov, Sergey; Kotov, Vladislav; Kotwal, Ashutosh; Kourkoumelis, Christine; Kouskoura, Vasiliki; Koutsman, Alex; Kowalewski, Robert Victor; Kowalski, Tadeusz; Kozanecki, Witold; Kozhin, Anatoly; Kral, Vlastimil; Kramarenko, Viktor; Kramberger, Gregor; Krasny, Mieczyslaw Witold; Krasznahorkay, Attila; Kraus, James; Kraus, Jana; Kreisel, Arik; Krejci, Frantisek; Kretzschmar, Jan; Krieger, Nina; Krieger, Peter; Kroeninger, Kevin; Kroha, Hubert; Kroll, Joe; Kroseberg, Juergen; Krstic, Jelena; Kruchonak, Uladzimir; Krüger, Hans; Kruker, Tobias; Krumnack, Nils; Krumshteyn, Zinovii; Kruth, Andre; Kubota, Takashi; Kuehn, Susanne; Kugel, Andreas; Kuhl, Thorsten; Kuhn, Dietmar; Kukhtin, Victor; Kulchitsky, Yuri; Kuleshov, Sergey; Kummer, Christian; Kuna, Marine; Kundu, Nikhil; Kunkle, Joshua; Kupco, Alexander; Kurashige, Hisaya; Kurata, Masakazu; Kurochkin, Yurii; Kus, Vlastimil; Kuwertz, Emma Sian; Kuze, Masahiro; Kvita, Jiri; Kwee, Regina; La Rosa, Alessandro; La Rotonda, Laura; Labarga, Luis; Labbe, Julien; Lablak, Said; Lacasta, Carlos; Lacava, Francesco; Lacker, Heiko; Lacour, Didier; Lacuesta, Vicente Ramón; Ladygin, Evgueni; Lafaye, Remi; Laforge, Bertrand; Lagouri, Theodota; Lai, Stanley; Laisne, Emmanuel; Lamanna, Massimo; Lampen, Caleb; Lampl, Walter; Lancon, Eric; Landgraf, Ulrich; Landon, Murrough; Landsman, Hagar; Lane, Jenna; Lange, Clemens; Lankford, Andrew; Lanni, Francesco; Lantzsch, Kerstin; Laplace, Sandrine; Lapoire, Cecile; Laporte, Jean-Francois; Lari, Tommaso; Larionov, Anatoly; Larner, Aimee; Lasseur, Christian; Lassnig, Mario; Laurelli, Paolo; Lavrijsen, Wim; Laycock, Paul; Lazarev, Alexandre; Le Dortz, Olivier; Le Guirriec, Emmanuel; Le Maner, Christophe; Le Menedeu, Eve; Lebel, Céline; LeCompte, Thomas; Ledroit-Guillon, Fabienne Agnes Marie; Lee, Hurng-Chun; Lee, Jason; Lee, Shih-Chang; Lee, Lawrence; Lefebvre, Michel; Legendre, Marie; Leger, Annie; LeGeyt, Benjamin; Legger, Federica; Leggett, Charles; Lehmacher, Marc; Lehmann Miotto, Giovanna; Lei, Xiaowen; Leite, Marco Aurelio Lisboa; Leitner, Rupert; Lellouch, Daniel; Leltchouk, Mikhail; Lemmer, Boris; Lendermann, Victor; Leney, Katharine; Lenz, Tatiana; Lenzen, Georg; Lenzi, Bruno; Leonhardt, Kathrin; Leontsinis, Stefanos; Leroy, Claude; Lessard, Jean-Raphael; Lesser, Jonas; Lester, Christopher; Leung Fook Cheong, Annabelle; Levêque, Jessica; Levin, Daniel; Levinson, Lorne; Levitski, Mikhail; Lewis, Adrian; Lewis, George; Leyko, Agnieszka; Leyton, Michael; Li, Bo; Li, Haifeng; Li, Shu; Li, Xuefei; Liang, Zhijun; Liao, Hongbo; Liberti, Barbara; Lichard, Peter; Lichtnecker, Markus; Lie, Ki; Liebig, Wolfgang; Lifshitz, Ronen; Limbach, Christian; Limosani, Antonio; Limper, Maaike; Lin, Simon; Linde, Frank; Linnemann, James; Lipeles, Elliot; Lipinsky, Lukas; Lipniacka, Anna; Liss, Tony; Lissauer, David; Lister, Alison; Litke, Alan; Liu, Chuanlei; Liu, Dong; Liu, Hao; Liu, Jianbei; Liu, Minghui; Liu, Shengli; Liu, Yanwen; Livan, Michele; Livermore, Sarah; Lleres, Annick; Llorente Merino, Javier; Lloyd, Stephen; Lobodzinska, Ewelina; Loch, Peter; Lockman, William; Loddenkoetter, Thomas; Loebinger, Fred; Loginov, Andrey; Loh, Chang Wei; Lohse, Thomas; Lohwasser, Kristin; Lokajicek, Milos; Loken, James; Lombardo, Vincenzo Paolo; Long, Robin Eamonn; Lopes, Lourenco; Lopez Mateos, David; Lorenz, Jeanette; Losada, Marta; Loscutoff, Peter; Lo Sterzo, Francesco; Losty, Michael; Lou, Xinchou; Lounis, Abdenour; Loureiro, Karina; Love, Jeremy; Love, Peter; Lowe, Andrew; Lu, Feng; Lubatti, Henry; Luci, Claudio; Lucotte, Arnaud; Ludwig, Andreas; Ludwig, Dörthe; Ludwig, Inga; Ludwig, Jens; Luehring, Frederick; Luijckx, Guy; Lumb, Debra; Luminari, Lamberto; Lund, Esben; Lund-Jensen, Bengt; Lundberg, Björn; Lundberg, Johan; Lundquist, Johan; Lungwitz, Matthias; Lutz, Gerhard; Lynn, David; Lys, Jeremy; Lytken, Else; Ma, Hong; Ma, Lian Liang; Macana Goia, Jorge Andres; Maccarrone, Giovanni; Macchiolo, Anna; Maček, Boštjan; Machado Miguens, Joana; Mackeprang, Rasmus; Madaras, Ronald; Mader, Wolfgang; Maenner, Reinhard; Maeno, Tadashi; Mättig, Peter; Mättig, Stefan; Magnoni, Luca; Magradze, Erekle; Mahalalel, Yair; Mahboubi, Kambiz; Mahout, Gilles; Maiani, Camilla; Maidantchik, Carmen; Maio, Amélia; Majewski, Stephanie; Makida, Yasuhiro; Makovec, Nikola; Mal, Prolay; Malaescu, Bogdan; Malecki, Pawel; Malecki, Piotr; Maleev, Victor; Malek, Fairouz; Mallik, Usha; Malon, David; Malone, Caitlin; Maltezos, Stavros; Malyshev, Vladimir; Malyukov, Sergei; Mameghani, Raphael; Mamuzic, Judita; Manabe, Atsushi; Mandelli, Luciano; Mandić, Igor; Mandrysch, Rocco; Maneira, José; Mangeard, Pierre-Simon; Manhaes de Andrade Filho, Luciano; Manjavidze, Ioseb; Mann, Alexander; Manning, Peter; Manousakis-Katsikakis, Arkadios; Mansoulie, Bruno; Manz, Andreas; Mapelli, Alessandro; Mapelli, Livio; March, Luis; Marchand, Jean-Francois; Marchese, Fabrizio; Marchiori, Giovanni; Marcisovsky, Michal; Marin, Alexandru; Marino, Christopher; Marroquim, Fernando; Marshall, Robin; Marshall, Zach; Martens, Kalen; Marti-Garcia, Salvador; Martin, Andrew; Martin, Brian; Martin, Brian Thomas; Martin, Franck Francois; Martin, Jean-Pierre; Martin, Philippe; Martin, Tim; Martin, Victoria Jane; Martin dit Latour, Bertrand; Martin-Haugh, Stewart; Martinez, Mario; Martinez Outschoorn, Verena; Martyniuk, Alex; Marx, Marilyn; Marzano, Francesco; Marzin, Antoine; Masetti, Lucia; Mashimo, Tetsuro; Mashinistov, Ruslan; Masik, Jiri; Maslennikov, Alexey; Massa, Ignazio; Massaro, Graziano; Massol, Nicolas; Mastrandrea, Paolo; Mastroberardino, Anna; Masubuchi, Tatsuya; Mathes, Markus; Matricon, Pierre; Matsumoto, Hiroshi; Matsunaga, Hiroyuki; Matsushita, Takashi; Mattravers, Carly; Maugain, Jean-Marie; Maurer, Julien; Maxfield, Stephen; Maximov, Dmitriy; May, Edward; Mayne, Anna; Mazini, Rachid; Mazur, Michael; Mazzanti, Marcello; Mazzoni, Enrico; Mc Kee, Shawn Patrick; McCarn, Allison; McCarthy, Robert; McCarthy, Tom; McCubbin, Norman; McFarlane, Kenneth; Mcfayden, Josh; McGlone, Helen; Mchedlidze, Gvantsa; McLaren, Robert Andrew; Mclaughlan, Tom; McMahon, Steve; McPherson, Robert; Meade, Andrew; Mechnich, Joerg; Mechtel, Markus; Medinnis, Mike; Meera-Lebbai, Razzak; Meguro, Tatsuma; Mehdiyev, Rashid; Mehlhase, Sascha; Mehta, Andrew; Meier, Karlheinz; Meirose, Bernhard; Melachrinos, Constantinos; Mellado Garcia, Bruce Rafael; Mendoza Navas, Luis; Meng, Zhaoxia; Mengarelli, Alberto; Menke, Sven; Menot, Claude; Meoni, Evelin; Mercurio, Kevin Michael; Mermod, Philippe; Merola, Leonardo; Meroni, Chiara; Merritt, Frank; Messina, Andrea; Metcalfe, Jessica; Mete, Alaettin Serhan; Meyer, Carsten; Meyer, Christopher; Meyer, Jean-Pierre; Meyer, Jochen; Meyer, Joerg; Meyer, Thomas Christian; Meyer, W Thomas; Miao, Jiayuan; Michal, Sebastien; Micu, Liliana; Middleton, Robin; Migas, Sylwia; Mijović, Liza; Mikenberg, Giora; Mikestikova, Marcela; Mikuž, Marko; Miller, David; Miller, Robert; Mills, Bill; Mills, Corrinne; Milov, Alexander; Milstead, David; Milstein, Dmitry; Minaenko, Andrey; Miñano Moya, Mercedes; Minashvili, Irakli; Mincer, Allen; Mindur, Bartosz; Mineev, Mikhail; Ming, Yao; Mir, Lluisa-Maria; Mirabelli, Giovanni; Miralles Verge, Lluis; Misiejuk, Andrzej; Mitrevski, Jovan; Mitrofanov, Gennady; Mitsou, Vasiliki A; Mitsui, Shingo; Miyagawa, Paul; Miyazaki, Kazuki; Mjörnmark, Jan-Ulf; Moa, Torbjoern; Mockett, Paul; Moed, Shulamit; Moeller, Victoria; Mönig, Klaus; Möser, Nicolas; Mohapatra, Soumya; Mohr, Wolfgang; Mohrdieck-Möck, Susanne; Moisseev, Artemy; Moles-Valls, Regina; Molina-Perez, Jorge; Monk, James; Monnier, Emmanuel; Montesano, Simone; Monticelli, Fernando; Monzani, Simone; Moore, Roger; Moorhead, Gareth; Mora Herrera, Clemencia; Moraes, Arthur; Morange, Nicolas; Morel, Julien; Morello, Gianfranco; Moreno, Deywis; Moreno Llácer, María; Morettini, Paolo; Morii, Masahiro; Morin, Jerome; Morley, Anthony Keith; Mornacchi, Giuseppe; Morozov, Sergey; Morris, John; Morvaj, Ljiljana; Moser, Hans-Guenther; Mosidze, Maia; Moss, Josh; Mount, Richard; Mountricha, Eleni; Mouraviev, Sergei; Moyse, Edward; Mudrinic, Mihajlo; Mueller, Felix; Mueller, James; Mueller, Klemens; Müller, Thomas; Mueller, Timo; Muenstermann, Daniel; Muir, Alex; Munwes, Yonathan; Murray, Bill; Mussche, Ido; Musto, Elisa; Myagkov, Alexey; Myska, Miroslav; Nadal, Jordi; Nagai, Koichi; Nagano, Kunihiro; Nagasaka, Yasushi; Nagel, Martin; Nairz, Armin Michael; Nakahama, Yu; Nakamura, Koji; Nakamura, Tomoaki; Nakano, Itsuo; Nanava, Gizo; Napier, Austin; Narayan, Rohin; Nash, Michael; Nation, Nigel; Nattermann, Till; Naumann, Thomas; Navarro, Gabriela; Neal, Homer; Nebot, Eduardo; Nechaeva, Polina; Negri, Andrea; Negri, Guido; Nektarijevic, Snezana; Nelson, Andrew; Nelson, Silke; Nelson, Timothy Knight; Nemecek, Stanislav; Nemethy, Peter; Nepomuceno, Andre Asevedo; Nessi, Marzio; Neubauer, Mark; Neusiedl, Andrea; Neves, Ricardo; Nevski, Pavel; Newman, Paul; Nguyen Thi Hong, Van; Nickerson, Richard; Nicolaidou, Rosy; Nicolas, Ludovic; Nicquevert, Bertrand; Niedercorn, Francois; Nielsen, Jason; Niinikoski, Tapio; Nikiforou, Nikiforos; Nikiforov, Andriy; Nikolaenko, Vladimir; Nikolaev, Kirill; Nikolic-Audit, Irena; Nikolics, Katalin; Nikolopoulos, Konstantinos; Nilsen, Henrik; Nilsson, Paul; Ninomiya, Yoichi; Nisati, Aleandro; Nishiyama, Tomonori; Nisius, Richard; Nodulman, Lawrence; Nomachi, Masaharu; Nomidis, Ioannis; Nordberg, Markus; Nordkvist, Bjoern; Norton, Peter; Novakova, Jana; Nozaki, Mitsuaki; Nozka, Libor; Nugent, Ian Michael; Nuncio-Quiroz, Adriana-Elizabeth; Nunes Hanninger, Guilherme; Nunnemann, Thomas; Nurse, Emily; Nyman, Tommi; O'Brien, Brendan Joseph; O'Neale, Steve; O'Neil, Dugan; O'Shea, Val; Oakes, Louise Beth; Oakham, Gerald; Oberlack, Horst; Ocariz, Jose; Ochi, Atsuhiko; Oda, Susumu; Odaka, Shigeru; Odier, Jerome; Ogren, Harold; Oh, Alexander; Oh, Seog; Ohm, Christian; Ohshima, Takayoshi; Ohshita, Hidetoshi; Ohsugi, Takashi; Okada, Shogo; Okawa, Hideki; Okumura, Yasuyuki; Okuyama, Toyonobu; Olariu, Albert; Olcese, Marco; Olchevski, Alexander; Oliveira, Miguel Alfonso; Oliveira Damazio, Denis; Oliver Garcia, Elena; Olivito, Dominick; Olszewski, Andrzej; Olszowska, Jolanta; Omachi, Chihiro; Onofre, António; Onyisi, Peter; Oram, Christopher; Oreglia, Mark; Oren, Yona; Orestano, Domizia; Orlov, Iliya; Oropeza Barrera, Cristina; Orr, Robert; Osculati, Bianca; Ospanov, Rustem; Osuna, Carlos; Otero y Garzon, Gustavo; Ottersbach, John; Ouchrif, Mohamed; Ouellette, Eric; Ould-Saada, Farid; Ouraou, Ahmimed; Ouyang, Qun; Ovcharova, Ana; Owen, Mark; Owen, Simon; Ozcan, Veysi Erkcan; Ozturk, Nurcan; Pacheco Pages, Andres; Padilla Aranda, Cristobal; Pagan Griso, Simone; Paganis, Efstathios; Paige, Frank; Pais, Preema; Pajchel, Katarina; Palacino, Gabriel; Paleari, Chiara; Palestini, Sandro; Pallin, Dominique; Palma, Alberto; Palmer, Jody; Pan, Yibin; Panagiotopoulou, Evgenia; Panes, Boris; Panikashvili, Natalia; Panitkin, Sergey; Pantea, Dan; Panuskova, Monika; Paolone, Vittorio; Papadelis, Aras; Papadopoulou, Theodora; Paramonov, Alexander; Park, Woochun; Parker, Andy; Parodi, Fabrizio; Parsons, John; Parzefall, Ulrich; Pasqualucci, Enrico; Passaggio, Stefano; Passeri, Antonio; Pastore, Fernanda; Pastore, Francesca; Pásztor, Gabriella; Pataraia, Sophio; Patel, Nikhul; Pater, Joleen; Patricelli, Sergio; Pauly, Thilo; Pecsy, Martin; Pedraza Morales, Maria Isabel; Peleganchuk, Sergey; Peng, Haiping; Pengo, Ruggero; Penson, Alexander; Penwell, John; Perantoni, Marcelo; Perez, Kerstin; Perez Cavalcanti, Tiago; Perez Codina, Estel; Pérez García-Estañ, María Teresa; Perez Reale, Valeria; Perini, Laura; Pernegger, Heinz; Perrino, Roberto; Perrodo, Pascal; Persembe, Seda; Perus, Antoine; Peshekhonov, Vladimir; Peters, Krisztian; Petersen, Brian; Petersen, Jorgen; Petersen, Troels; Petit, Elisabeth; Petridis, Andreas; Petridou, Chariclia; Petrolo, Emilio; Petrucci, Fabrizio; Petschull, Dennis; Petteni, Michele; Pezoa, Raquel; Phan, Anna; Phillips, Peter William; Piacquadio, Giacinto; Piccaro, Elisa; Piccinini, Maurizio; Piec, Sebastian Marcin; Piegaia, Ricardo; Pignotti, David; Pilcher, James; Pilkington, Andrew; Pina, João Antonio; Pinamonti, Michele; Pinder, Alex; Pinfold, James; Ping, Jialun; Pinto, Belmiro; Pirotte, Olivier; Pizio, Caterina; Plamondon, Mathieu; Pleier, Marc-Andre; Pleskach, Anatoly; Poblaguev, Andrei; Poddar, Sahill; Podlyski, Fabrice; Poggioli, Luc; Poghosyan, Tatevik; Pohl, Martin; Polci, Francesco; Polesello, Giacomo; Policicchio, Antonio; Polini, Alessandro; Poll, James; Polychronakos, Venetios; Pomarede, Daniel Marc; Pomeroy, Daniel; Pommès, Kathy; Pontecorvo, Ludovico; Pope, Bernard; Popeneciu, Gabriel Alexandru; Popovic, Dragan; Poppleton, Alan; Portell Bueso, Xavier; Posch, Christoph; Pospelov, Guennady; Pospisil, Stanislav; Potrap, Igor; Potter, Christina; Potter, Christopher; Poulard, Gilbert; Poveda, Joaquin; Prabhu, Robindra; Pralavorio, Pascal; Pranko, Aliaksandr; Prasad, Srivas; Pravahan, Rishiraj; Prell, Soeren; Pretzl, Klaus Peter; Pribyl, Lukas; Price, Darren; Price, Joe; Price, Lawrence; Price, Michael John; Prieur, Damien; Primavera, Margherita; Prokofiev, Kirill; Prokoshin, Fedor; Protopopescu, Serban; Proudfoot, James; Prudent, Xavier; Przybycien, Mariusz; Przysiezniak, Helenka; Psoroulas, Serena; Ptacek, Elizabeth; Pueschel, Elisa; Purdham, John; Purohit, Milind; Puzo, Patrick; Pylypchenko, Yuriy; Qian, Jianming; Qian, Zuxuan; Qin, Zhonghua; Quadt, Arnulf; Quarrie, David; Quayle, William; Quinonez, Fernando; Raas, Marcel; Radescu, Voica; Radics, Balint; Radloff, Peter; Rador, Tonguc; Ragusa, Francesco; Rahal, Ghita; Rahimi, Amir; Rahm, David; Rajagopalan, Srinivasan; Rammensee, Michael; Rammes, Marcus; Randle-Conde, Aidan Sean; Randrianarivony, Koloina; Ratoff, Peter; Rauscher, Felix; Raymond, Michel; Read, Alexander Lincoln; Rebuzzi, Daniela; Redelbach, Andreas; Redlinger, George; Reece, Ryan; Reeves, Kendall; Reichold, Armin; Reinherz-Aronis, Erez; Reinsch, Andreas; Reisinger, Ingo; Reljic, Dusan; Rembser, Christoph; Ren, Zhongliang; Renaud, Adrien; Renkel, Peter; Rescigno, Marco; Resconi, Silvia; Resende, Bernardo; Reznicek, Pavel; Rezvani, Reyhaneh; Richards, Alexander; Richter, Robert; Richter-Was, Elzbieta; Ridel, Melissa; Rijpstra, Manouk; Rijssenbeek, Michael; Rimoldi, Adele; Rinaldi, Lorenzo; Rios, Ryan Randy; Riu, Imma; Rivoltella, Giancesare; Rizatdinova, Flera; Rizvi, Eram; Robertson, Steven; Robichaud-Veronneau, Andree; Robinson, Dave; Robinson, James; Robinson, Mary; Robson, Aidan; Rocha de Lima, Jose Guilherme; Roda, Chiara; Roda Dos Santos, Denis; Rodriguez, Diego; Roe, Adam; Roe, Shaun; Røhne, Ole; Rojo, Victoria; Rolli, Simona; Romaniouk, Anatoli; Romano, Marino; Romanov, Victor; Romeo, Gaston; Romero Adam, Elena; Roos, Lydia; Ros, Eduardo; Rosati, Stefano; Rosbach, Kilian; Rose, Anthony; Rose, Matthew; Rosenbaum, Gabriel; Rosenberg, Eli; Rosendahl, Peter Lundgaard; Rosenthal, Oliver; Rosselet, Laurent; Rossetti, Valerio; Rossi, Elvira; Rossi, Leonardo Paolo; Rotaru, Marina; Roth, Itamar; Rothberg, Joseph; Rousseau, David; Royon, Christophe; Rozanov, Alexander; Rozen, Yoram; Ruan, Xifeng; Rubinskiy, Igor; Ruckert, Benjamin; Ruckstuhl, Nicole; Rud, Viacheslav; Rudolph, Christian; Rudolph, Gerald; Rühr, Frederik; Ruggieri, Federico; Ruiz-Martinez, Aranzazu; Rumiantsev, Viktor; Rumyantsev, Leonid; Runge, Kay; Rurikova, Zuzana; Rusakovich, Nikolai; Rust, Dave; Rutherfoord, John; Ruwiedel, Christoph; Ruzicka, Pavel; Ryabov, Yury; Ryadovikov, Vasily; Ryan, Patrick; Rybar, Martin; Rybkin, Grigori; Ryder, Nick; Rzaeva, Sevda; Saavedra, Aldo; Sadeh, Iftach; Sadrozinski, Hartmut; Sadykov, Renat; Safai Tehrani, Francesco; Sakamoto, Hiroshi; Salamanna, Giuseppe; Salamon, Andrea; Saleem, Muhammad; Salihagic, Denis; Salnikov, Andrei; Salt, José; Salvachua Ferrando, Belén; Salvatore, Daniela; Salvatore, Pasquale Fabrizio; Salvucci, Antonio; Salzburger, Andreas; Sampsonidis, Dimitrios; Samset, Björn Hallvard; Sanchez, Arturo; Sandaker, Heidi; Sander, Heinz Georg; Sanders, Michiel; Sandhoff, Marisa; Sandoval, Tanya; Sandoval, Carlos; Sandstroem, Rikard; Sandvoss, Stephan; Sankey, Dave; Sansoni, Andrea; Santamarina Rios, Cibran; Santoni, Claudio; Santonico, Rinaldo; Santos, Helena; Saraiva, João; Sarangi, Tapas; Sarkisyan-Grinbaum, Edward; Sarri, Francesca; Sartisohn, Georg; Sasaki, Osamu; Sasao, Noboru; Satsounkevitch, Igor; Sauvage, Gilles; Sauvan, Emmanuel; Sauvan, Jean-Baptiste; Savard, Pierre; Savinov, Vladimir; Savu, Dan Octavian; Sawyer, Lee; Saxon, David; Says, Louis-Pierre; Sbarra, Carla; Sbrizzi, Antonio; Scallon, Olivia; Scannicchio, Diana; Scarcella, Mark; Schaarschmidt, Jana; Schacht, Peter; Schäfer, Uli; Schaepe, Steffen; Schaetzel, Sebastian; Schaffer, Arthur; Schaile, Dorothee; Schamberger, R. Dean; Schamov, Andrey; Scharf, Veit; Schegelsky, Valery; Scheirich, Daniel; Schernau, Michael; Scherzer, Max; Schiavi, Carlo; Schieck, Jochen; Schioppa, Marco; Schlenker, Stefan; Schlereth, James; Schmidt, Evelyn; Schmieden, Kristof; Schmitt, Christian; Schmitt, Sebastian; Schmitz, Martin; Schöning, André; Schott, Matthias; Schouten, Doug; Schovancova, Jaroslava; Schram, Malachi; Schroeder, Christian; Schroer, Nicolai; Schuh, Silvia; Schuler, Georges; Schultes, Joachim; Schultz-Coulon, Hans-Christian; Schulz, Holger; Schumacher, Jan; Schumacher, Markus; Schumm, Bruce; Schune, Philippe; Schwanenberger, Christian; Schwartzman, Ariel; Schwemling, Philippe; Schwienhorst, Reinhard; Schwierz, Rainer; Schwindling, Jerome; Schwindt, Thomas; Schwoerer, Maud; Scott, Bill; Searcy, Jacob; Sedov, George; Sedykh, Evgeny; Segura, Ester; Seidel, Sally; Seiden, Abraham; Seifert, Frank; Seixas, José; Sekhniaidze, Givi; Selbach, Karoline Elfriede; Seliverstov, Dmitry; Sellden, Bjoern; Sellers, Graham; Seman, Michal; Semprini-Cesari, Nicola; Serfon, Cedric; Serin, Laurent; Seuster, Rolf; Severini, Horst; Sevior, Martin; Sfyrla, Anna; Shabalina, Elizaveta; Shamim, Mansoora; Shan, Lianyou; Shank, James; Shao, Qi Tao; Shapiro, Marjorie; Shatalov, Pavel; Shaver, Leif; Shaw, Kate; Sherman, Daniel; Sherwood, Peter; Shibata, Akira; Shichi, Hideharu; Shimizu, Shima; Shimojima, Makoto; Shin, Taeksu; Shiyakova, Maria; Shmeleva, Alevtina; Shochet, Mel; Short, Daniel; Shrestha, Suyog; Shupe, Michael; Sicho, Petr; Sidoti, Antonio; Siegert, Frank; Sijacki, Djordje; Silbert, Ohad; Silva, José; Silver, Yiftah; Silverstein, Daniel; Silverstein, Samuel; Simak, Vladislav; Simard, Olivier; Simic, Ljiljana; Simion, Stefan; Simmons, Brinick; Simonyan, Margar; Sinervo, Pekka; Sinev, Nikolai; Sipica, Valentin; Siragusa, Giovanni; Sircar, Anirvan; Sisakyan, Alexei; Sivoklokov, Serguei; Sjölin, Jörgen; Sjursen, Therese; Skinnari, Louise Anastasia; Skottowe, Hugh Philip; Skovpen, Kirill; Skubic, Patrick; Skvorodnev, Nikolai; Slater, Mark; Slavicek, Tomas; Sliwa, Krzysztof; Sloper, John erik; Smakhtin, Vladimir; Smirnov, Sergei; Smirnova, Lidia; Smirnova, Oxana; Smith, Ben Campbell; Smith, Douglas; Smith, Kenway; Smizanska, Maria; Smolek, Karel; Snesarev, Andrei; Snow, Steve; Snow, Joel; Snuverink, Jochem; Snyder, Scott; Soares, Mara; Sobie, Randall; Sodomka, Jaromir; Soffer, Abner; Solans, Carlos; Solar, Michael; Solc, Jaroslav; Soldatov, Evgeny; Soldevila, Urmila; Solfaroli Camillocci, Elena; Solodkov, Alexander; Solovyanov, Oleg; Soni, Nitesh; Sopko, Vit; Sopko, Bruno; Sosebee, Mark; Soualah, Rachik; Soukharev, Andrey; Spagnolo, Stefania; Spanò, Francesco; Spighi, Roberto; Spigo, Giancarlo; Spila, Federico; Spiwoks, Ralf; Spousta, Martin; Spreitzer, Teresa; Spurlock, Barry; St Denis, Richard Dante; Stahl, Thorsten; Stahlman, Jonathan; Stamen, Rainer; Stanecka, Ewa; Stanek, Robert; Stanescu, Cristian; Stapnes, Steinar; Starchenko, Evgeny; Stark, Jan; Staroba, Pavel; Starovoitov, Pavel; Staude, Arnold; Stavina, Pavel; Stavropoulos, Georgios; Steele, Genevieve; Steinbach, Peter; Steinberg, Peter; Stekl, Ivan; Stelzer, Bernd; Stelzer, Harald Joerg; Stelzer-Chilton, Oliver; Stenzel, Hasko; Stern, Sebastian; Stevenson, Kyle; Stewart, Graeme; Stillings, Jan Andre; Stockton, Mark; Stoerig, Kathrin; Stoicea, Gabriel; Stonjek, Stefan; Strachota, Pavel; Stradling, Alden; Straessner, Arno; Strandberg, Jonas; Strandberg, Sara; Strandlie, Are; Strang, Michael; Strauss, Emanuel; Strauss, Michael; Strizenec, Pavol; Ströhmer, Raimund; Strom, David; Strong, John; Stroynowski, Ryszard; Strube, Jan; Stugu, Bjarne; Stumer, Iuliu; Stupak, John; Sturm, Philipp; Styles, Nicholas Adam; Soh, Dart-yin; Su, Dong; Subramania, Halasya Siva; Succurro, Antonella; Sugaya, Yorihito; Sugimoto, Takuya; Suhr, Chad; Suita, Koichi; Suk, Michal; Sulin, Vladimir; Sultansoy, Saleh; Sumida, Toshi; Sun, Xiaohu; Sundermann, Jan Erik; Suruliz, Kerim; Sushkov, Serge; Susinno, Giancarlo; Sutton, Mark; Suzuki, Yu; Suzuki, Yuta; Svatos, Michal; Sviridov, Yuri; Swedish, Stephen; Sykora, Ivan; Sykora, Tomas; Szeless, Balazs; Sánchez, Javier; Ta, Duc; Tackmann, Kerstin; Taffard, Anyes; Tafirout, Reda; Taiblum, Nimrod; Takahashi, Yuta; Takai, Helio; Takashima, Ryuichi; Takeda, Hiroshi; Takeshita, Tohru; Takubo, Yosuke; Talby, Mossadek; Talyshev, Alexey; Tamsett, Matthew; Tanaka, Junichi; Tanaka, Reisaburo; Tanaka, Satoshi; Tanaka, Shuji; Tanaka, Yoshito; Tanasijczuk, Andres Jorge; Tani, Kazutoshi; Tannoury, Nancy; Tappern, Geoffrey; Tapprogge, Stefan; Tardif, Dominique; Tarem, Shlomit; Tarrade, Fabien; Tartarelli, Giuseppe Francesco; Tas, Petr; Tasevsky, Marek; Tassi, Enrico; Tatarkhanov, Mous; Tayalati, Yahya; Taylor, Christopher; Taylor, Frank; Taylor, Geoffrey; Taylor, Wendy; Teinturier, Marthe; Teixeira Dias Castanheira, Matilde; Teixeira-Dias, Pedro; Temming, Kim Katrin; Ten Kate, Herman; Teng, Ping-Kun; Terada, Susumu; Terashi, Koji; Terron, Juan; Testa, Marianna; Teuscher, Richard; Thadome, Jocelyn; Therhaag, Jan; Theveneaux-Pelzer, Timothée; Thioye, Moustapha; Thoma, Sascha; Thomas, Juergen; Thompson, Emily; Thompson, Paul; Thompson, Peter; Thompson, Stan; Thomson, Evelyn; Thomson, Mark; Thun, Rudolf; Tian, Feng; Tibbetts, Mark James; Tic, Tomáš; Tikhomirov, Vladimir; Tikhonov, Yury; Timoshenko, Sergey; Tipton, Paul; Tique Aires Viegas, Florbela De Jes; Tisserant, Sylvain; Toczek, Barbara; Todorov, Theodore; Todorova-Nova, Sharka; Toggerson, Brokk; Tojo, Junji; Tokár, Stanislav; Tokunaga, Kaoru; Tokushuku, Katsuo; Tollefson, Kirsten; Tomoto, Makoto; Tompkins, Lauren; Toms, Konstantin; Tong, Guoliang; Tonoyan, Arshak; Topfel, Cyril; Topilin, Nikolai; Torchiani, Ingo; Torrence, Eric; Torres, Heberth; Torró Pastor, Emma; Toth, Jozsef; Touchard, Francois; Tovey, Daniel; Trefzger, Thomas; Tremblet, Louis; Tricoli, Alesandro; Trigger, Isabel Marian; Trincaz-Duvoid, Sophie; Trinh, Thi Nguyet; Tripiana, Martin; Trischuk, William; Trivedi, Arjun; Trocmé, Benjamin; Troncon, Clara; Trottier-McDonald, Michel; Trzebinski, Maciej; Trzupek, Adam; Tsarouchas, Charilaos; Tseng, Jeffrey; Tsiakiris, Menelaos; Tsiareshka, Pavel; Tsionou, Dimitra; Tsipolitis, Georgios; Tsiskaridze, Vakhtang; Tskhadadze, Edisher; Tsukerman, Ilya; Tsulaia, Vakhtang; Tsung, Jieh-Wen; Tsuno, Soshi; Tsybychev, Dmitri; Tua, Alan; Tudorache, Alexandra; Tudorache, Valentina; Tuggle, Joseph; Turala, Michal; Turecek, Daniel; Turk Cakir, Ilkay; Turlay, Emmanuel; Turra, Ruggero; Tuts, Michael; Tykhonov, Andrii; Tylmad, Maja; Tyndel, Mike; Tzanakos, George; Uchida, Kirika; Ueda, Ikuo; Ueno, Ryuichi; Ugland, Maren; Uhlenbrock, Mathias; Uhrmacher, Michael; Ukegawa, Fumihiko; Unal, Guillaume; Underwood, David; Undrus, Alexander; Unel, Gokhan; Unno, Yoshinobu; Urbaniec, Dustin; Usai, Giulio; Uslenghi, Massimiliano; Vacavant, Laurent; Vacek, Vaclav; Vachon, Brigitte; Vahsen, Sven; Valenta, Jan; Valente, Paolo; Valentinetti, Sara; Valkar, Stefan; Valladolid Gallego, Eva; Vallecorsa, Sofia; Valls Ferrer, Juan Antonio; van der Graaf, Harry; van der Kraaij, Erik; Van Der Leeuw, Robin; van der Poel, Egge; van der Ster, Daniel; van Eldik, Niels; van Gemmeren, Peter; van Kesteren, Zdenko; van Vulpen, Ivo; Vanadia, Marco; Vandelli, Wainer; Vandoni, Giovanna; Vaniachine, Alexandre; Vankov, Peter; Vannucci, Francois; Varela Rodriguez, Fernando; Vari, Riccardo; Varnes, Erich; Varouchas, Dimitris; Vartapetian, Armen; Varvell, Kevin; Vassilakopoulos, Vassilios; Vazeille, Francois; Vegni, Guido; Veillet, Jean-Jacques; Vellidis, Constantine; Veloso, Filipe; Veness, Raymond; Veneziano, Stefano; Ventura, Andrea; Ventura, Daniel; Venturi, Manuela; Venturi, Nicola; Vercesi, Valerio; Verducci, Monica; Verkerke, Wouter; Vermeulen, Jos; Vest, Anja; Vetterli, Michel; Vichou, Irene; Vickey, Trevor; Vickey Boeriu, Oana Elena; Viehhauser, Georg; Viel, Simon; Villa, Mauro; Villaplana Perez, Miguel; Vilucchi, Elisabetta; Vincter, Manuella; Vinek, Elisabeth; Vinogradov, Vladimir; Virchaux, Marc; Virzi, Joseph; Vitells, Ofer; Viti, Michele; Vivarelli, Iacopo; Vives Vaque, Francesc; Vlachos, Sotirios; Vladoiu, Dan; Vlasak, Michal; Vlasov, Nikolai; Vogel, Adrian; Vokac, Petr; Volpi, Guido; Volpi, Matteo; Volpini, Giovanni; von der Schmitt, Hans; von Loeben, Joerg; von Radziewski, Holger; von Toerne, Eckhard; Vorobel, Vit; Vorobiev, Alexander; Vorwerk, Volker; Vos, Marcel; Voss, Rudiger; Voss, Thorsten Tobias; Vossebeld, Joost; Vranjes, Nenad; Vranjes Milosavljevic, Marija; Vrba, Vaclav; Vreeswijk, Marcel; Vu Anh, Tuan; Vuillermet, Raphael; Vukotic, Ilija; Wagner, Wolfgang; Wagner, Peter; Wahlen, Helmut; Wakabayashi, Jun; Walbersloh, Jorg; Walch, Shannon; Walder, James; Walker, Rodney; Walkowiak, Wolfgang; Wall, Richard; Waller, Peter; Wang, Chiho; Wang, Haichen; Wang, Hulin; Wang, Jike; Wang, Jin; Wang, Joshua C; Wang, Rui; Wang, Song-Ming; Warburton, Andreas; Ward, Patricia; Warsinsky, Markus; Watkins, Peter; Watson, Alan; Watson, Ian; Watson, Miriam; Watts, Gordon; Watts, Stephen; Waugh, Anthony; Waugh, Ben; Weber, Marc; Weber, Michele; Weber, Pavel; Weidberg, Anthony; Weigell, Philipp; Weingarten, Jens; Weiser, Christian; Wellenstein, Hermann; Wells, Phillippa; Wen, Mei; Wenaus, Torre; Wendler, Shanti; Weng, Zhili; Wengler, Thorsten; Wenig, Siegfried; Wermes, Norbert; Werner, Matthias; Werner, Per; Werth, Michael; Wessels, Martin; Weydert, Carole; Whalen, Kathleen; Wheeler-Ellis, Sarah Jane; Whitaker, Scott; White, Andrew; White, Martin; Whitehead, Samuel Robert; Whiteson, Daniel; Whittington, Denver; Wicek, Francois; Wicke, Daniel; Wickens, Fred; Wiedenmann, Werner; Wielers, Monika; Wienemann, Peter; Wiglesworth, Craig; Wiik-Fuchs, Liv Antje Mari; Wijeratne, Peter Alexander; Wildauer, Andreas; Wildt, Martin Andre; Wilhelm, Ivan; Wilkens, Henric George; Will, Jonas Zacharias; Williams, Eric; Williams, Hugh; Willis, William; Willocq, Stephane; Wilson, John; Wilson, Michael Galante; Wilson, Alan; Wingerter-Seez, Isabelle; Winkelmann, Stefan; Winklmeier, Frank; Wittgen, Matthias; Wolter, Marcin Wladyslaw; Wolters, Helmut; Wong, Wei-Cheng; Wooden, Gemma; Wosiek, Barbara; Wotschack, Jorg; Woudstra, Martin; Wozniak, Krzysztof; Wraight, Kenneth; Wright, Catherine; Wright, Michael; Wrona, Bozydar; Wu, Sau Lan; Wu, Xin; Wu, Yusheng; Wulf, Evan; Wunstorf, Renate; Wynne, Benjamin; Xella, Stefania; Xiao, Meng; Xie, Song; Xie, Yigang; Xu, Chao; Xu, Da; Xu, Guofa; Yabsley, Bruce; Yacoob, Sahal; Yamada, Miho; Yamaguchi, Hiroshi; Yamamoto, Akira; Yamamoto, Kyoko; Yamamoto, Shimpei; Yamamura, Taiki; Yamanaka, Takashi; Yamaoka, Jared; Yamazaki, Takayuki; Yamazaki, Yuji; Yan, Zhen; Yang, Haijun; Yang, Un-Ki; Yang, Yi; Yang, Yi; Yang, Zhaoyu; Yanush, Serguei; Yao, Yushu; Yasu, Yoshiji; Ybeles Smit, Gabriel Valentijn; Ye, Jingbo; Ye, Shuwei; Yilmaz, Metin; Yoosoofmiya, Reza; Yorita, Kohei; Yoshida, Riktura; Young, Charles; Youssef, Saul; Yu, Dantong; Yu, Jaehoon; Yu, Jie; Yuan, Li; Yurkewicz, Adam; Zabinski, Bartlomiej; Zaets, Vassilli; Zaidan, Remi; Zaitsev, Alexander; Zajacova, Zuzana; Zanello, Lucia; Zarzhitsky, Pavel; Zaytsev, Alexander; Zeitnitz, Christian; Zeller, Michael; Zeman, Martin; Zemla, Andrzej; Zendler, Carolin; Zenin, Oleg; Ženiš, Tibor; Zinonos, Zinonas; Zenz, Seth; Zerwas, Dirk; Zevi della Porta, Giovanni; Zhan, Zhichao; Zhang, Dongliang; Zhang, Huaqiao; Zhang, Jinlong; Zhang, Xueyao; Zhang, Zhiqing; Zhao, Long; Zhao, Tianchi; Zhao, Zhengguo; Zhemchugov, Alexey; Zheng, Shuchen; Zhong, Jiahang; Zhou, Bing; Zhou, Ning; Zhou, Yue; Zhu, Cheng Guang; Zhu, Hongbo; Zhu, Junjie; Zhu, Yingchun; Zhuang, Xuai; Zhuravlov, Vadym; Zieminska, Daria; Zimmermann, Robert; Zimmermann, Simone; Zimmermann, Stephanie; Ziolkowski, Michael; Zitoun, Robert; Živković, Lidija; Zmouchko, Viatcheslav; Zobernig, Georg; Zoccoli, Antonio; Zolnierowski, Yves; Zsenei, Andras; zur Nedden, Martin; Zutshi, Vishnu; Zwalinski, Lukasz

    2012-01-01

    This paper presents a measurement of the ordering of charged hadrons in the azimuthal angle relative to the beam axis in high-energy proton-proton collisions at the Large Hadron Collider (LHC). A spectral analysis of correlations between longitudinal and transverse components of the momentum of the charged hadrons, driven by the search for phenomena related to the structure of the QCD field, is performed. Data were recorded with the ATLAS detector at centre-of-mass energies of $\\sqrt{s}$ = 900 GeV and $\\sqrt{s}$ = 7 TeV. The correlations measured in a phase space region dominated by low-pT particles are not well described by conventional models of hadron production. The measured spectra show features consistent with the fragmentation of a QCD string represented by a helix-like ordered gluon chain.

  2. Off-lattice model for the phase behavior of lipid-cholesterol bilayers

    DEFF Research Database (Denmark)

    Nielsen, Morten; Miao, Ling; Ipsen, John Hjorth

    1999-01-01

    and previous approximate theories have suggested that cholesterol incorporated into lipid bilayers has different microscopic effects on lipid-chain packing and conformations and that cholesterol thereby leads to decoupling of the two ordering processes, manifested by a special equilibrium phase, "liquid...

  3. Charge-coupled-device X-ray detector performance model

    Science.gov (United States)

    Bautz, M. W.; Berman, G. E.; Doty, J. P.; Ricker, G. R.

    1987-01-01

    A model that predicts the performance characteristics of CCD detectors being developed for use in X-ray imaging is presented. The model accounts for the interactions of both X-rays and charged particles with the CCD and simulates the transport and loss of charge in the detector. Predicted performance parameters include detective and net quantum efficiencies, split-event probability, and a parameter characterizing the effective thickness presented by the detector to cosmic-ray protons. The predicted performance of two CCDs of different epitaxial layer thicknesses is compared. The model predicts that in each device incomplete recovery of the charge liberated by a photon of energy between 0.1 and 10 keV is very likely to be accompanied by charge splitting between adjacent pixels. The implications of the model predictions for CCD data processing algorithms are briefly discussed.

  4. Rapid Estimation Method for State of Charge of Lithium-Ion Battery Based on Fractional Continual Variable Order Model

    Directory of Open Access Journals (Sweden)

    Xin Lu

    2018-03-01

    Full Text Available In recent years, the fractional order model has been employed to state of charge (SOC estimation. The non integer differentiation order being expressed as a function of recursive factors defining the fractality of charge distribution on porous electrodes. The battery SOC affects the fractal dimension of charge distribution, therefore the order of the fractional order model varies with the SOC at the same condition. This paper proposes a new method to estimate the SOC. A fractional continuous variable order model is used to characterize the fractal morphology of charge distribution. The order identification results showed that there is a stable monotonic relationship between the fractional order and the SOC after the battery inner electrochemical reaction reaches balanced. This feature makes the proposed model particularly suitable for SOC estimation when the battery is in the resting state. Moreover, a fast iterative method based on the proposed model is introduced for SOC estimation. The experimental results showed that the proposed iterative method can quickly estimate the SOC by several iterations while maintaining high estimation accuracy.

  5. First order and second order fermi acceleration of energetic charged particles by shock waves

    International Nuclear Information System (INIS)

    Webb, G.M.

    1983-01-01

    Steady state solutions of the cosmic ray transport equation describing first order Fermi acceleration of energetic charged particles at a plane shock (without losses) and second order Fermi acceleration in the downstream region of the shock are derived. The solutions for the isotropic part of the phase space distribution function are expressible as eigenfunction expansions, being superpositions of series of power law momentum spectra, with the power law indices being the roots of an eigenvalue equation. The above exact analytic solutions are for the case where the spatial diffusion coefficient kappa is independent of momentum. The solutions in general depend on the shock compression ratio, the modulation parameters V 1 L/kappa 1 , V 2 L/kappa 2 (V is the plasma velocity, kappa is the energetic particle diffusion coefficient, and L a characteristic length over which second order Fermi acceleration is effective) in the upstream and downstream regions of the shock, respectively, and also on a further dimensionless parameter, zeta, characterizing second order Fermi acceleration. In the limit as zeta→0 (no second order Fermi acceleration) the power law momentum spectrum characteristic of first order Fermi acceleration (depending only on the shock compression ratio) obtained previously is recovered. Perturbation solutions for the case where second order Fermi effects are small, and for realistic diffusion coefficients (kappainfinityp/sup a/, a>0, p = particle momentum), applicable at high momenta, are also obtained

  6. Exchange anisotropy and micromagnetic properties of PtMn/NiFe bilayers

    International Nuclear Information System (INIS)

    Pokhil, Taras; Linville, Eric; Mao, Sining

    2001-01-01

    Magnetic microstructure, exchange induced uniaxial and unidirectional anisotropy and structural transformation have been studied in PtMn/NiFe bilayer films and small elements as a function of annealing time. The relationship between the fcc-fct ordering phase transformation in PtMn and the development of exchange induced magnetic properties in PtMn/NiFe bilayers is complicated by the fact that the transformation occurs throughout the entire volume of the PtMn film, while the exchange between the layers is predominantly an interface effect. Consequently, the development of the exchange anisotropy should depend primarily on the character of the structural transformation at the interface between PtMn and NiFe. The purpose of this article is to correlate the volume phase transformation in PtMn to the development of exchange anisotropy and micromagnetic behavior in PtMn/NiFe bilayers. The interface structure can be inferred from the anisotropy and micromagnetic measurements, leading to a model that explains the relationship between the volume and interface transformation structures in PtMn, and magnetic properties of the bilayers. The structure and magnetic properties were characterized by x-ray diffraction, vibrating sample magnetometry, and magnetic force microscopy. [copyright] 2001 American Institute of Physics

  7. Interfacial electrostatics of poly(vinylamine hydrochloride), poly(diallyldimethylammonium chloride), poly-l-lysine, and poly-l-arginine interacting with lipid bilayers.

    Science.gov (United States)

    McGeachy, A C; Dalchand, N; Caudill, E R; Li, T; Doğangün, M; Olenick, L L; Chang, H; Pedersen, J A; Geiger, F M

    2018-04-25

    Charge densities of cationic polymers adsorbed to lipid bilayers are estimated from second harmonic generation (SHG) spectroscopy and quartz crystal microbalance with dissipation monitoring (QCM-D) measurements. The systems surveyed included poly(vinylamine hydrochloride) (PVAm), poly(diallyldimethylammonium chloride) (PDADMAC), poly-l-lysine (PLL), and poly-l-arginine (PLR), as well as polyalcohol controls. Upon accounting for the number of positive charges associated with each polyelectrolyte, the binding constants and apparent free energies of adsorption as estimated from SHG data are comparable despite differences in molecular masses and molecular structure, with ΔGads values of -61 ± 2, -58 ± 2, -57 ± 1, -52 ± 2, -52 ± 1 kJ mol-1 for PDADMAC400, PDADMAC100, PVAm, PLL, and PLR, respectively. Moreover, we find charge densities for polymer adlayers of approximately 0.3 C m-2 for poly(diallyldimethylammonium chloride) while those of poly(vinylamine) hydrochloride, poly-l-lysine, and poly-l-arginine are approximately 0.2 C m-2. Time-dependent studies indicate that polycation adsorption to supported lipid bilayers is only partially reversible for most of the polymers explored. Poly(diallyldimethylammonium chloride) does not demonstrate reversible binding even over long timescales (>8 hours).

  8. Plasmon-Sensitized Graphene/TiO2 Inverse Opal Nanostructures with Enhanced Charge Collection Efficiency for Water Splitting.

    Science.gov (United States)

    Boppella, Ramireddy; Kochuveedu, Saji Thomas; Kim, Heejun; Jeong, Myung Jin; Marques Mota, Filipe; Park, Jong Hyeok; Kim, Dong Ha

    2017-03-01

    In this contribution we have developed TiO 2 inverse opal based photoelectrodes for photoelectrochemical (PEC) water splitting devices, in which Au nanoparticles (NPs) and reduced graphene oxide (rGO) have been strategically incorporated (TiO 2 @rGO@Au). The periodic hybrid nanostructure showed a photocurrent density of 1.29 mA cm -2 at 1.23 V vs RHE, uncovering a 2-fold enhancement compared to a pristine TiO 2 reference. The Au NPs were confirmed to extensively broaden the absorption spectrum of TiO 2 into the visible range and to reduce the onset potential of these photoelectrodes. Most importantly, TiO 2 @rGO@Au hybrid exhibited a 14-fold enhanced PEC efficiency under visible light and a 2.5-fold enrichment in the applied bias photon-to-current efficiency at much lower bias potential compared with pristine TiO 2 . Incident photon-to-electron conversion efficiency measurements highlighted a synergetic effect between Au plasmon sensitization and rGO-mediated facile charge separation/transportation, which is believed to significantly enhance the PEC activity of these nanostructures under simulated and visible light irradiation. Under the selected operating conditions the incorporation of Au NPs and rGO into TiO 2 resulted in a remarkable boost in the H 2 evolution rate (17.8 μmol/cm 2 ) compared to a pristine TiO 2 photoelectrode reference (7.6 μmol/cm 2 ). In line with these results and by showing excellent stability as a photoelectrode, these materials are herin underlined to be of promising interest in the PEC water splitting reaction.

  9. Mixed Mechanism of Lubrication by Lipid Bilayer Stacks.

    Science.gov (United States)

    Boţan, Alexandru; Joly, Laurent; Fillot, Nicolas; Loison, Claire

    2015-11-10

    Although the key role of lipid bilayer stacks in biological lubrication is generally accepted, the mechanisms underlying their extreme efficiency remain elusive. In this article, we report molecular dynamics simulations of lipid bilayer stacks undergoing load and shear. When the hydration level is reduced, the velocity accommodation mechanism changes from viscous shear in hydration water to interlayer sliding in the bilayers. This enables stacks of hydrated lipid bilayers to act as efficient boundary lubricants for various hydration conditions, structures, and mechanical loads. We also propose an estimation for the friction coefficient; thanks to the strong hydration forces between lipid bilayers, the high local viscosity is not in contradiction with low friction coefficients.

  10. Peierls instability and optical properties of bilayer polyacene

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Longlong, E-mail: zhanglonglong@tyut.edu.cn [The College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); Xie, Shijie [School of Physics, Shandong University, Jinan 250100 (China)

    2017-05-03

    Highlights: • The Peierls instability of bilayer polyacene is discussed. • The external electric field effect on bilayer polyacene is discussed. • The pressure effect on bilayer polyacene is discussed. • The optical properties of bilayer polyacene are discussed. - Abstract: We reveal that bilayer polyacene can be the gapped state due to the intralayer Peierls instability. There are six topologically inequivalent Peierls-distorted structures and they are degenerate in energy. The external electric field can tune the Peierls gap and induce the semiconductor-to-metallic phase transitions. The optical conductivity spectra are calculated in an attempt to categorize the Peierls-distorted structures. The strength of the interlayer coupling essentially affects the electronic properties and the optical selection rules.

  11. Infrared spectroscopy of fluid lipid bilayers.

    Science.gov (United States)

    Hull, Marshall C; Cambrea, Lee R; Hovis, Jennifer S

    2005-09-15

    Infrared spectroscopy is a powerful technique for examining lipid bilayers; however, it says little about the fluidity of the bilayer-a key physical aspect. It is shown here that it is possible to both acquire spectroscopic data of supported lipid bilayer samples and make measurements of the membrane fluidity. Attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FT-IR) is used to obtain the spectroscopic information and fluorescence recovery after photobleaching (FRAP) is used to determine the fluidity of the samples. In the infrared spectra of lipid bilayers composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, the following major peaks were observed; nu(as)(CH3) 2954 cm(-1), nu(s)(CH3) 2870 cm(-1), nu(as)(CH2) 2924 cm(-1), nu(s)(CH2) 2852 cm(-1), nu(C=O) 1734 cm(-1), delta(CH2) 1463-1473 cm(-1), nu(as)(PO2-) 1226 cm(-1), nu(s)(PO2-) 1084 cm(-1), and nu(as)(N+(CH3)3) 973 cm(-1). The diffusion coefficient of the same lipid bilayer was measured to be 3.5 +/- 0.5 micom(2)/s with visual recovery also noted through use of epifluorescence microscopy. FRAP and visual data confirm the formation of a uniform, mobile supported lipid bilayer. The combination of ATR-FT-IR and FRAP provides complementary data giving a more complete picture of fully hydrated model membrane systems.

  12. Paramagnetic fluctuations in Pr0.65Ca0.35MnO3 around the charge-ordering temperature

    International Nuclear Information System (INIS)

    Daoud-Aladine, A; Roessli, B; Gvasaliya, S N; Perca, C; Pinsard-Gaudart, L; Rodriguez-Carvajal, J; Revcolevschi, A

    2006-01-01

    We have studied the ferromagnetic and antiferromagnetic fluctuations in the charge-ordered Pr 0.65 Ca 0.35 MnO 3 antiferromagnet by triple-axis neutron spectrometry. Whereas ferromagnetic fluctuations are observed above and below the charge-ordering transition (T CO ), the antiferromagnetic fluctuations develop only below T CO . The dynamical exponent z of both ferromagnetic and antiferromagnetic fluctuations are determined. The ferromagnetic fluctuations are not completely suppressed below T CO and their correlation lengths are short-ranged at all temperatures. The results are discussed with respect to the Zener polaron model recently introduced to describe the charge-ordered state of Pr 0.6 Ca 0.40 MnO 3

  13. Cholesterol effect on water permeability through DPPC and PSM lipid bilayers: a molecular dynamics study.

    Science.gov (United States)

    Saito, Hiroaki; Shinoda, Wataru

    2011-12-29

    Water permeability of two different lipid bilayers of dipalmitoylphosphatidylcholine (DPPC) and palmitoylsphingomyelin (PSM) in the absence and presence of cholesterol (0-50 mol %) have been studied by molecular dynamics simulations to elucidate the molecular mechanism of the reduction in water leakage across the membranes by the addition of cholesterol. An enhanced free energy barrier was observed in these membranes with increased cholesterol concentration, and this was explained by the reduced cavity density around the cholesterol in the hydrophobic membrane core. There was an increase of trans conformers in the hydrophobic lipid chains adjacent to the cholesterol, which reduced the cavity density. The enhanced free energy barrier was found to be the main reason to reduce the water permeability with increased cholesterol concentration. At low cholesterol concentrations the PSM bilayer exhibited a higher free energy barrier than the DPPC bilayer for water permeation, while at greater than 30 mol % of cholesterol the difference became minor. This tendency for the PSM and DPPC bilayers to resemble each other at higher cholesterol concentrations was similar to commonly observed trends in several structural properties, such as order parameters, cross-sectional area per molecule, and cavity density profiles in the hydrophobic regions of bilayer membranes. These results demonstrate that DPPC and PSM bilayers with high cholesterol contents possess similar physical properties, which suggests that the solubility of cholesterol in these lipid bilayers has importance for an understanding of multicomponent lipid membranes with cholesterol. © 2011 American Chemical Society

  14. Viscoelastic deformation of lipid bilayer vesicles.

    Science.gov (United States)

    Wu, Shao-Hua; Sankhagowit, Shalene; Biswas, Roshni; Wu, Shuyang; Povinelli, Michelle L; Malmstadt, Noah

    2015-10-07

    Lipid bilayers form the boundaries of the cell and its organelles. Many physiological processes, such as cell movement and division, involve bending and folding of the bilayer at high curvatures. Currently, bending of the bilayer is treated as an elastic deformation, such that its stress-strain response is independent of the rate at which bending strain is applied. We present here the first direct measurement of viscoelastic response in a lipid bilayer vesicle. We used a dual-beam optical trap (DBOT) to stretch 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) giant unilamellar vesicles (GUVs). Upon application of a step optical force, the vesicle membrane deforms in two regimes: a fast, instantaneous area increase, followed by a much slower stretching to an eventual plateau deformation. From measurements of dozens of GUVs, the average time constant of the slower stretching response was 0.225 ± 0.033 s (standard deviation, SD). Increasing the fluid viscosity did not affect the observed time constant. We performed a set of experiments to rule out heating by laser absorption as a cause of the transient behavior. Thus, we demonstrate here that the bending deformation of lipid bilayer membranes should be treated as viscoelastic.

  15. Embryo splitting

    Directory of Open Access Journals (Sweden)

    Karl Illmensee

    2010-04-01

    Full Text Available Mammalian embryo splitting has successfully been established in farm animals. Embryo splitting is safely and efficiently used for assisted reproduction in several livestock species. In the mouse, efficient embryo splitting as well as single blastomere cloning have been developed in this animal system. In nonhuman primates embryo splitting has resulted in several pregnancies. Human embryo splitting has been reported recently. Microsurgical embryo splitting under Institutional Review Board approval has been carried out to determine its efficiency for blastocyst development. Embryo splitting at the 6–8 cell stage provided a much higher developmental efficiency compared to splitting at the 2–5 cell stage. Embryo splitting may be advantageous for providing additional embryos to be cryopreserved and for patients with low response to hormonal stimulation in assisted reproduction programs. Social and ethical issues concerning embryo splitting are included regarding ethics committee guidelines. Prognostic perspectives are presented for human embryo splitting in reproductive medicine.

  16. TTF/TCNQ-based thin films and microcrystals. Growth and charge transport phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Solovyeva, Vita

    2011-05-26

    The thesis adresses several problems related to growth and charge transport phenomena in thin films of TTF-TCNQ and (BEDT-TTF)TCNQ. The following main new problems are addressed: - The influence of thin-film specific factors, such as the substrate material and growth-induced defects, on the Peierls transition temperature in TTF-TCNQ thin films was studied; - finite-size effects in TTF-TCNQ were investigated by considering transport properties in TTF-TCNQ microcrystals. The influence of the size of the crystal on the Peierls transition temperature was studied. In this context a new method of microcontact fabrication was employed to favor the measurements; - an analysis of radiation-induced defects in TTF-TCNQ thin films and microcrystals was performed. It was demonstrated than an electron beam can induce appreciable damage to the sample such that its electronic properties are strongly modified; - a bilayer growth method was established to fabricate (BEDT-TTF)TCNQ from the gas phase. This newly developed bilayer growth method was showed to be suitable for testing (BEDT-TTF)TCNQ charge-transfer phase formation; - the structure of the formed (BEDT-TTF)TCNQ charge-transfer compounds was analyzed by using a wide range of experimental techniques. An overview and the description of the basic physical principles underlying charge-transfer compounds is given in chapter 2. Experimental techniques used for the growth and characterization of thin films and microcrystals are presented in chapter 3. Chapter 4 gives an overview of the physical properties of the studied organic materials. Chapter 5 discussed the experimental study of TTF-TCNQ thin films. he Peierls transition in TTF-TCNQ is a consequence of the quasi-one-dimensional structure of the material and depends on different factors, studied in chapters 5 and 6. In contradistinction to TTF-TTCNQ, the (BEDT-TTF)TCNQ charge-transfer compound crystallizes in several different modifications with different physical properties

  17. K-intercalated carbon systems: Effects of dimensionality and substrate

    KAUST Repository

    Kaloni, Thaneshwor P.

    2012-06-01

    Density functional theory is employed to investigate the electronic properties of K-intercalated carbon systems. Young\\'s modulus indicates that the intercalation increases the intrinsic stiffness. For K-intercalated bilayer graphene on SiC(0001) the Dirac cone is maintained, whereas a trilayer configuration exhibits a small splitting at the Dirac point. Interestingly, in contrast to many other intercalated carbon systems, the presence of the SiC(0001) substrate does not suppress but rather enhances the charge carrier density. Reasonably high values are found for all systems, the highest carrier density for the bilayer. The band structure and electron-phonon coupling of free-standing K-intercalated bilayer graphene points to a high probability for superconductivity in this system. © 2012 Europhysics Letters Association.

  18. Study of the tensor correlation in a neutron-rich sd-shell region with the charge- and parity-projected Hartree-Fock method

    International Nuclear Information System (INIS)

    Sugimoto, Satoru; Toki, Hiroshi; Ikeda, Kiyomi

    2008-01-01

    We study the effect of the tensor force on nuclear structure with mean-field and beyond-mean-field methods. An important correlation induced by the tensor force is two-particle-two-hole (2p2h) correlation, which cannot be treated with a usual mean-filed method. To treat the 2p2h tensor correlation, we develop a new framework (charge- and parity-projected Hartree-Fock (CPPHF) method), which is a beyond-mean-field method. In the CPPHF method, we introduce single-particle states with parity and charge mixing. The parity and charge projections are performed on a total wave function before variation. We apply the CPPHF method to oxygen isotopes including neutron-rich ones. The potential energy from the tensor force has the same order of magnitude with that from the LS force and becomes smaller with neutron number, which indicates that excess neutrons do not contribute to the 2p2h tensor correlation significantly. We also study the effect of the tensor force on spin-orbit-splitting (ls-splitting) in a neutron-rich fluorine isotope 23 F. The tensor force reduces the ls-splitting for the proton d-orbits by about 3 MeV. This effect is important to reproduce the experimental value. We also find that the 2p2h tensor correlation does not affect the ls-splitting in 23 F

  19. On Higgs-exchange DIS, physical evolution kernels and fourth-order splitting functions at large x

    International Nuclear Information System (INIS)

    Soar, G.; Vogt, A.; Vermaseren, J.A.M.

    2009-12-01

    We present the coefficient functions for deep-inelastic scattering (DIS) via the exchange of a scalar φ directly coupling only to gluons, such as the Higgs boson in the limit of a very heavy top quark and n f effectively massless light flavours, to the third order in perturbative QCD. The two-loop results are employed to construct the next-to-next-to-leading order physical evolution kernels for the system (F 2 ,F φ ) of flavour-singlet structure functions. The practical relevance of these kernels as an alternative to MS factorization is bedevilled by artificial double logarithms at small values of the scaling variable x, where the large top-mass limit ceases to be appropriate. However, they show an only single-logarithmic enhancement at large x. Conjecturing that this feature persists to the next order also in the present singlet case, the three-loop coefficient functions facilitate exact predictions (backed up by their particular colour structure) of the double-logarithmic contributions to the fourth-order singlet splitting functions, i.e., of the terms (1-x) a ln k (1-x) with k=4,5,6 and k=3,4,5, respectively, for the off-diagonal and diagonal quantities to all powers a in (1-x). (orig.)

  20. Exchange bias effect in L10-ordered FePt and FeCo-based bilayer structure: effect of increasing applied field

    Science.gov (United States)

    Singh, Sadhana; Kumar, Dileep; Bhagat, Babli; Choudhary, R. J.; Reddy, V. R.; Gupta, Ajay

    2018-02-01

    The applied magnetic field (H APP) dependence of the exchange bias (EB) is studied in an exchange-coupled thin-film bilayer composed of a hard ferromagnetic FePt layer in the proximity of a soft ferromagnetic FeCo layer. FePt/FeCo structure is deposited in an ultra-high vacuum chamber, where the FePt layer was first annealed at 823 K for 30 min and subsequently cooled to room temperature in the presence of an in-plane magnetic field, H MAX ~ 1.5 kOe to promote L10-ordered hard magnetic phase with magnetic moments aligned in one of the in-plane directions in the FePt layer. In-situ magneto-optical Kerr effect measurements during different stages of bilayer growth and detailed ex-situ superconducting quantum interference device-vibrating sample magnetometer measurements jointly revealed that due to the interplay between exchange coupling at the interface and dipolar energies of the saturated hard FePt layer, a hysteresis loop of FeCo layer shifts along the magnetic field axis. A clear dependence of EB field (H EB) on increasing maximum value of the H APP during the hysteresis loop measurement is understood in terms of the magnetic state of soft and hard magnetic layers, where EB increases with increasing H APP until the hard layer moment remains undisturbed in its remanence state. As soon as the field was sufficient to rotate the spins of the FePt layer, the loop became symmetric with respect to the field axis.

  1. Robustness of the charge-ordered phases in IrTe2 against photoexcitation

    Science.gov (United States)

    Monney, C.; Schuler, A.; Jaouen, T.; Mottas, M.-L.; Wolf, Th.; Merz, M.; Muntwiler, M.; Castiglioni, L.; Aebi, P.; Weber, F.; Hengsberger, M.

    2018-02-01

    We present a time-resolved angle-resolved photoelectron spectroscopy study of IrTe2, which undergoes two first-order structural and charge-ordered phase transitions on cooling below 270 K and below 180 K. The possibility of inducing a phase transition by photoexcitation with near-infrared femtosecond pulses is investigated in the charge-ordered phases. We observe changes of the spectral function occurring within a few hundreds of femtoseconds and persisting up to several picoseconds, which we interpret as a partial photoinduced phase transition (PIPT). The necessary time for photoinducing these spectral changes increases with increasing photoexcitation density and reaches time scales longer than the rise time of the transient electronic temperature. We conclude that the PIPT is driven by a transient increase of the lattice temperature following the energy transfer from the electrons. However, the photoinduced changes of the spectral function are small, which indicates that the low-temperature phase is particularly robust against photoexcitation. We suggest that the system might be trapped in an out-of-equilibrium state, for which only a partial structural transition is achieved.

  2. Timelike single-logarithm-resummed splitting functions

    Energy Technology Data Exchange (ETDEWEB)

    Albino, S.; Bolzoni, P.; Kniehl, B.A. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Kotikov, A.V. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Joint Inst. of Nuclear Research, Moscow (Russian Federation). Bogoliubov Lab. of Theoretical Physics

    2011-08-15

    We calculate the single logarithmic contributions to the quark singlet and gluon matrix of timelike splitting functions at all orders in the modified minimal-subtraction (MS) scheme. We fix two of the degrees of freedom of this matrix from the analogous results in the massive-gluon regularization scheme by using the relation between that scheme and the MS scheme. We determine this scheme transformation from the double logarithmic contributions to the timelike splitting functions and the coefficient functions of inclusive particle production in e{sup +}e{sup -} annihilation now available in both schemes. The remaining two degrees of freedom are fixed by reasonable physical assumptions. The results agree with the fixed-order results at next-to-next-to-leading order in the literature. (orig.)

  3. Spin polarized and density modulated phases in symmetric electron-electron and electron-hole bilayers.

    Science.gov (United States)

    Kumar, Krishan; Moudgil, R K

    2012-10-17

    We have studied symmetric electron-electron and electron-hole bilayers to explore the stable homogeneous spin phase and the feasibility of inhomogeneous charge-/spin-density ground states. The former is resolved by comparing the ground-state energies in states of different spin polarizations, while the latter is resolved by searching for a divergence in the wavevector-dependent static charge/spin susceptibility. For this endeavour, we have used the dielectric approach within the self-consistent mean-field theory of Singwi et al. We find that the inter-layer interactions tend to change an abrupt spin-polarization transition of an isolated layer into a nearly gradual one, even though the partially spin-polarized phases are not clearly stable within the accuracy of our calculation. The transition density is seen to decrease with a reduction in layer spacing, implying a suppression of spin polarization by inter-layer interactions. Indeed, the suppression shows up distinctly in the spin susceptibility computed from the spin-polarization dependence of the ground-state energy. However, below a critical layer spacing, the unpolarized liquid becomes unstable against a charge-density-wave (CDW) ground state at a density preceding full spin polarization, with the transition density for the CDW state increasing on further reduction in the layer spacing. Due to attractive e-h correlations, the CDW state is found to be more pronounced in the e-h bilayer. On the other hand, the static spin susceptibility diverges only in the long-wavelength limit, which simply represents a transition to the homogeneous spin-polarized phase.

  4. A new fourth-order Fourier-Bessel split-step method for the extended nonlinear Schroedinger equation

    International Nuclear Information System (INIS)

    Nash, Patrick L.

    2008-01-01

    Fourier split-step techniques are often used to compute soliton-like numerical solutions of the nonlinear Schroedinger equation. Here, a new fourth-order implementation of the Fourier split-step algorithm is described for problems possessing azimuthal symmetry in 3 + 1-dimensions. This implementation is based, in part, on a finite difference approximation Δ perpendicular FDA of 1/r (∂)/(∂r) r(∂)/(∂r) that possesses an associated exact unitary representation of e i/2λΔ perpendicular FDA . The matrix elements of this unitary matrix are given by special functions known as the associated Bessel functions. Hence the attribute Fourier-Bessel for the method. The Fourier-Bessel algorithm is shown to be unitary and unconditionally stable. The Fourier-Bessel algorithm is employed to simulate the propagation of a periodic series of short laser pulses through a nonlinear medium. This numerical simulation calculates waveform intensity profiles in a sequence of planes that are transverse to the general propagation direction, and labeled by the cylindrical coordinate z. These profiles exhibit a series of isolated pulses that are offset from the time origin by characteristic times, and provide evidence for a physical effect that may be loosely termed normal mode condensation. Normal mode condensation is consistent with experimentally observed pulse filamentation into a packet of short bursts, which may occur as a result of short, intense irradiation of a medium

  5. Accurate determination of the charge transfer efficiency of photoanodes for solar water splitting.

    Science.gov (United States)

    Klotz, Dino; Grave, Daniel A; Rothschild, Avner

    2017-08-09

    The oxygen evolution reaction (OER) at the surface of semiconductor photoanodes is critical for photoelectrochemical water splitting. This reaction involves photo-generated holes that oxidize water via charge transfer at the photoanode/electrolyte interface. However, a certain fraction of the holes that reach the surface recombine with electrons from the conduction band, giving rise to the surface recombination loss. The charge transfer efficiency, η t , defined as the ratio between the flux of holes that contribute to the water oxidation reaction and the total flux of holes that reach the surface, is an important parameter that helps to distinguish between bulk and surface recombination losses. However, accurate determination of η t by conventional voltammetry measurements is complicated because only the total current is measured and it is difficult to discern between different contributions to the current. Chopped light measurement (CLM) and hole scavenger measurement (HSM) techniques are widely employed to determine η t , but they often lead to errors resulting from instrumental as well as fundamental limitations. Intensity modulated photocurrent spectroscopy (IMPS) is better suited for accurate determination of η t because it provides direct information on both the total photocurrent and the surface recombination current. However, careful analysis of IMPS measurements at different light intensities is required to account for nonlinear effects. This work compares the η t values obtained by these methods using heteroepitaxial thin-film hematite photoanodes as a case study. We show that a wide spread of η t values is obtained by different analysis methods, and even within the same method different values may be obtained depending on instrumental and experimental conditions such as the light source and light intensity. Statistical analysis of the results obtained for our model hematite photoanode show good correlation between different methods for

  6. Dynamic patterns in a supported lipid bilayer driven by standing surface acoustic waves.

    Science.gov (United States)

    Hennig, Martin; Neumann, Jürgen; Wixforth, Achim; Rädler, Joachim O; Schneider, Matthias F

    2009-11-07

    In the past decades supported lipid bilayers (SLBs) have been an important tool in order to study the physical properties of biological membranes and cells. So far, controlled manipulation of SLBs is very limited. Here we present a new technology to create lateral patterns in lipid membranes controllable in both space and time. Surface acoustic waves (SAWs) are used to generate lateral standing waves on a piezoelectric substrate which create local "traps" in the lipid bilayer and lead to a lateral modulation in lipid concentration. We demonstrate that pattern formation is reversible and does not affect the integrity of the lipid bilayer as shown by extracting the diffusion constant of fluid membranes. The described method could possibly be used to design switchable interfaces for the lateral transport and organization of membrane bound macromolecules to create dynamic bioarrays and control biofilm formation.

  7. Engineering plant membranes using droplet interface bilayers.

    Science.gov (United States)

    Barlow, N E; Smpokou, E; Friddin, M S; Macey, R; Gould, I R; Turnbull, C; Flemming, A J; Brooks, N J; Ces, O; Barter, L M C

    2017-03-01

    Droplet interface bilayers (DIBs) have become widely recognised as a robust platform for constructing model membranes and are emerging as a key technology for the bottom-up assembly of synthetic cell-like and tissue-like structures. DIBs are formed when lipid-monolayer coated water droplets are brought together inside a well of oil, which is excluded from the interface as the DIB forms. The unique features of the system, compared to traditional approaches (e.g., supported lipid bilayers, black lipid membranes, and liposomes), is the ability to engineer multi-layered bilayer networks by connecting multiple droplets together in 3D, and the capability to impart bilayer asymmetry freely within these droplet architectures by supplying droplets with different lipids. Yet despite these achievements, one potential limitation of the technology is that DIBs formed from biologically relevant components have not been well studied. This could limit the reach of the platform to biological systems where bilayer composition and asymmetry are understood to play a key role. Herein, we address this issue by reporting the assembly of asymmetric DIBs designed to replicate the plasma membrane compositions of three different plant species; Arabidopsis thaliana , tobacco, and oats, by engineering vesicles with different amounts of plant phospholipids, sterols and cerebrosides for the first time. We show that vesicles made from our plant lipid formulations are stable and can be used to assemble asymmetric plant DIBs. We verify this using a bilayer permeation assay, from which we extract values for absolute effective bilayer permeation and bilayer stability. Our results confirm that stable DIBs can be assembled from our plant membrane mimics and could lead to new approaches for assembling model systems to study membrane translocation and to screen new agrochemicals in plants.

  8. Molecular dynamics modelling of EGCG clusters on ceramide bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Yeo, Jingjie; Cheng, Yuan; Li, Weifeng; Zhang, Yong-Wei [Institute of High Performance Computing, A*STAR, 138632 (Singapore)

    2015-12-31

    A novel method of atomistic modelling and characterization of both pure ceramide and mixed lipid bilayers is being developed, using only the General Amber ForceField. Lipid bilayers modelled as pure ceramides adopt hexagonal packing after equilibration, and the area per lipid and bilayer thickness are consistent with previously reported theoretical results. Mixed lipid bilayers are modelled as a combination of ceramides, cholesterol, and free fatty acids. This model is shown to be stable after equilibration. Green tea extract, also known as epigallocatechin-3-gallate, is introduced as a spherical cluster on the surface of the mixed lipid bilayer. It is demonstrated that the cluster is able to bind to the bilayers as a cluster without diffusing into the surrounding water.

  9. Mobility gap and quantum transport in a functionalized graphene bilayer

    Science.gov (United States)

    Missaoui, Ahmed; Jemaa Khabthani, Jouda; Jaidane, Nejm-Eddine; Mayou, Didier; Trambly de Laissardière, Guy

    2018-05-01

    In a Bernal graphene bilayer, carbon atoms belong to two inequivalent sublattices A and B, with atoms that are coupled to the other layer by bonds belonging to sublattice A and the other atoms belonging to sublattice B. We analyze the density of states and the conductivity of Bernal graphene bilayers when atoms of sublattice A or B only are randomly functionalized. We find that for a selective functionalization on sublattice B only, a mobility gap of the order of 0.5 eV is formed close to the Dirac energy at concentration of adatoms . In addition, at some other energies conductivity presents anomalous behaviors. We show that these properties are related to the bipartite structure of the graphene layer.

  10. Interaction of elaiophylin with model bilayer membrane

    Science.gov (United States)

    Genova, J.; Dencheva-Zarkova, M.

    2017-01-01

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

  11. Pair interaction of bilayer-coated nanoscopic particles

    International Nuclear Information System (INIS)

    Qi-Yi, Zhang

    2009-01-01

    The pair interaction between bilayer membrane-coated nanosized particles has been explored by using the self-consistent field (SCF) theory. The bilayer membranes are composed of amphiphilic polymers. For different system parameters, the pair-interaction free energies are obtained. Particular emphasis is placed on the analysis of a sequence of structural transformations of bilayers on spherical particles, which occur during their approaching processes. For different head fractions of amphiphiles, the asymmetrical morphologies between bilayers on two particles and the inverted micellar intermediates have been found in the membrane fusion pathway. These results can benefit the fabrication of vesicles as encapsulation vectors for drug and gene delivery. (condensed matter: structure, thermal and mechanical properties)

  12. Improper ferroelectric polarization in a perovskite driven by intersite charge transfer and ordering

    Science.gov (United States)

    Chen, Wei-Tin; Wang, Chin-Wei; Wu, Hung-Cheng; Chou, Fang-Cheng; Yang, Hung-Duen; Simonov, Arkadiy; Senn, M. S.

    2018-04-01

    It is of great interest to design and make materials in which ferroelectric polarization is coupled to other order parameters such as lattice, magnetic, and electronic instabilities. Such materials will be invaluable in next-generation data storage devices. Recently, remarkable progress has been made in understanding improper ferroelectric coupling mechanisms that arise from lattice and magnetic instabilities. However, although theoretically predicted, a compact lattice coupling between electronic and ferroelectric (polar) instabilities has yet to be realized. Here we report detailed crystallographic studies of a perovskite HgAMn3A'Mn4BO12 that is found to exhibit a polar ground state on account of such couplings that arise from charge and orbital ordering on both the A'- and B-sites, which are themselves driven by a highly unusual MnA '-MnB intersite charge transfer. The inherent coupling of polar, charge, orbital, and hence magnetic degrees of freedom make this a system of great fundamental interest, and demonstrating ferroelectric switching in this and a host of recently reported hybrid improper ferroelectrics remains a substantial challenge.

  13. Possible mechanism of adhesion in a mica supported phospholipid bilayer

    International Nuclear Information System (INIS)

    Pertsin, Alexander; Grunze, Michael

    2014-01-01

    Phospholipid bilayers supported on hydrophilic solids like silica and mica play a substantial role in fundamental studies and technological applications of phospholipid membranes. In both cases the molecular mechanism of adhesion between the bilayer and the support is of primary interest. Since the possibilities of experimental methods in this specific area are rather limited, the methods of computer simulation acquire great importance. In this paper we use the grand canonical Monte Carlo technique and an atomistic force field to simulate the behavior of a mica supported phospholipid bilayer in pure water as a function of the distance between the bilayer and the support. The simulation reveals a possible adhesion mechanism, where the adhesion is due to individual lipid molecules that protrude from the bilayer and form widely spaced links with the support. Simultaneously, the bilayer remains separated from the bilayer by a thin water interlayer which maintains the bilayer fluidity

  14. Rashba split surface states in BiTeBr

    International Nuclear Information System (INIS)

    Eremeev, S V; Rusinov, I P; Nechaev, I A; Chulkov, E V

    2013-01-01

    Within density functional theory, we study the bulk band structure and surface states of BiTeBr. We consider both ordered and disordered phases, which differ in atomic order in the Te–Br sublattice. On the basis of relativistic ab initio calculations, we show that the ordered BiTeBr is energetically preferable as compared with the disordered one. We demonstrate that both Te- and Br-terminated surfaces of the ordered BiTeBr hold surface states with a giant spin–orbit splitting. The Te-terminated surface-state spin splitting has Rashba-type behavior with the coupling parameter α R ∼ 2 eVÅ. (paper)

  15. Investigation of the charge-orbital ordering mechanism in single-layered Pr0.5Ca1.5MnO4

    Science.gov (United States)

    Rangkuti, C. N.; Majidi, M. A.

    2018-04-01

    Motivated by the experimental study of half-doped single-layered Pr0.5Ca1.5MnO4 showing charge, orbital, and spin orderings [1], we propose a model to theoretically study the system to explain such ordering phenomena. The ground state electron configuration reveals that the charges form a checkerboard pattern with alternating Mn3+/Mn4+ sites, while the orbitals are aligned in zigzag chains [1, 2]. We calculate the ground state energy of this system to find the most preferable configuration by comparing three types of configurations (charge-unordered, charge-ordered, and charge-orbital-ordered states). The calculations are based on a tight-binding model representing effective electron hoppings among Mn ions in MnO2-plane. We take into account the horizontally- and vertically-oriented orbital and spin degrees of freedom at Mn sites. We assume that the hopping integral values depend on the relative orientation between the corresponding orbitals of adjacent Mn ions. The interaction terms we incorporate into our effective Hamiltonian include inter-orbital, intra-orbital Hubbard repulsions, and Jahn-Teller distortion [2]. We absorb the exchange interaction between spins into local self-energy that we calculate within dynamical mean field algorithm [2]. Within our model we show a circumstance in which the charge-orbital ordered configuration has the lowest energy, consistent with the ground state ordering revealed by the experimental data.

  16. Viscoelastic deformation of lipid bilayer vesicles†

    Science.gov (United States)

    Wu, Shao-Hua; Sankhagowit, Shalene; Biswas, Roshni; Wu, Shuyang; Povinelli, Michelle L.

    2015-01-01

    Lipid bilayers form the boundaries of the cell and its organelles. Many physiological processes, such as cell movement and division, involve bending and folding of the bilayer at high curvatures. Currently, bending of the bilayer is treated as an elastic deformation, such that its stress-strain response is independent of the rate at which bending strain is applied. We present here the first direct measurement of viscoelastic response in a lipid bilayer vesicle. We used a dual-beam optical trap (DBOT) to stretch 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) giant unilamellar vesicles (GUVs). Upon application of a step optical force, the vesicle membrane deforms in two regimes: a fast, instantaneous area increase, followed by a much slower stretching to an eventual plateau deformation. From measurements of dozens of GUVs, the average time constant of the slower stretching response was 0.225 ± 0.033 s (standard deviation, SD). Increasing the fluid viscosity did not affect the observed time constant. We performed a set of experiments to rule out heating by laser absorption as a cause of the transient behavior. Thus, we demonstrate here that the bending deformation of lipid bilayer membranes should be treated as viscoelastic. PMID:26268612

  17. Bursting Bubbles and Bilayers

    Directory of Open Access Journals (Sweden)

    Steven P. Wrenn, Stephen M. Dicker, Eleanor F. Small, Nily R. Dan, Michał Mleczko, Georg Schmitz, Peter A. Lewin

    2012-01-01

    , including those involving microbubbles to deliver cargo into a cell, and those - not necessarily involving microubbles - to release cargo from a phospholipid vesicle (or reverse sonoporation. It is shown that the rate of (reverse sonoporation from liposomes correlates with phospholipid bilayer phase behavior, liquid-disordered phases giving appreciably faster release than liquid-ordered phases. Moreover, liquid-disordered phases exhibit evidence of two release mechanisms, which are described well mathematically by enhanced diffusion (possibly via dilation of membrane phospholipids and irreversible membrane disruption, whereas liquid-ordered phases are described by a single mechanism, which has yet to be positively identified. The ability to tune release kinetics with bilayer composition makes reverse sonoporation of phospholipid vesicles a promising methodology for controlled drug delivery. Moreover, nesting of microbubbles inside vesicles constitutes a truly “theranostic” vehicle, one that can be used for both long-lasting, safe imaging and for controlled drug delivery.

  18. Ion Transport through Diffusion Layer Controlled by Charge Mosaic Membrane

    Directory of Open Access Journals (Sweden)

    Akira Yamauchi

    2012-01-01

    Full Text Available The kinetic transport behaviors in near interface of the membranes were studied using commercial anion and cation exchange membrane and charge mosaic membrane. Current-voltage curve gave the limiting current density that indicates the ceiling of conventional flux. From chronopotentiometry above the limiting current density, the transition time was estimated. The thickness of boundary layer was derived with conjunction with the conventional limiting current density and the transition time from steady state flux. On the other hand, the charge mosaic membrane was introduced in order to examine the ion transport on the membrane surface in detail. The concentration profile was discussed by the kinetic transport number with regard to the water dissociation (splitting on the membrane surface.

  19. 139La and 63Cu NMR investigation of charge order in La2CuO4 +y (Tc=42 K)

    Science.gov (United States)

    Imai, T.; Lee, Y. S.

    2018-03-01

    We report 139La and 63Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in superoxygenated La2CuO4 +y single crystal with stage-4 excess oxygen order at Tstage≃290 K. We show that the stage-4 order induces tilting of CuO6 octahedra below Tstage, which in turn causes 139La NMR line broadening. The structural distortion continues to develop far below Tstage, and completes at Tcharge≃60 K, where charge order sets in. This sequence is reminiscent of the the charge-order transition in Nd codoped La1.88Sr0.12CuO4 that sets in once the low-temperature tetragonal phase is established. We also show that the paramagnetic 63Cu NMR signals are progressively wiped out below Tcharge due to enhanced low-frequency spin fluctuations in charge-ordered domains, but the residual 63Cu NMR signals continue to exhibit the characteristics expected for optimally doped superconducting CuO2 planes. This indicates that charge order in La2CuO4 +y does not take place uniformly in space. In addition, unlike the typical second-order magnetic phase transitions, low-frequency Cu spin fluctuations as probed by 139La nuclear spin-lattice relaxation rate do not exhibit critical divergence at Tspin(≃Tc ) =42 K. These findings, including the spatially inhomogeneous nature of the charge-ordered state, are qualitatively similar to the case of La1.885Sr0.115CuO4 [Imai et al., Phys. Rev. B 96, 224508 (2017), 10.1103/PhysRevB.96.224508 and Arsenault et al., Phys. Rev. B 97, 064511 (2018), 10.1103/PhysRevB.97.064511], but both charge and spin order take place more sharply in the present case.

  20. Bi-layer structure of counterstreaming energetic electron fluxes: a diagnostic tool of the acceleration mechanism in the Earth's magnetotail

    Directory of Open Access Journals (Sweden)

    D. V. Sarafopoulos

    2010-02-01

    Full Text Available For the first time we identify a bi-layer structure of energetic electron fluxes in the Earth's magnetotail and establish (using datasets mainly obtained by the Geotail Energetic Particles and Ion Composition (EPIC/ICS instrument that it actually provides strong evidence for a purely spatial structure. Each bi-layer event is composed of two distinct layers with counterstreaming energetic electron fluxes, parallel and antiparallel to the local ambient magnetic field lines; in particular, the tailward directed fluxes always occur in a region adjacent to the lobes. Adopting the X-line as a standard reconnection model, we determine the occurrence of bi-layer events relatively to the neutral point, in the substorm frame; four (out of the shown seven events are observed earthward and three tailward, a result implying that four events probably occurred with the substorm's local recovery phase. We discuss the bi-layer events in terms of the X-line model; they add more constraints for any candidate electron acceleration mechanism. It should be stressed that until this time, none proposed electron acceleration mechanism has discussed or predicted these layered structures with all their properties. Then we discuss the bi-layer events in terms of the much promising "akis model", as introduced by Sarafopoulos (2008. The akis magnetic field topology is embedded in a thinned plasma sheet and is potentially causing charge separation. We assume that as the Rc curvature radius of the magnetic field line tends to become equal to the ion gyroradius rg, then the ions become non-adiabatic. At the limit Rc=rg the demagnetization process is also under way and the frozen-in magnetic field condition is violated by strong wave turbulence; hence, the ion particles in this geometry are stochastically scattered. In addition, ion diffusion probably takes place across the magnetic field, since an

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

    Science.gov (United States)

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

    2016-07-01

    Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H (x ,p ) =pif (x ) or H (x ,p ) =xig (p ) . Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency.

  2. Homogeneous PCBM layers fabricated by horizontal-dip coating for efficient bilayer heterojunction organic photovoltaic cells.

    Science.gov (United States)

    Huh, Yoon Ho; Bae, In-Gon; Jeon, Hong Goo; Park, Byoungchoo

    2016-10-31

    We herein report a homogeneous [6,6]-phenyl C61 butyric acid methyl ester (PCBM) layer, produced by a solution process of horizontal-dipping (H-dipping) to improve the photovoltaic (PV) effects of bilayer heterojunction organic photovoltaic cells (OPVs) based on a bi-stacked poly(3-hexylthiophene) (P3HT) electron donor layer and a PCBM electron acceptor layer (P3HT/PCBM). It was shown that a homogeneous and uniform coating of PCBM layers in the P3HT/PCBM bilayer OPVs resulted in reliable and reproducible device performance. We recorded a power conversion efficiency (PCE) of 2.89%, which is higher than that (2.00%) of bilayer OPVs with a spin-coated PCBM layer. Moreover, introducing surfactant additives of poly(oxyethylene tridecyl ether) (PTE) into the homogeneous P3HT/PCBM PV layers resulted in the bilayer OPVs showing a PCE value of 3.95%, which is comparable to those of conventional bulk-heterojunction (BHJ) OPVs (3.57-4.13%) fabricated by conventional spin-coating. This improved device performance may be attributed to the selective collection of charge carriers at the interfaces among the active layers and electrodes due to the PTE additives as well as the homogeneous formation of the functional PCBM layer on the P3HT layer. Furthermore, H-dip-coated PCBM layers were deposited onto aligned P3HT layers by a rubbing technique, and the rubbed bilayer OPV exhibited improved in-plane anisotropic PV effects with PCE anisotropy as high as 1.81, which is also higher than that (1.54) of conventional rubbed BHJ OPVs. Our results suggest that the use of the H-dip-coating process in the fabrication of PCBM layers with the PTE interface-engineering additive could be of considerable interest to those seeking to improve PCBM-based opto-electrical organic thin-film devices.

  3. Highly Efficient and Stable Organic Solar Cells via Interface Engineering with a Nanostructured ITR-GO/PFN Bilayer Cathode Interlayer

    Directory of Open Access Journals (Sweden)

    Ding Zheng

    2017-08-01

    Full Text Available An innovative bilayer cathode interlayer (CIL with a nanostructure consisting of in situ thermal reduced graphene oxide (ITR-GO and poly[(9,9-bis(3′-(N,N-dimethylamionpropyl-2,7-fluorene-alt-2,7-(9,9-dioctyl fluorene] (PFN has been fabricated for inverted organic solar cells (OSCs. An approach to prepare a CIL of high electronic quality by using ITR-GO as a template to modulate the morphology of the interface between the active layer and electrode and to further reduce the work function of the electrode has also been realized. This bilayer ITR-GO/PFN CIL is processed by a spray-coating method with facile in situ thermal reduction. Meanwhile, the CIL shows a good charge transport efficiency and less charge recombination, which leads to a significant enhancement of the power conversion efficiency from 6.47% to 8.34% for Poly({4,8-bis[(2-ethylhexyloxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexylcarbonyl]thieno[3,4-b]thiophenediyl} (PTB7:[6,6]-phenyl-C71-butyric acid methyl ester (PC71BM-based OSCs. In addition, the long-term stability of the OSC is improved by using the ITR-GO/PFN CIL when compared with the pristine device. These results indicate that the bilayer ITR-GO/PFN CIL is a promising way to realize high-efficiency and stable OSCs by using water-soluble conjugated polymer electrolytes such as PFN.

  4. Efficient charge-spin conversion and magnetization switching through the Rashba effect at topological-insulator/Ag interfaces

    Science.gov (United States)

    Shi, Shuyuan; Wang, Aizhu; Wang, Yi; Ramaswamy, Rajagopalan; Shen, Lei; Moon, Jisoo; Zhu, Dapeng; Yu, Jiawei; Oh, Seongshik; Feng, Yuanping; Yang, Hyunsoo

    2018-01-01

    We report the observation of efficient charge-to-spin conversion in the three-dimensional topological insulator (TI) B i2S e3 and Ag bilayer by the spin-torque ferromagnetic resonance technique. The spin-orbit-torque ratio in the B i2S e3/Ag /CoFeB heterostructure shows a significant enhancement as the Ag thickness increases to ˜2 nm and reaches a value of 0.5 for 5 nm Ag, which is ˜3 times higher than that of B i2S e3/CoFeB at room temperature. The observation reveals the interfacial effect of B i2S e3/Ag exceeds that of the topological surface states (TSSs) in the B i2S e3 layer and plays a dominant role in the charge-to-spin conversion in the B i2S e3/Ag /CoFeB system. Based on first-principles calculations, we attribute our observation to the large Rashba splitting bands which wrap the TSS band and have the same net spin polarization direction as the TSS of B i2S e3 . Subsequently, we demonstrate Rashba-induced magnetization switching in B i2S e3/Ag /Py with a low current density of 5.8 ×105A /c m2 .

  5. Pressure-induced charge ordering of LiV2O4

    International Nuclear Information System (INIS)

    Takeda, K.; Hidaka, H.; Kotegawa, H.; Kobayashi, T.C.; Shimizu, K.; Harima, H.; Fujiwara, K.; Miyoshi, K.; Takeuchi, J.; Ohishi, Y.; Adachi, T.; Takata, M.; Nishibori, E.; Sakata, M.; Watanuki, T.; Shimomura, O.

    2005-01-01

    The powder X-ray diffraction experiments of LiV 2 O 4 have been performed at low temperature and high pressure using synchrotron radiation. In the isothermal experiment at 10K, the cubic-rhombohedral phase transition corresponding to the metal-insulator transition is found at around 13GPa. This transition seems to be due to charge ordering of V ions on the analogy of the metal-insulator transition in AlV 2 O 4

  6. Crystal-field splittings in rare-earth-based hard magnets: An ab initio approach

    Science.gov (United States)

    Delange, Pascal; Biermann, Silke; Miyake, Takashi; Pourovskii, Leonid

    2017-10-01

    We apply the first-principles density functional theory + dynamical mean-field theory framework to evaluate the crystal-field splitting on rare-earth sites in hard magnetic intermetallics. An atomic (Hubbard-I) approximation is employed for local correlations on the rare-earth 4 f shell and self-consistency in the charge density is implemented. We reduce the density functional theory self-interaction contribution to the crystal-field splitting by properly averaging the 4 f charge density before recalculating the one-electron Kohn-Sham potential. Our approach is shown to reproduce the experimental crystal-field splitting in the prototypical rare-earth hard magnet SmCo5. Applying it to R Fe12 and R Fe12X hard magnets (R =Nd , Sm and X =N , Li), we obtain in particular a large positive value of the crystal-field parameter A20〈r2〉 in NdFe12N resulting in a strong out-of-plane anisotropy observed experimentally. The sign of A20〈r2〉 is predicted to be reversed by substituting N with Li, leading to a strong out-of-plane anisotropy in SmFe12Li . We discuss the origin of this strong impact of N and Li interstitials on the crystal-field splitting on rare-earth sites.

  7. Persistent Charge-Density-Wave Order in Single-Layer TaSe2.

    Science.gov (United States)

    Ryu, Hyejin; Chen, Yi; Kim, Heejung; Tsai, Hsin-Zon; Tang, Shujie; Jiang, Juan; Liou, Franklin; Kahn, Salman; Jia, Caihong; Omrani, Arash A; Shim, Ji Hoon; Hussain, Zahid; Shen, Zhi-Xun; Kim, Kyoo; Min, Byung Il; Hwang, Choongyu; Crommie, Michael F; Mo, Sung-Kwan

    2018-02-14

    We present the electronic characterization of single-layer 1H-TaSe 2 grown by molecular beam epitaxy using a combined angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and density functional theory calculations. We demonstrate that 3 × 3 charge-density-wave (CDW) order persists despite distinct changes in the low energy electronic structure highlighted by the reduction in the number of bands crossing the Fermi energy and the corresponding modification of Fermi surface topology. Enhanced spin-orbit coupling and lattice distortion in the single-layer play a crucial role in the formation of CDW order. Our findings provide a deeper understanding of the nature of CDW order in the two-dimensional limit.

  8. Cholesterol Protects the Oxidized Lipid Bilayer from Water Injury

    DEFF Research Database (Denmark)

    Owen, Michael C; Kulig, Waldemar; Rog, Tomasz

    2018-01-01

    In an effort to delineate how cholesterol protects membrane structure under oxidative stress conditions, we monitored the changes to the structure of lipid bilayers comprising 30 mol% cholesterol and an increasing concentration of Class B oxidized 1-palmitoyl-2-oleoylphosphatidylcholine (POPC...... in a characteristic reduction in bilayer thickness and increase in area per lipid, thereby increasing the exposure of the membrane hydrophobic region to water. However, cholesterol was observed to help reduce water injury by moving into the bilayer core and forming more hydrogen bonds with the oxPLs. Cholesterol also...... resists altering its tilt angle, helping to maintain membrane integrity. Water that enters the 1-nm-thick core region remains part of the bulk water on either side of the bilayer, with relatively few water molecules able to traverse through the bilayer. In cholesterol-rich membranes, the bilayer does...

  9. Three-Dimensional Bioprinting of Oppositely Charged Hydrogels with Super Strong Interface Bonding.

    Science.gov (United States)

    Li, Huijun; Tan, Yu Jun; Liu, Sijun; Li, Lin

    2018-04-04

    A novel strategy to improve the adhesion between printed layers of three-dimensional (3D) printed constructs is developed by exploiting the interaction between two oppositely charged hydrogels. Three anionic hydrogels [alginate, xanthan, and κ-carrageenan (Kca)] and three cationic hydrogels [chitosan, gelatin, and gelatin methacrylate (GelMA)] are chosen to find the optimal combination of two oppositely charged hydrogels for the best 3D printability with strong interface bonding. Rheological properties and printability of the hydrogels, as well as structural integrity of printed constructs in cell culture medium, are studied as functions of polymer concentration and the combination of hydrogels. Kca2 (2 wt % Kca hydrogel) and GelMA10 (10 wt % GelMA hydrogel) are found to be the best combination of oppositely charged hydrogels for 3D printing. The interfacial bonding between a Kca layer and a GelMA layer is proven to be significantly higher than that of the bilayered Kca or bilayered GelMA because of the formation of polyelectrolyte complexes between the oppositely charged hydrogels. A good cell viability of >96% is obtained for the 3D-bioprinted Kca-GelMA construct. This novel strategy has a great potential for 3D bioprinting of layered constructs with a strong interface bonding.

  10. Charge transfer between acenes and PbS nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Dissanayake, D M N M [Solid State Electronics Laboratory, University of Michigan, Ann Arbor, MI 48109-2122 (United States); Hatton, R A [Department of Chemistry, University of Warwick, Coventry CV4 7AL (United Kingdom); Lutz, T [Departments of Chemistry and Physics, Imperial College, London SW7 2AY (United Kingdom); Curry, R J; Silva, S R P [Advanced Technology Institute, University of Surrey, Guildford GU2 7XH (United Kingdom)], E-mail: ndissa@umich.edu

    2009-05-13

    Organic-inorganic hybrid heterojunctions have potential as the basis for future photovoltaic devices. Herein, we report the results of investigations exploring the possibility of using pentacene and tetracene as photoelectron donors in conjunction with PbS nanocrystals (PbS-NCs). Photoinduced charge transfer was probed using external quantum efficiency measurements on acene:PbS-NC hybrid photovoltaic devices in conjunction with photoluminescence studies of the corresponding bilayer films. It is shown that photoelectron transfer from pentacene to the PbS-NCs is inefficient as compared to that between tetracene and PbS-NCs. The latter case can be rationalized in terms of the energy level alignment at the heterojunction assuming a common vacuum level. However, in the case of pentacene:PbS-NC junctions an interfacial energy level shift must be considered in order to explain the observations.

  11. Thermotropic and Barotropic Phase Behavior of Phosphatidylcholine Bilayers

    Directory of Open Access Journals (Sweden)

    Nobutake Tamai

    2013-01-01

    Full Text Available Bilayers formed by phospholipids are frequently used as model biological membranes in various life science studies. A characteristic feature of phospholipid bilayers is to undergo a structural change called a phase transition in response to environmental changes of their surroundings. In this review, we focus our attention on phase transitions of some major phospholipids contained in biological membranes, phosphatidylcholines (PCs, depending on temperature and pressure. Bilayers of dipalmitoylphosphatidylcholine (DPPC, which is the most representative lipid in model membrane studies, will first be explained. Then, the bilayer phase behavior of various kinds of PCs with different molecular structures is revealed from the temperature–pressure phase diagrams, and the difference in phase stability among these PC bilayers is discussed in connection with the molecular structure of the PC molecules. Furthermore, the solvent effect on the phase behavior is also described briefly.

  12. The tight binding model study of the role of anisotropic AFM spin ordering in the charge ordered CMR manganites

    Science.gov (United States)

    Kar, J. K.; Panda, Saswati; Rout, G. C.

    2017-05-01

    We propose here a tight binding model study of the interplay between charge and spin orderings in the CMR manganites taking anisotropic effect due to electron hoppings and spin exchanges. The Hamiltonian consists of the kinetic energies of eg and t2g electrons of manganese ion. It further includes double exchange and Heisenberg interactions. The charge density wave interaction (CDW) describes an extra mechanism for the insulating character of the system. The CDW gap and spin parameters are calculated using Zubarev's Green's function technique and computed self-consistently. The results are reported in this communication.

  13. Highly selective water channel activity measured by voltage clamp: analysis of planar lipid bilayers reconstituted with purified AqpZ.

    Science.gov (United States)

    Pohl, P; Saparov, S M; Borgnia, M J; Agre, P

    2001-08-14

    Aquaporins are membrane channels selectively permeated by water or water plus glycerol. Conflicting reports have described ion conductance associated with some water channels, raising the question of whether ion conductance is a general property of the aquaporin family. To clarify this question, a defined system was developed to simultaneously measure water permeability and ion conductance. The Escherichia coli water channel aquaporin-Z (AqpZ) was studied, because it is a highly stable tetramer. Planar lipid bilayers were formed from unilamellar vesicles containing purified AqpZ. The hydraulic conductivity of bilayers made from the total extract of E. coli lipids increased 3-fold if reconstituted with AqpZ, but electric conductance was unchanged. No channel activity was detected under voltage-clamp conditions, indicating that less than one in 10(9) transport events is electrogenic. Microelectrode measurements were simultaneously undertaken adjacent to the membrane. Changes in sodium concentration profiles accompanying transmembrane water flow permitted calculation of the activation energies: 14 kcal/mol for protein-free lipid bilayers and 4 kcal/mol for lipid bilayers containing AqpZ. Neither the water permeability nor the electric conductivity exhibited voltage dependence. This sensitive system demonstrated that AqpZ is permeated by water but not charged ions and should permit direct analyses of putative electrogenic properties of other aquaporins.

  14. Split NMSSM with electroweak baryogenesis

    Energy Technology Data Exchange (ETDEWEB)

    Demidov, S.V.; Gorbunov, D.S. [Institute for Nuclear Research of the Russian Academy of Sciences, 60th October Anniversary prospect 7a, Moscow 117312 (Russian Federation); Moscow Institute of Physics and Technology,Institutsky per. 9, Dolgoprudny 141700 (Russian Federation); Kirpichnikov, D.V. [Institute for Nuclear Research of the Russian Academy of Sciences, 60th October Anniversary prospect 7a, Moscow 117312 (Russian Federation)

    2016-11-24

    In light of the Higgs boson discovery and other results of the LHC we reconsider generation of the baryon asymmetry in the split Supersymmetry model with an additional singlet superfield in the Higgs sector (non-minimal split SUSY). We find that successful baryogenesis during the first order electroweak phase transition is possible within a phenomenologically viable part of the model parameter space. We discuss several phenomenological consequences of this scenario, namely, predictions for the electric dipole moments of electron and neutron and collider signatures of light charginos and neutralinos.

  15. Mass splitting induced by gravitation

    International Nuclear Information System (INIS)

    Maia, M.D.

    1982-08-01

    The exact combination of internal and geometrical symmetries and the associated mass splitting problem is discussed. A 10-parameter geometrical symmetry is defined in a curved space-time in such a way that it is a combination of de Sitter groups. In the flat limit it reproduces the Poincare-group and its Lie algebra has a nilpotent action on the combined symmetry only in that limit. An explicit mass splitting expression is derived and an estimation of the order of magnitude for spin-zero mesons is made. (author)

  16. First observations of intensity-dependent effects for transversely split beams during multiturn extraction studies at the CERN Proton Synchrotron

    Directory of Open Access Journals (Sweden)

    Simone Gilardoni

    2013-05-01

    Full Text Available During the commissioning of the CERN Proton Synchrotron multiturn extraction, tests with different beam intensities were performed in order to probe the behavior of resonance crossing in the presence of possible space charge effects. The initial beam intensity before transverse splitting was varied and the properties of the five beamlets obtained by crossing the fourth-order horizontal resonance were studied. A clear dependence of the beamlets’ parameters on the total beam intensity was found, which is the first direct observation of intensity-dependent effects for such a peculiar beam type. The experimental results are presented and discussed in detail in this paper.

  17. Interface-mediation of lipid bilayer organization and dynamics.

    Science.gov (United States)

    Mize, Hannah E; Blanchard, G J

    2016-06-22

    We report on the morphology and dynamics of planar supported lipid bilayer structures as a function of pH and ionic strength of the aqueous overlayer. Supported lipid bilayers composed of three components (phosphocholine, sphingomyelin and cholesterol) are known to exhibit phase segregation, with the characteristic domain sizes dependent on the amount and identity of each constituent, and the composition of the aqueous overlayer in contact with the bilayer. We report on fluorescence anisotropy decay imaging measurements of a rhodamine chromophore tethered to the headgroup of a phosphoethanolamine, where anisotropy decay images were acquired as a function of solution overlayer pH and ionic strength. The data reveal a two-component anisotropy decay under all conditions, with the faster time constant being largely independent of pH and ionic strength and the slower component depending on pH and ionic strength in different manners. For liposomes of the same composition, a single exponential anisotropy decay was seen. We interpret this difference in terms of bilayer curvature and support surface-bilayer interactions, and the pH and ionic strength dependencies in terms of ionic screening and protonation in the bilayer headgroup region.

  18. Splitting automorphisms of free Burnside groups

    International Nuclear Information System (INIS)

    Atabekyan, Varuzhan S

    2013-01-01

    It is proved that, if the order of a splitting automorphism of odd period n≥1003 of a free Burnside group B(m,n) is a prime, then the automorphism is inner. This implies, for every prime n≥1009, an affirmative answer to the question on the coincidence of the splitting automorphisms of period n of the group B(m,n) with the inner automorphisms (this question was posed in the 'Kourovka Notebook' in 1990). Bibliography: 17 titles.

  19. Fee Splitting among General Practitioners: A Cross-Sectional Study in Iran.

    Science.gov (United States)

    Parsa, Mojtaba; Larijani, Bagher; Aramesh, Kiarash; Nedjat, Saharnaz; Fotouhi, Akbar; Yekaninejad, Mir Saeed; Ebrahimian, Nejatollah; Kandi, Mohamad Jafar

    2016-12-01

    Fee splitting is a process whereby a physician refers a patient to another physician or a healthcare facility and receives a portion of the charge in return. This survey was conducted to study general practitioners' (GPs) attitudes toward fee splitting as well as the prevalence, causes, and consequences of this process. This is a cross-sectional study on 223 general practitioners in 2013. Concerning the causes and consequences of fee splitting, an unpublished qualitative study was conducted by interviewing a number of GPs and specialists and the questionnaire options were the results of the information obtained from this study. Of the total 320 GPs, 247 returned the questionnaires. The response rate was 77.18%. Of the 247 returned questionnaires, 223 fulfilled the inclusion criteria. Among the participants, 69.1% considered fee splitting completely wrong and 23.2% (frequently or rarely) practiced fee splitting. The present study showed that the prevalence of fee splitting among physicians who had positive attitudes toward fee splitting was 4.63 times higher than those who had negative attitudes. In addition, this study showed that, compared to private hospitals, fee splitting is less practiced in public hospitals. The major cause of fee splitting was found to be unrealistic/unfair tariffs and the main consequence of fee splitting was thought to be an increase in the number of unnecessary patient referrals. Fee splitting is an unethical act, contradicts the goals of the medical profession, and undermines patient's best interest. In Iran, there is no code of ethics on fee splitting, but in this study, it was found that the majority of GPs considered it unethical. However, among those who had negative attitudes toward fee splitting, there were physicians who did practice fee splitting. The results of the study showed that physicians who had a positive attitude toward fee splitting practiced it more than others. Therefore, if physicians consider fee splitting unethical

  20. Characteristics of TiO_2/ZnO bilayer film towards pH sensitivity prepared by different spin coating deposition process

    International Nuclear Information System (INIS)

    Rahman, Rohanieza Abdul; Zulkefle, Muhammad Al Hadi; Abdullah, Wan Fazlida Hanim; Rusop, M.; Herman, Sukreen Hana

    2016-01-01

    In this study, titanium dioxide (TiO_2) and zinc oxide (ZnO) bilayer film for pH sensing application will be presented. TiO_2/ZnO bilayer film with different speed of spin-coating process was deposited on Indium Tin Oxide (ITO), prepared by sol-gel method. This fabricated bilayer film was used as sensing membrane for Extended Gate Field-Effect Transistor (EGFET) for pH sensing application. Experimental results indicated that the sensor is able to detect the sensitivity towards pH buffer solution. In order to obtained the result, sensitivity measurement was done by using the EGFET setup equipment with constant-current (100 µA) and constant-voltage (0.3 V) biasing interfacing circuit. TiO_2/ZnO bilayer film which the working electrode, act as the pH-sensitive membrane was connected to a commercial metal-oxide semiconductor FET (MOSFET). This MOSFET then was connected to the interfacing circuit. The sensitivity of the TiO2 thin film towards pH buffer solution was measured by dipping the sensing membrane in pH4, pH7 and pH10 buffer solution. These thin films were characterized by using Field Emission Scanning Electron Microscope (FESEM) to obtain the surface morphology of the composite bilayer films. In addition, I-V measurement was done in order to determine the electrical properties of the bilayer films. According to the result obtained in this experiment, bilayer film that spin at 4000 rpm, gave highest sensitivity which is 52.1 mV/pH. Relating the I-V characteristic of the thin films and sensitivity, the sensing membrane with higher conductivity gave better sensitivity.

  1. The structure of the CD3 ζζ transmembrane dimer in POPC and raft-like lipid bilayer: a molecular dynamics study.

    Science.gov (United States)

    Petruk, Ariel Alcides; Varriale, Sonia; Coscia, Maria Rosaria; Mazzarella, Lelio; Merlino, Antonello; Oreste, Umberto

    2013-11-01

    Plasma membrane lipids significantly affect assembly and activity of many signaling networks. The present work is aimed at analyzing, by molecular dynamics simulations, the structure and dynamics of the CD3 ζζ dimer in palmitoyl-oleoyl-phosphatidylcholine bilayer (POPC) and in POPC/cholesterol/sphingomyelin bilayer, which resembles the raft membrane microdomain supposed to be the site of the signal transducing machinery. Both POPC and raft-like environment produce significant alterations in structure and flexibility of the CD3 ζζ with respect to nuclear magnetic resonance (NMR) model: the dimer is more compact, its secondary structure is slightly less ordered, the arrangement of the Asp6 pair, which is important for binding to the Arg residue in the alpha chain of the T cell receptor (TCR), is stabilized by water molecules. Different interactions of charged residues with lipids at the lipid-cytoplasm boundary occur when the two environments are compared. Furthermore, in contrast to what is observed in POPC, in the raft-like environment correlated motions between transmembrane and cytoplasmic regions are observed. Altogether the data suggest that when the TCR complex resides in the raft domains, the CD3 ζζ dimer assumes a specific conformation probably necessary to the correct signal transduction. © 2013.

  2. Higgs-mode radiance and charge-density-wave order in 2 H -NbSe2

    Science.gov (United States)

    Grasset, Romain; Cea, Tommaso; Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain; Cario, Laurent; Benfatto, Lara; Méasson, Marie-Aude

    2018-03-01

    Despite being usually considered two competing phenomena, charge-density wave and superconductivity coexist in few systems, the most emblematic one being the transition-metal dichalcogenide 2 H -NbSe2 . This unusual condition is responsible for specific Raman signatures across the two phase transitions in this compound. While the appearance of a soft phonon mode is a well-established fingerprint of the charge-density-wave order, the nature of the sharp subgap mode emerging below the superconducting temperature is still under debate. In this work we use external pressure as a knob to unveil the delicate interplay between the two orders, and consequently the nature of the superconducting mode. Thanks to an advanced extreme-conditions Raman technique, we are able to follow the pressure evolution and the simultaneous collapse of the two intertwined charge-density-wave and superconducting modes. The comparison with microscopic calculations in a model system supports the Higgs-type nature of the superconducting mode and suggests that charge-density wave and superconductivity in 2 H -NbSe2 involve mutual electronic degrees of freedom. These findings fill the knowledge gap on the electronic mechanisms at play in transition-metal dichalcogenides, a crucial step to fully exploit their properties in few-layer systems optimized for device applications.

  3. Adsorption and Orientation of Human Islet Amyloid Polypeptide (hIAPP Monomer at Anionic Lipid Bilayers: Implications for Membrane-Mediated Aggregation

    Directory of Open Access Journals (Sweden)

    Guanghong Wei

    2013-03-01

    Full Text Available Protein misfolding and aggregation cause serious degenerative diseases, such as Alzheimer’s and type II diabetes. Human islet amyloid polypeptide (hIAPP is the major component of amyloid deposits found in the pancreas of type II diabetic patients. Increasing evidence suggests that β-cell death is related to the interaction of hIAPP with the cellular membrane, which accelerates peptide aggregation. In this study, as a first step towards understanding the membrane-mediated hIAPP aggregation, we investigate the atomic details of the initial step of hIAPP-membrane interaction, including the adsorption orientation and conformation of hIAPP monomer at an anionic POPG lipid bilayer by performing all-atom molecular dynamics simulations. We found that hIAPP monomer is quickly adsorbed to bilayer surface, and the adsorption is initiated from the N-terminal residues driven by strong electrostatic interactions of the positively-charged residues K1 and R11 with negatively-charged lipid headgroups. hIAPP binds parallel to the lipid bilayer surface as a stable helix through residues 7–22, consistent with previous experimental study. Remarkably, different simulations lead to the same binding orientation stabilized by electrostatic and H-bonding interactions, with residues R11, F15 and S19 oriented towards membrane and hydrophobic residues L12, A13, L16 and V17 exposed to solvent. Implications for membrane-mediated hIAPP aggregation are discussed.

  4. Bilayer graphene: gap tunability and edge properties

    International Nuclear Information System (INIS)

    Castro, Eduardo V; Santos, J M B Lopes dos; Peres, N M R; Guinea, F; Castro Neto, A H

    2008-01-01

    Bilayer graphene - two coupled single graphene layers stacked as in graphite - provides the only known semiconductor with a gap that can be tuned externally through electric field effect. Here we use a tight binding approach to study how the gap changes with the applied electric field. Within a parallel plate capacitor model and taking into account screening of the external field, we describe real back gated and/or chemically doped bilayer devices. We show that a gap between zero and midinfrared energies can be induced and externally tuned in these devices, making bilayer graphene very appealing from the point of view of applications. However, applications to nanotechnology require careful treatment of the effect of sample boundaries. This being particularly true in graphene, where the presence of edge states at zero energy - the Fermi level of the undoped system - has been extensively reported. Here we show that also bilayer graphene supports surface states localized at zigzag edges. The presence of two layers, however, allows for a new type of edge state which shows an enhanced penetration into the bulk and gives rise to band crossing phenomenon inside the gap of the biased bilayer system.

  5. Effects of carotenoids on lipid bilayers.

    Science.gov (United States)

    Johnson, Quentin R; Mostofian, Barmak; Fuente Gomez, Gabriel; Smith, Jeremy C; Cheng, Xiaolin

    2018-01-31

    Carotenoids have been found to be important in improving the integrity of biomembranes in eukaryotes. However, the molecular details of how carotenoids modulate the physical properties of biomembranes are unknown. To this end, we have conducted a series of molecular dynamics simulations of different biologically-relevant membranes in the presence of carotenoids. The carotenoid effect on the membrane was found to be specific to the identity of the carotenoid and the composition of the membrane itself. Therefore, different classes of carotenoids produce a different effect on the membrane, and different membrane phases are affected differently by carotenoids. It is apparent from our data that carotenoids do trigger the bilayer to become thinner. The mechanism by which this occurs depends on two competing factors, the ability of the lipid tails of opposing monolayers to either (1) compress or (2) interdigitate as the bilayer condenses. Indeed, carotenoids directly influence the physical properties via these two mechanisms, thus compacting the bilayer. However, the degree to which these competing mechanisms are utilized depends on the bilayer phase and the carotenoid identity.

  6. Progresses in the studies of adiabatic splitting of charged particle beams by crossing nonlinear resonances

    Directory of Open Access Journals (Sweden)

    A. Franchi

    2009-01-01

    Full Text Available The multiturn extraction from a circular particle accelerator is performed by trapping the beam inside stable islands of the horizontal phase space. In general, by crossing a resonance of order n, n+1 beamlets are created whenever the resonance is stable, whereas if the resonance is unstable the beam is split in n parts. Islands are generated by nonlinear magnetic fields, whereas the trapping is realized by means of a given tune variation so to cross adiabatically a resonance. Experiments at the CERN Proton Synchrotron carried out in 2007 gave the evidence of protons trapped in stable islands while crossing the one-third and one-fifth resonances. Dedicated experiments were also carried out to study the trapping process and its reversibility properties. The results of these measurement campaigns are presented and discussed in this paper.

  7. Progresses in the Studies of Adiabatic Splitting of Charged Particles Beams by Crossing Nonlinear Resonances

    CERN Document Server

    Franchi, A; Giovannozzi, M; CERN. Geneva. BE Department

    2009-01-01

    The multi-turn extraction from a circular particle accelerator is performed by trapping the beam inside stable islands of the horizontal phase space. In general, by crossing a resonance of order n, n+1 beamlets are created whenever the resonance is stable, whereas if the resonance is unstable the beam is split in n parts. Islands are generated by non-linear magnetic fields, whereas the trapping is realized by means of a given tune variation so to cross adiabatically a resonance. Experiments at the CERN Proton Synchrotron carried out in 2007 gave the evidence of protons trapped in stable islands while crossing the one-third and one-fifth resonances. Dedicated experiments were also carried out to study the trapping process and its reversibility properties. The results of these measurement campaigns are presented and discussed in this paper.

  8. Computer Simulations of Lipid Bilayers and Proteins

    DEFF Research Database (Denmark)

    Sonne, Jacob

    2006-01-01

    The importance of computer simulations in lipid bilayer research has become more prominent for the last couple of decades and as computers get even faster, simulations will play an increasingly important part of understanding the processes that take place in and across cell membranes. This thesis...... entitled Computer simulations of lipid bilayers and proteins describes two molecular dynamics (MD) simulation studies of pure lipid bilayers as well as a study of a transmembrane protein embedded in a lipid bilayer matrix. Below follows a brief overview of the thesis. Chapter 1. This chapter is a short...... in the succeeding chapters is presented. Details on system setups, simulation parameters and other technicalities can be found in the relevant chapters. Chapter 3, DPPC lipid parameters: The quality of MD simulations is intimately dependent on the empirical potential energy function and its parameters, i...

  9. Non-singlet coefficient functions for charged-current deep-inelastic scattering to the third order in QCD

    International Nuclear Information System (INIS)

    Davies, J.; Vogt, A.

    2016-06-01

    We have calculated the coefficient functions for the structure functions F_2, F_L and F_3 in ν- anti ν charged-current deep-inelastic scattering (DIS) at the third order in the strong coupling α_s, thus completing the description of unpolarized inclusive W"±-exchange DIS to this order of massless perturbative QCD. In this brief note, our new results are presented in terms of compact approximate expressions that are sufficiently accurate for phenomenological analyses. For the benefit of such analyses we also collect, in a unified notation, the corresponding lower-order contributions and the flavour non-singlet coefficient functions for ν+ anti ν charged-current DIS. The behaviour of all six third-order coefficient functions at small Bjorken-x is briefly discussed.

  10. Spin-coupled charge dynamics in layered manganite crystals

    CERN Document Server

    Tokura, Y; Ishikawa, T

    1998-01-01

    Anisotropic charge dynamics has been investigated for single crystals of layered manganites, La sub 2 sub - sub 2 sub x Sr sub 1 sub + sub 2 sub x Mn sub 2 O sub 7 (0.3<=X<=0.5). Remarkable variations in the magnetic structure and in the charge-transport properties are observed by changing the doping level x . A crystal with x = 0.3 behaves like a 2-dimensional ferromagnetic metal in the temperature region between approx 90 K and approx 270 K and shows an interplane tunneling magnetoresistance at lower temperatures which is sensitive to the interplane magnetic coupling between the adjacent MnO sub 2 bilayers. Optical probing of these layered manganites has also clarified the highly anisotropic and incoherent charge dynamics.

  11. The angular dependence of spin-state energy splittings in the ? core

    Science.gov (United States)

    Groß, Lynn; Steenbock, Torben; Herrmann, Carmen

    2013-07-01

    Spin-state energy splittings are highly relevant for catalysis, molecular magnetism, and materials science, yet continue to pose a challenge for electronic structure methods. For a Fe2O2+ 2 core, we evaluate the bridging angle dependence of energy splittings between ferromagnetically and antiferromagnetically coupled states for different exchange-correlation functionals, and compare with complete active space self-consistent field (CASSCF) values, also including second-order perturbative corrections (CASPT2). CASSCF and CASPT2 yield strong antiferromagnetic coupling, with the smallest coupling at 100°, and a smooth dependence on the angle for Fe-O-Fe angles of 70° to 120°. Interestingly, this is qualitatively the same behaviour as often found for stable dinuclear transition metal complexes. While all functionals show the same angular dependence as CASPT2, they favour the antiferromagnetic state less strongly. Pure functionals such as BP86, BLYP, SSB-D, and TPSS come closer to the CASPT2 results (with energy splittings by about 60 kJ/mol smaller than the CASPT2 ones) than hybrid functionals. The hybrid functionals B3LYP, B3LYP⋆, and PBE0 favour the antiferromagnetic state even less strongly, resulting in ferromagnetic coupling for angles around 100°. The good qualitative agreement between CASPT2 and CASSCF on the one hand and CASPT2 and density functional theory on the other hand for angles between 70° and 110° suggests that the chosen active space of 18 electrons in 14 orbitals may be adequate for spin-state energy splitting of Fe2O2+ 2 in that region (possibly due to error cancellation), while angles of 60° or 120° may require larger active spaces. This study is complemented by an analysis of local spins, local charges, and CASSCF natural orbitals.

  12. Photoelectrochemical devices for solar water splitting - materials and challenges.

    Science.gov (United States)

    Jiang, Chaoran; Moniz, Savio J A; Wang, Aiqin; Zhang, Tao; Tang, Junwang

    2017-07-31

    It is widely accepted within the community that to achieve a sustainable society with an energy mix primarily based on solar energy we need an efficient strategy to convert and store sunlight into chemical fuels. A photoelectrochemical (PEC) device would therefore play a key role in offering the possibility of carbon-neutral solar fuel production through artificial photosynthesis. The past five years have seen a surge in the development of promising semiconductor materials. In addition, low-cost earth-abundant co-catalysts are ubiquitous in their employment in water splitting cells due to the sluggish kinetics of the oxygen evolution reaction (OER). This review commences with a fundamental understanding of semiconductor properties and charge transfer processes in a PEC device. We then describe various configurations of PEC devices, including single light-absorber cells and multi light-absorber devices (PEC, PV-PEC and PV/electrolyser tandem cell). Recent progress on both photoelectrode materials (light absorbers) and electrocatalysts is summarized, and important factors which dominate photoelectrode performance, including light absorption, charge separation and transport, surface chemical reaction rate and the stability of the photoanode, are discussed. Controlling semiconductor properties is the primary concern in developing materials for solar water splitting. Accordingly, strategies to address the challenges for materials development in this area, such as the adoption of smart architectures, innovative device configuration design, co-catalyst loading, and surface protection layer deposition, are outlined throughout the text, to deliver a highly efficient and stable PEC device for water splitting.

  13. Torque Split Strategy for Parallel Hybrid Electric Vehicles with an Integrated Starter Generator

    OpenAIRE

    Fu, Zhumu; Gao, Aiyun; Wang, Xiaohong; Song, Xiaona

    2014-01-01

    This paper presents a torque split strategy for parallel hybrid electric vehicles with an integrated starter generator (ISG-PHEV) by using fuzzy logic control. By combining the efficiency map and the optimum torque curve of the internal combustion engine (ICE) with the state of charge (SOC) of the batteries, the torque split strategy is designed, which manages the ICE within its peak efficiency region. Taking the quantified ICE torque, the quantified SOC of the batteries, and the quantified I...

  14. k-asymmetric spin splitting at the interface between transition metal ferromagnets and heavy metals

    KAUST Repository

    Grytsiuk, Sergii

    2016-05-23

    We systematically investigate the spin-orbit coupling-induced band splitting originating from inversion symmetry breaking at the interface between a Co monolayer and 4d (Tc, Ru, Rh, Pd, and Ag) or 5d (Re, Os, Ir, Pt, and Au) transition metals. In spite of the complex band structure of these systems, the odd-in-k spin splitting of the bands displays striking similarities with the much simpler Rashba spin-orbit coupling picture. We establish a clear connection between the overall strength of the odd-in-k spin splitting of the bands and the charge transfer between the d orbitals at the interface. Furthermore, we show that the spin splitting of the Fermi surface scales with the induced orbital moment, weighted by the spin-orbit coupling.

  15. k-asymmetric spin splitting at the interface between transition metal ferromagnets and heavy metals

    KAUST Repository

    Grytsyuk, Sergiy; Belabbes, Abderrezak; Haney, Paul M.; Lee, Hyun-Woo; Lee, Kyung-Jin; Stiles, M. D.; Schwingenschlö gl, Udo; Manchon, Aurelien

    2016-01-01

    We systematically investigate the spin-orbit coupling-induced band splitting originating from inversion symmetry breaking at the interface between a Co monolayer and 4d (Tc, Ru, Rh, Pd, and Ag) or 5d (Re, Os, Ir, Pt, and Au) transition metals. In spite of the complex band structure of these systems, the odd-in-k spin splitting of the bands displays striking similarities with the much simpler Rashba spin-orbit coupling picture. We establish a clear connection between the overall strength of the odd-in-k spin splitting of the bands and the charge transfer between the d orbitals at the interface. Furthermore, we show that the spin splitting of the Fermi surface scales with the induced orbital moment, weighted by the spin-orbit coupling.

  16. Deuterium and phosphorus-31 nuclear magnetic resonance study of the interaction of melittin with dimyristoylphosphatidylcholine bilayers and the effects of contaminating phospholipase A2

    International Nuclear Information System (INIS)

    Dempsey, C.E.; Watts, A.

    1987-01-01

    The interaction of bee venom melittin with dimyristoylphosphatidylcholine (DMPC) selectively deuteriated in the choline head group has been studied by deuterium and phosphorus-31 nuclear magnetic resonance (NMR) spectroscopy. The action of residual phospholipase A 2 in melittin samples resulted in mixtures of DMPC and its hydrolytic products that underwent reversible transitions at temperatures between 30 and 35 0 C from extended bilayers to micellar particles which gave narrow single-line deuterium and phosphorus-31 NMR spectra. Similar transitions were observed in DMPC-myristoyllysophosphatidylcholine (lysoPC)-myristic acid mixtures containing melittin but not in melittin-free mixtures, indicating that melittin is able to stabilize extended bilayers containing DMPC and its hydrolytic products in the liquid-crystalline phase. Melittin, free of phospholipase A 2 activity, and at 3-5 mol % relative to DMPC, induced reversible transitions between extended bilayers and micellar particles on passing through the liquid-crystalline to gel phase transition temperature of the lipid, effects similar to those observed in melittin-acyl chain deuteriated dipalmitoylphosphatidylcholine (DPPC) mixtures. LysoPC at concentrations of 20 mol % or greater relative to DMPC induced transitions between extended bilayers and micellar particles with characteristics similar to those induced by melittin. It is proposed that these melittin- and lysoPC-induced transitions share similar mechanisms. The effects of melittin on the quadrupole splittings and T 1 relaxation times of head-group-deuteriated DMPC in the liquid-crystalline phase share features similar to the effects of metal ions on DPPC head groups, indicating that the conformational properties of the choline head group in PC bilayers may be affected by melittin and by metal ions in a similar manner

  17. Investigation of magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures

    Science.gov (United States)

    Das, Kalipada

    2017-10-01

    In our present study, we address in detail the magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures. In these core-shell nanostructures, well-known half metallic La0.67Sr0.33MnO3 nanoparticles (average particle size, ˜20 nm) are wrapped by the charge ordered antiferromagnetic Pr0.67Ca0.33MnO3 (PCMO) matrix. The intrinsic properties of PCMO markedly modify it into such a core-shell form. The robustness of the PCMO matrix becomes fragile and melts at an external magnetic field (H) of ˜20 kOe. The analysis of magneto-transport data indicates the systematic reduction of the electron-electron and electron-magnon interactions in the presence of an external magnetic field in these nanostructures. The pronounced training effect appears in this phase separated compound, which was analyzed by considering the second order tunneling through the grain boundaries of the nanostructures. Additionally, the analysis of low field magnetoconductance data supports the second order tunneling and shows the close value of the universal limit (˜1.33).

  18. High-resolution orientation and depth of insertion of the voltage-sensing S4 helix of a potassium channel in lipid bilayers.

    Science.gov (United States)

    Doherty, Tim; Su, Yongchao; Hong, Mei

    2010-08-27

    The opening and closing of voltage-gated potassium (Kv) channels are controlled by several conserved Arg residues in the S4 helix of the voltage-sensing domain. The interaction of these positively charged Arg residues with the lipid membrane has been of intense interest for understanding how membrane proteins fold to allow charged residues to insert into lipid bilayers against free-energy barriers. Using solid-state NMR, we have now determined the orientation and insertion depth of the S4 peptide of the KvAP channel in lipid bilayers. Two-dimensional (15)N correlation experiments of macroscopically oriented S4 peptide in phospholipid bilayers revealed a tilt angle of 40 degrees and two possible rotation angles differing by 180 degrees around the helix axis. Remarkably, the tilt angle and one of the two rotation angles are identical to those of the S4 helix in the intact voltage-sensing domain, suggesting that interactions between the S4 segment and other helices of the voltage-sensing domain are not essential for the membrane topology of the S4 helix. (13)C-(31)P distances between the S4 backbone and the lipid (31)P indicate a approximately 9 A local thinning and 2 A average thinning of the DMPC (1,2-dimyristoyl-sn-glycero-3-phosphochloline)/DMPG (1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol) bilayer, consistent with neutron diffraction data. Moreover, a short distance of 4.6 A from the guanidinium C(zeta) of the second Arg to (31)P indicates the existence of guanidinium phosphate hydrogen bonding and salt bridges. These data suggest that the structure of the Kv gating helix is mainly determined by protein-lipid interactions instead of interhelical protein-protein interactions, and the S4 amino acid sequence encodes sufficient information for the membrane topology of this crucial gating helix. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  19. L-tryptophan-induced electron transport across supported lipid bilayers: an alkyl-chain tilt-angle, and bilayer-symmetry dependence.

    Science.gov (United States)

    Sarangi, Nirod Kumar; Patnaik, Archita

    2012-12-21

    Molecular orientation-dependent electron transport across supported 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) lipid bilayers (SLBs) on semiconducting indium tin oxide (ITO) is reported with an aim towards potential nanobiotechnological applications. A bifunctional strategy is adopted to form symmetric and asymmetric bilayers of DPPC that interact with L-tryptophan, and are analyzed by surface manometry and atomic force microscopy. Polarization-dependent real-time Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) analysis of these SLBs reveals electrostatic, hydrogen-bonding, and cation-π interactions between the polar head groups of the lipid and the indole side chains. Consequently, a molecular tilt arises from the effective interface dipole, facilitating electron transport across the ITO-anchored SLBs in the presence of an internal Fe(CN)(6)(4-/3-) redox probe. The incorporation of tryptophan enhances the voltammetric features of the SLBs. The estimated electron-transfer rate constants for symmetric and asymmetric bilayers (k(s) = 2.0×10(-2) and 2.8×10(-2) s(-1)) across the two-dimensional (2D) ordered DPPC/tryptophan SLBs are higher compared to pure DPPC SLBs (k(s) = 3.2×10(-3) and 3.9×10(-3) s(-1)). In addition, they are molecular tilt-dependent, as it is the case with the standard apparent rate constants k(app)(0), estimated from electrochemical impedance spectroscopy and bipotentiostatic experiments with a Pt ultramicroelectrode. Lower magnitudes of k(s) and k(app)(0) imply that electrochemical reactions across the ITO-SLB electrodes are kinetically limited and consequently governed by electron tunneling across the SLBs. Standard theoretical rate constants (k(th)(0)) accrued upon electron tunneling comply with the potential-independent electron-tunneling coefficient β = 0.15 Å(-1). Insulator-semiconductor transitions moving from a liquid-expanded to a condensed 2D-phase state of the SLBs are noted, adding a new dimension

  20. Simulation studies of protein-induced bilayer deformations, and lipid-induced protein tilting, on a mesoscopic model for lipid bilayers with embedded proteins

    DEFF Research Database (Denmark)

    Venturoli, M.; Smit, B.; Sperotto, Maria Maddalena

    2005-01-01

    membranes. Here we present a mesoscopic model for lipid bilayers with embedded proteins, which we have studied with the help of the dissipative particle dynamics simulation technique. Because hydrophobic matching is believed to be one of the main physical mechanisms regulating lipid-protein interactions......-induced protein tilt, with the hydrophobic mismatch ( positive and negative) between the protein hydrophobic length and the pure lipid bilayer hydrophobic thickness. The protein-induced bilayer perturbation was quantified in terms of a coherence length, xi(P), of the lipid bilayer hydrophobic thickness pro. le...... for positive values of mismatch; a dependence on the protein size appears as well. In the case of large model proteins experiencing extreme mismatch conditions, in the region next to the so-called lipid annulus, there appears an undershooting ( or overshooting) region where the bilayer hydrophobic thickness...

  1. Phase transition behaviors of the supported DPPC bilayer investigated by sum frequency generation (SFG) vibrational spectroscopy and atomic force microscopy (AFM).

    Science.gov (United States)

    Wu, Heng-Liang; Tong, Yujin; Peng, Qiling; Li, Na; Ye, Shen

    2016-01-21

    The phase transition behaviors of a supported bilayer of dipalmitoylphosphatidyl-choline (DPPC) have been systematically evaluated by in situ sum frequency generation (SFG) vibrational spectroscopy and atomic force microscopy (AFM). By using an asymmetric bilayer composed of per-deuterated and per-protonated monolayers, i.e., DPPC-d75/DPPC and a symmetric bilayer of DPPC/DPPC, we were able to probe the molecular structural changes during the phase transition process of the lipid bilayer by SFG spectroscopy. It was found that the DPPC bilayer is sequentially melted from the top (adjacent to the solution) to bottom leaflet (adjacent to the substrate) over a wide temperature range. The conformational ordering of the supported bilayer does not decrease (even slightly increases) during the phase transition process. The conformational defects in the bilayer can be removed after the complete melting process. The phase transition enthalpy for the bottom leaflet was found to be approximately three times greater than that for the top leaflet, indicating a strong interaction of the lipids with the substrate. The present SFG and AFM observations revealed similar temperature dependent profiles. Based on these results, the temperature-induced structural changes in the supported lipid bilayer during its phase transition process are discussed in comparison with previous studies.

  2. Magnetoresistance and magnetostriction of Ni81Fe19 and Co90Fe10 mono- and bilayer films

    International Nuclear Information System (INIS)

    Sahingoz, R.; Hollingworth, M.P.; Gibbs, M.R.J.; Murdoch, S.J.

    2005-01-01

    Monolayer and bilayer films of Ni 81 Fe 19 , Co 90 Fe 10 , Co 90 Fe 10 /Ni 81 Fe 19 , and Ni 81 Fe 19 /Co 90 Fe 10 have been grown on thermally oxidized Si. The magnetoresistance (MR) of the samples was measured as a function of applied DC magnetic field, using a four-point probe method. The magnetostriction constant, λ s , was derived from the change of anisotropy field as a function of strain. The dependence of the MR on different combinations of film layers was investigated. The magnetoresistance of the bilayers changed dramatically upon reversal of the layer order. The mono- and bilayer samples with the same material on top of the substrate showed similar MR loop shapes. However, the saturation fields of the bilayers were larger than those for the monolayers. The magnetostriction of all samples was negative. We discuss the consequences for the study and optimization of spin-valve devices

  3. Influence of different gaps among the split targets with gradient potential to the discharge effects generated by hypervelocity impact

    Science.gov (United States)

    Tang, Enling; Zhao, Liangliang; Han, Yafei; Zhang, Qingming; Wang, Ruizhi; He, Liping; Liu, Shuhua

    2018-04-01

    Due to the actual situation of spacecraft surface' charging, such as convex corners, weld line, whalebone and a multiple-interfaces with different materials, all these are main factors leading to uneven charging of spacecraft surface, even creating gradient potential. If the charging spacecraft surface is impacted by debris or micrometeor, discharge effect induced by impacting will pose a serious threat to spacecraft in orbit. So realizing spacecraft charging surface with different potential differences and grasping discharge characteristics are a decisive importance at the different experimental conditions in laboratory. To simulate the spacecraft surface with a gradient potential in laboratory, spacecraft surface is split into different parts, which different gaps reserved in 2 adjacent surface is added resistance to create different potential surfaces, and the high potential surface as a impact target in the split targets. Charging circuit system realizing different gradient potential and discharge test system are built by ourselves, combining with two-stage light gas gun loading system, six sets of experiments have been performed about hypervelocity impact on 2A12 aluminum split targets with gradient potentials. In the experiments, gaps of 2A12 aluminum target are the same among different parts in every experiments, the gaps of the split targets are 2mm, 3mm, 5mm, 7mm and 10mm in the experiments, respectively. And the applied voltage is 300V in all the experiments and high-potential 2A12 aluminum plate as the impact target. The experiments have been performed at the impact velocity of about 3km/s and the incidence angles of 60o and 90o (between projectile flying trajectory and target plane), respectively. Voltage probe and current probes are used for acquiring discharge voltages and currents during the process of the impact. The experimental results showed that the discharge induced by impact plasma were generated among high and low-potential target by forming

  4. Influence of different gaps among the split targets with gradient potential to the discharge effects generated by hypervelocity impact

    Directory of Open Access Journals (Sweden)

    Enling Tang

    2018-04-01

    Full Text Available Due to the actual situation of spacecraft surface’ charging, such as convex corners, weld line, whalebone and a multiple-interfaces with different materials, all these are main factors leading to uneven charging of spacecraft surface, even creating gradient potential. If the charging spacecraft surface is impacted by debris or micrometeor, discharge effect induced by impacting will pose a serious threat to spacecraft in orbit. So realizing spacecraft charging surface with different potential differences and grasping discharge characteristics are a decisive importance at the different experimental conditions in laboratory. To simulate the spacecraft surface with a gradient potential in laboratory, spacecraft surface is split into different parts, which different gaps reserved in 2 adjacent surface is added resistance to create different potential surfaces, and the high potential surface as a impact target in the split targets. Charging circuit system realizing different gradient potential and discharge test system are built by ourselves, combining with two-stage light gas gun loading system, six sets of experiments have been performed about hypervelocity impact on 2A12 aluminum split targets with gradient potentials. In the experiments, gaps of 2A12 aluminum target are the same among different parts in every experiments, the gaps of the split targets are 2mm, 3mm, 5mm, 7mm and 10mm in the experiments, respectively. And the applied voltage is 300V in all the experiments and high-potential 2A12 aluminum plate as the impact target. The experiments have been performed at the impact velocity of about 3km/s and the incidence angles of 60o and 90o (between projectile flying trajectory and target plane, respectively. Voltage probe and current probes are used for acquiring discharge voltages and currents during the process of the impact. The experimental results showed that the discharge induced by impact plasma were generated among high and low

  5. Fragmented state of lipid bilayers in water

    DEFF Research Database (Denmark)

    Helfrich, W.; Thimmel, J.; Klösgen, Beate Maria

    1999-01-01

    The bilayers of some typical biological membrane lipids such as PC and DGDG disintegrate in a large excess of water to form an optically invisible dispersive bilayer phase. `Dark bodies' can be reversibly precipitated from it by raising the temperature. The dispersive phase probably consists...

  6. Characteristics of TiO{sub 2}/ZnO bilayer film towards pH sensitivity prepared by different spin coating deposition process

    Energy Technology Data Exchange (ETDEWEB)

    Rahman, Rohanieza Abdul, E-mail: rohanieza.abdrahman@gmail.com; Zulkefle, Muhammad Al Hadi, E-mail: alhadizulkefle@gmail.com [NANO-Electronic Centre, Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); Abdullah, Wan Fazlida Hanim, E-mail: wanfaz@salam.uitm.edu.my [Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM) Shah Alam, 40450 Shah Alam, Selangor (Malaysia); Rusop, M., E-mail: rusop@salam.uitm.com [NANO-Electronic Centre, Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); NANO-Science Technology Centre (NST), Institute of Science (IOS), Faculty of Applied Science, Universiti Teknologi MARA - UiTM, 40450 Shah Alam, Selangor (Malaysia); Herman, Sukreen Hana, E-mail: hana1617@salam.uitm.edu.my [NANO-Electronic Centre, Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); CoRe of Frontier Materials & Industry Applications, Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia)

    2016-07-06

    In this study, titanium dioxide (TiO{sub 2}) and zinc oxide (ZnO) bilayer film for pH sensing application will be presented. TiO{sub 2}/ZnO bilayer film with different speed of spin-coating process was deposited on Indium Tin Oxide (ITO), prepared by sol-gel method. This fabricated bilayer film was used as sensing membrane for Extended Gate Field-Effect Transistor (EGFET) for pH sensing application. Experimental results indicated that the sensor is able to detect the sensitivity towards pH buffer solution. In order to obtained the result, sensitivity measurement was done by using the EGFET setup equipment with constant-current (100 µA) and constant-voltage (0.3 V) biasing interfacing circuit. TiO{sub 2}/ZnO bilayer film which the working electrode, act as the pH-sensitive membrane was connected to a commercial metal-oxide semiconductor FET (MOSFET). This MOSFET then was connected to the interfacing circuit. The sensitivity of the TiO2 thin film towards pH buffer solution was measured by dipping the sensing membrane in pH4, pH7 and pH10 buffer solution. These thin films were characterized by using Field Emission Scanning Electron Microscope (FESEM) to obtain the surface morphology of the composite bilayer films. In addition, I-V measurement was done in order to determine the electrical properties of the bilayer films. According to the result obtained in this experiment, bilayer film that spin at 4000 rpm, gave highest sensitivity which is 52.1 mV/pH. Relating the I-V characteristic of the thin films and sensitivity, the sensing membrane with higher conductivity gave better sensitivity.

  7. Cluster Formation of Polyphilic Molecules Solvated in a DPPC Bilayer

    Directory of Open Access Journals (Sweden)

    Xiang-Yang Guo

    2017-10-01

    Full Text Available We analyse the initial stages of cluster formation of polyphilic additive molecules which are solvated in a dipalmitoylphosphatidylcholine (DPPC lipid bilayer. Our polyphilic molecules comprise an aromatic (trans-bilayer core domain with (out-of-bilayer glycerol terminations, complemented with a fluorophilic and an alkyl side chain, both of which are confined within the aliphatic segment of the bilayer. Large-scale molecular dynamics simulations (1 μ s total duration of a set of six of such polyphilic additives reveal the initial steps towards supramolecular aggregation induced by the specific philicity properties of the molecules. For our intermediate system size of six polyphiles, the transient but recurrent formation of a trimer is observed on a characteristic timescale of about 100 ns. The alkane/perfluoroalkane side chains show a very distinct conformational distribution inside the bilayer thanks to their different philicity, despite their identical anchoring in the trans-bilayer segment of the polyphile. The diffusive mobility of the polyphilic additives is about the same as that of the surrounding lipids, although it crosses both bilayer leaflets and tends to self-associate.

  8. Direct transfer and Raman characterization of twisted graphene bilayer

    International Nuclear Information System (INIS)

    Othmen, R.; Arezki, H.; Boutchich, M.; Ajlani, H.; Oueslati, M.; Cavanna, A.; Madouri, A.

    2015-01-01

    Twisted bilayer graphene (tBLG) is constituted of a two-graphene layer with a mismatch angle θ between the two hexagonal structures. It has recently attracted much attention—thanks to its diverse electronic and optical properties. Here, we study the tBLG fabricated by the direct transfer of graphene monolayer prepared by chemical vapor deposition (CVD) onto another CVD graphene layer remaining attached to the copper foil. We show that high quality and homogeneous tBLG can be obtained by the direct transfer which prevents interface contamination. In this situation, the top graphene layer plays a supporting mechanical role to the bottom graphene layer as confirmed by optical microscopy, scanning electron microscopy, and Raman spectroscopy measurements. The effect of annealing tBLG was also investigated using micro-Raman spectroscopy. The Raman spectra exhibit a splitting of the G peak as well as a change in the 2D band shape indicating a possible decoupling of the two monolayers. We attribute these changes to the different interactions of the top and bottom layers with the substrate

  9. Neutron reflectivity study of substrate surface chemistry effects on supported phospholipid bilayer formation on (1120) sapphire.

    Energy Technology Data Exchange (ETDEWEB)

    Oleson, Timothy A. [University of Wisconsin, Madison; Sahai, Nita [University of Akron; Wesolowski, David J [ORNL; Dura, Joseph A [ORNL; Majkrzak, Charles F [ORNL; Giuffre, Anthony J. [University of Wisconsin, Madison

    2012-01-01

    Oxide-supported phospholipid bilayers (SPBs) used as biomimetric membranes are significant for a broad range of applications including improvement of biomedical devices and biosensors, and in understanding biomineralization processes and the possible role of mineral surfaces in the evolution of pre-biotic membranes. Continuous-coverage and/or stacjed SPBs retain properties (e.,g. fluidity) more similar to native biological membranes, which is desirable for most applications. Using neutron reflectivity, we examined face coverage and potential stacking of dipalmitoylphosphatidylcholine (DPPC) bilayers on the (1120) face of sapphire (a-Al2O3). Nearly full bilayers were formed at low to neutral pH, when the sapphire surface is positively charged, and at low ionic strength (l=15 mM NaCl). Coverage decreased at higher pH, close to the isoelectric point of sapphire, and also at high I>210mM, or with addition of 2mM Ca2+. The latter two effects are additive, suggesting that Ca2+ mitigates the effect of higher I. These trends agree with previous results for phospholipid adsorption on a-Al2O3 particles determined by adsorption isotherms and on single-crystal (1010) sapphire by atomic force microscopy, suggesting consistency of oxide surface chemistry-dependent effects across experimental techniques.

  10. Revisiting 63Cu NMR evidence for charge order in superconducting La1.885Sr0.115CuO4

    Science.gov (United States)

    Imai, T.; Takahashi, S. K.; Arsenault, A.; Acton, A. W.; Lee, D.; He, W.; Lee, Y. S.; Fujita, M.

    2017-12-01

    The presence of charge and spin stripe order in the La2CuO4 -based family of superconductors continues to lead to new insight on the unusual ground-state properties of high-Tc cuprates. Soon after the discovery of charge stripe order at Tcharge≃65 K in Nd3 + co-doped La1.48Nd0.4Sr0.12CuO4 (Tc≃6 K) [Tranquada et al., Nature (London) 375, 561 (1995), 10.1038/375561a0], Hunt et al. demonstrated that La1.48Nd0.4Sr0.12CuO4 and superconducting La2 -xSrxCuO4 with x ˜1 /8 (Tc≃30 K) share nearly identical NMR anomalies near Tcharge of the former [Phys. Rev. Lett. 82, 4300 (1999), 10.1103/PhysRevLett.82.4300]. Their inevitable conclusion that La1.885Sr0.115CuO4 also undergoes charge order at a comparable temperature became controversial, because diffraction measurements at the time were unable to detect Bragg peaks associated with charge order. Recent advances in x-ray diffraction techniques finally led to definitive confirmations of the charge order Bragg peaks in La1.885Sr0.115CuO4 with an onset at as high as Tcharge≃80 K. Meanwhile, improved instrumental technology has enabled routine NMR measurements that were not feasible two decades ago. Motivated by these new developments, we revisit the charge order transition of a La1.885Sr0.115CuO4 single crystal based on 63Cu NMR techniques. We demonstrate that 63Cu NMR properties of the nuclear spin Iz=-1/2 to +1/2 central transition below Tcharge exhibit unprecedentedly strong dependence on the measurement time scale set by the separation time τ between the 90∘ and 180∘ radio-frequency pulses; a new kind of anomalous, very broad winglike 63Cu NMR signals gradually emerge below Tcharge only for extremely short τ ≲4 μ s , while the spectral weight INormal of the normal NMR signals is progressively wiped out. The NMR linewidth and relaxation rates depend strongly on τ below Tcharge, and their enhancement in the charge ordered state indicates that charge order turns on strong but inhomogeneous growth of Cu spin

  11. Low to High Spin-State Transition Induced by Charge Ordering in Antiferromagnetic YBaCo2O5

    International Nuclear Information System (INIS)

    Vogt, T.; Woodward, P. M.; Karen, P.; Hunter, B. A.; Henning, P.; Moodenbaugh, A. R.

    2000-01-01

    The oxygen-deficient double perovskite YBaCo 2 O 5 , containing corner-linked CoO 5 square pyramids as principal building units, undergoes a paramagnetic to antiferromagnetic spin ordering at 330 K. This is accompanied by a tetragonal to orthorhombic distortion. Below 220 K orbital ordering and long-range Co 2+ /Co 3+ charge ordering occur as well as a change in the Co 2+ spin state from low to high spin. This transition is shown to be very sensitive to the oxygen content of the sample. To our knowledge this is the first observation of a spin-state transition induced by long-range orbital and charge ordering. (c) 2000 The American Physical Society

  12. Characterization of the transverse relaxation rates in lipid bilayers

    International Nuclear Information System (INIS)

    Watnick, P.I.; Dea, P.; Chan, S.I.

    1990-01-01

    The 2H NMR transverse relaxation rates of a deuterated phospholipid bilayer reflect slow motions in the bilayer membrane. A study of dimyristoyl lecithin specifically deuterated at several positions of the hydrocarbon chains indicates that these motions are cooperative and are confined to the hydrocarbon chains of the lipid bilayer. However, lipid head group interactions do play an important role in modulating the properties of the cooperative fluctuations of the hydrocarbon chains (director fluctuations), as evidenced by the effects of various lipid additives on the 2H NMR transverse relaxation rates of the dimyristoyl lecithin bilayer

  13. DNA nanotechnology: Bringing lipid bilayers into shape

    Science.gov (United States)

    Howorka, Stefan

    2017-07-01

    Lipid bilayers form the thin and floppy membranes that define the boundary of compartments such as cells. Now, a method to control the shape and size of bilayers using DNA nanoscaffolds has been developed. Such designer materials advance synthetic biology and could find use in membrane research.

  14. Twinning microstructure and charge ordering in the colossal magnetoresistive manganite Nd1/2Sr1/2MnO3

    International Nuclear Information System (INIS)

    Luo, Z.P.; Miller, D.J.; Mitchell, J.F.

    2000-01-01

    Charge ordering (C.O.) in the colossal magnetoresistive (CMR) manganites gives rise to an insulating, high-resistance state. This charge ordered state can be melted into a low-resistance metallic-like state by the application of magnetic field. Thus, the potential to attain high values of magnetoresistance with the application of small magnetic fields may be aided by a better understanding of the charge-ordering phenomenon. This study focused on microstructural characterization in Nd 1/2 Sr 1/2 MnO 3 . In Nd 1/2 Sr 1/2 MnO 3 , the nominal valence of Mn is 3.5+. On cooling, charge can localize and lead to a charge ordering between Mn 3+ and Mn 4+. The ordering of charge results in a superlattice structure and a reduction in symmetry. Thin foil specimens were prepared from bulk samples by conventional thinning and ion milling (at LiqN 2 temperature) methods. The room temperature TEM observation of Nd 1/2 Sr 1/2 MnO 3 reveals that it contains a highly twinned microstructure, together with a small number of stacking faults (SFS). A figure shows the same area of the specimen at different zone axes obtained by tilting around two perpendicular directions as indicated. Three grains A, B and C are labeled for each of the zone axes. The room temperature EDPs from the matrix and twins shows an approximate 90degree rotation suggesting a 90degree twin orientation. These results are further confirmed by C.O. at low temperatures. The twinning planes can be determined by tilting with large angles

  15. Deuterium and phosphorus-31 nuclear magnetic resonance study of the interaction of melittin with dimyristoylphosphatidylcholine bilayers and the effects of contaminating phospholipase A/sub 2/

    Energy Technology Data Exchange (ETDEWEB)

    Dempsey, C.E.; Watts, A.

    1987-09-08

    The interaction of bee venom melittin with dimyristoylphosphatidylcholine (DMPC) selectively deuteriated in the choline head group has been studied by deuterium and phosphorus-31 nuclear magnetic resonance (NMR) spectroscopy. The action of residual phospholipase A/sub 2/ in melittin samples resulted in mixtures of DMPC and its hydrolytic products that underwent reversible transitions at temperatures between 30 and 35/sup 0/C from extended bilayers to micellar particles which gave narrow single-line deuterium and phosphorus-31 NMR spectra. Similar transitions were observed in DMPC-myristoyllysophosphatidylcholine (lysoPC)-myristic acid mixtures containing melittin but not in melittin-free mixtures, indicating that melittin is able to stabilize extended bilayers containing DMPC and its hydrolytic products in the liquid-crystalline phase. Melittin, free of phospholipase A/sub 2/ activity, and at 3-5 mol % relative to DMPC, induced reversible transitions between extended bilayers and micellar particles on passing through the liquid-crystalline to gel phase transition temperature of the lipid, effects similar to those observed in melittin-acyl chain deuteriated dipalmitoylphosphatidylcholine (DPPC) mixtures. LysoPC at concentrations of 20 mol % or greater relative to DMPC induced transitions between extended bilayers and micellar particles with characteristics similar to those induced by melittin. It is proposed that these melittin- and lysoPC-induced transitions share similar mechanisms. The effects of melittin on the quadrupole splittings and T/sub 1/ relaxation times of head-group-deuteriated DMPC in the liquid-crystalline phase share features similar to the effects of metal ions on DPPC head groups, indicating that the conformational properties of the choline head group in PC bilayers may be affected by melittin and by metal ions in a similar manner.

  16. Regulation of membrane protein function by lipid bilayer elasticity-a single molecule technology to measure the bilayer properties experienced by an embedded protein

    International Nuclear Information System (INIS)

    Lundbaek, Jens August

    2006-01-01

    Membrane protein function is generally regulated by the molecular composition of the host lipid bilayer. The underlying mechanisms have long remained enigmatic. Some cases involve specific molecular interactions, but very often lipids and other amphiphiles, which are adsorbed to lipid bilayers, regulate a number of structurally unrelated proteins in an apparently non-specific manner. It is well known that changes in the physical properties of a lipid bilayer (e.g., thickness or monolayer spontaneous curvature) can affect the function of an embedded protein. However, the role of such changes, in the general regulation of membrane protein function, is unclear. This is to a large extent due to lack of a generally accepted framework in which to understand the many observations. The present review summarizes studies which have demonstrated that the hydrophobic interactions between a membrane protein and the host lipid bilayer provide an energetic coupling, whereby protein function can be regulated by the bilayer elasticity. The feasibility of this 'hydrophobic coupling mechanism' has been demonstrated using the gramicidin channel, a model membrane protein, in planar lipid bilayers. Using voltage-dependent sodium channels, N-type calcium channels and GABA A receptors, it has been shown that membrane protein function in living cells can be regulated by amphiphile induced changes in bilayer elasticity. Using the gramicidin channel as a molecular force transducer, a nanotechnology to measure the elastic properties experienced by an embedded protein has been developed. A theoretical and technological framework, to study the regulation of membrane protein function by lipid bilayer elasticity, has been established

  17. Reliable Piezoelectricity in Bilayer WSe2 for Piezoelectric Nanogenerators.

    Science.gov (United States)

    Lee, Ju-Hyuck; Park, Jae Young; Cho, Eun Bi; Kim, Tae Yun; Han, Sang A; Kim, Tae-Ho; Liu, Yanan; Kim, Sung Kyun; Roh, Chang Jae; Yoon, Hong-Joon; Ryu, Hanjun; Seung, Wanchul; Lee, Jong Seok; Lee, Jaichan; Kim, Sang-Woo

    2017-08-01

    Recently, piezoelectricity has been observed in 2D atomically thin materials, such as hexagonal-boron nitride, graphene, and transition metal dichalcogenides (TMDs). Specifically, exfoliated monolayer MoS 2 exhibits a high piezoelectricity that is comparable to that of traditional piezoelectric materials. However, monolayer TMD materials are not regarded as suitable for actual piezoelectric devices due to their insufficient mechanical durability for sustained operation while Bernal-stacked bilayer TMD materials lose noncentrosymmetry and consequently piezoelectricity. Here, it is shown that WSe 2 bilayers fabricated via turbostratic stacking have reliable piezoelectric properties that cannot be obtained from a mechanically exfoliated WSe 2 bilayer with Bernal stacking. Turbostratic stacking refers to the transfer of each chemical vapor deposition (CVD)-grown WSe 2 monolayer to allow for an increase in degrees of freedom in the bilayer symmetry, leading to noncentrosymmetry in the bilayers. In contrast, CVD-grown WSe 2 bilayers exhibit very weak piezoelectricity because of the energetics and crystallographic orientation. The flexible piezoelectric WSe 2 bilayers exhibit a prominent mechanical durability of up to 0.95% of strain as well as reliable energy harvesting performance, which is adequate to drive a small liquid crystal display without external energy sources, in contrast to monolayer WSe 2 for which the device performance becomes degraded above a strain of 0.63%. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Charge dynamics of the antiferromagnetically ordered Mott insulator

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  19. Charge dynamics of the antiferromagnetically ordered Mott insulator

    Science.gov (United States)

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

    2016-10-01

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

  20. Application of kinetic flux vector splitting scheme for solving multi-dimensional hydrodynamical models of semiconductor devices

    Science.gov (United States)

    Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul

    In this article, one and two-dimensional hydrodynamical models of semiconductor devices are numerically investigated. The models treat the propagation of electrons in a semiconductor device as the flow of a charged compressible fluid. It plays an important role in predicting the behavior of electron flow in semiconductor devices. Mathematically, the governing equations form a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the kinetic flux-vector splitting (KFVS) method for the hyperbolic step, and a semi-implicit Runge-Kutta method for the relaxation step. The KFVS method is based on the direct splitting of macroscopic flux functions of the system on the cell interfaces. The second order accuracy of the scheme is achieved by using MUSCL-type initial reconstruction and Runge-Kutta time stepping method. Several case studies are considered. For validation, the results of current scheme are compared with those obtained from the splitting scheme based on the NT central scheme. The effects of various parameters such as low field mobility, device length, lattice temperature and voltage are analyzed. The accuracy, efficiency and simplicity of the proposed KFVS scheme validates its generic applicability to the given model equations. A two dimensional simulation is also performed by KFVS method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.

  1. Effects of Drift-Shell Splitting by Chorus Waves on Radiation Belt Electrons

    Science.gov (United States)

    Chan, A. A.; Zheng, L.; O'Brien, T. P., III; Tu, W.; Cunningham, G.; Elkington, S. R.; Albert, J.

    2015-12-01

    Drift shell splitting in the radiation belts breaks all three adiabatic invariants of charged particle motion via pitch angle scattering, and produces new diffusion terms that fully populate the diffusion tensor in the Fokker-Planck equation. Based on the stochastic differential equation method, the Radbelt Electron Model (REM) simulation code allows us to solve such a fully three-dimensional Fokker-Planck equation, and to elucidate the sources and transport mechanisms behind the phase space density variations. REM has been used to perform simulations with an empirical initial phase space density followed by a seed electron injection, with a Tsyganenko 1989 magnetic field model, and with chorus wave and ULF wave diffusion models. Our simulation results show that adding drift shell splitting changes the phase space location of the source to smaller L shells, which typically reduces local electron energization (compared to neglecting drift-shell splitting effects). Simulation results with and without drift-shell splitting effects are compared with Van Allen Probe measurements.

  2. Modeling fragmentation with new high order finite element technology and node splitting

    Directory of Open Access Journals (Sweden)

    Olovsson Lars

    2015-01-01

    Full Text Available The modeling of fragmentation has historically been linked to the weapons industry where the main goal is to optimize a bomb or to design effective blast shields. Numerical modeling of fragmentation from dynamic loading has traditionally been modeled by legacy finite element solvers that rely on element erosion to model material failure. However this method results in the removal of too much material. This is not realistic as retaining the mass of the structure is critical to modeling the event correctly. We propose a new approach implemented in the IMPETUS AFEA SOLVER® based on the following: New High Order Finite Elements that can easily deal with very large deformations; Stochastic distribution of initial damage that allows for a non homogeneous distribution of fragments; and a Node Splitting Algorithm that allows for material fracture without element erosion that is mesh independent. The approach is evaluated for various materials and scenarios: -Titanium ring electromagnetic compression; Hard steel Taylor bar impact, Fused silica Taylor bar impact, Steel cylinder explosion, The results obtained from the simulations are representative of the failure mechanisms observed experimentally. The main benefit of this approach is good energy conservation (no loss of mass and numerical robustness even in complex situations.

  3. Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering

    KAUST Repository

    Shi, Dong

    2016-04-15

    We report the crystal structure and hole-transport mechanism in spiro-OMeTAD [2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenyl-amine)9,9′-spirobifluorene], the dominant hole-transporting material in perovskite and solid-state dye-sensitized solar cells. Despite spiro-OMeTAD’s paramount role in such devices, its crystal structure was unknown because of highly disordered solution-processed films; the hole-transport pathways remained ill-defined and the charge carrier mobilities were low, posing a major bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure calculations enabled us to map spiro-OMeTAD’s intermolecular charge-hopping pathways. Promisingly, single-crystal mobilities were found to exceed their thin-film counterparts by three orders of magnitude. Our findings underscore mesoscale ordering as a key strategy to achieving breakthroughs in hole-transport material engineering of solar cells.

  4. Relation between interfacial structure and mechanical properties in AlN/TiN bilayers investigated by EXAFS

    International Nuclear Information System (INIS)

    Ersen, O.; Tuilier, M.-H.; Thobor-Keck, A.; Rousselot, C.; Cortes, R.

    2005-01-01

    The relation between the mechanical properties and the structure of AlN/TiN bilayers prepared by reactive magnetron sputtering in the 600 nm range is investigated. Al and Ti K-edge extended X-ray absorption fine structure is used in order to determine the local order around Al and Ti by comparison with 300 nm thick AlN and TiN single layers. The use of this powerful local probe allows the evidence of intermixing between AlN and TiN deposited layers, which is suggested by glow discharge optical emission spectroscopy experiments. The effect of ionic bombardment applied at various steps of the deposition process is studied. The ionic bombardment applied during the deposit induces substantial changes in the absorption spectra that are assigned to a decrease of intermixing and an improvement of local order. Simulations of (Al, Ti)N ternary alloys Al and Ti K-edge absorption spectra for increasing mean occupation factors C Ti (C Al ) of Ti(Al) substituting Al(Ti) in hexagonal AlN (cubic TiN) lattice are performed in order to determine the initial parameters for the fit of the experimental data. The refinements performed by using FEFFIT software demonstrate that an ionic bombardment applied during the deposition phase results in a significant reduction of the number of Al-Ti pairs within the bilayer and an improvement of the local order around Ti and Al, which is quantified by a decrease of the Debye-Waller parameters. This structural evolution is tentatively correlated with the improvement of mechanical properties of the bilayers

  5. Relation between interfacial structure and mechanical properties in AlN/TiN bilayers investigated by EXAFS

    Energy Technology Data Exchange (ETDEWEB)

    Ersen, O. [Equipe de Recherche Mecanique, Materiaux et Procedes de Fabrication, 61, rue Albert Camus, F-68093 Mulhouse (France)]. E-mail: ovidiu.ersen@ipcms.u-strasbg.fr; Tuilier, M.-H. [Equipe de Recherche Mecanique, Materiaux et Procedes de Fabrication, 61, rue Albert Camus, F-68093 Mulhouse (France); Thobor-Keck, A. [Centre de Recherche sur les Ecoulements les Surfaces et les Transferts (UMR CNRS 6000), ITSFC, 4, place Tharradin, BP 71427, F-25211 Montbeliard (France); Rousselot, C. [Centre de Recherche sur les Ecoulements les Surfaces et les Transferts (UMR CNRS 6000), ITSFC, 4, place Tharradin, BP 71427, F-25211 Montbeliard (France); Cortes, R. [Laboratoire de Physique de la Matiere Condensee (UMR CNRS 7643), Ecole Polytechnique, F-91128 Palaiseau cedex (France)

    2005-06-01

    The relation between the mechanical properties and the structure of AlN/TiN bilayers prepared by reactive magnetron sputtering in the 600 nm range is investigated. Al and Ti K-edge extended X-ray absorption fine structure is used in order to determine the local order around Al and Ti by comparison with 300 nm thick AlN and TiN single layers. The use of this powerful local probe allows the evidence of intermixing between AlN and TiN deposited layers, which is suggested by glow discharge optical emission spectroscopy experiments. The effect of ionic bombardment applied at various steps of the deposition process is studied. The ionic bombardment applied during the deposit induces substantial changes in the absorption spectra that are assigned to a decrease of intermixing and an improvement of local order. Simulations of (Al, Ti)N ternary alloys Al and Ti K-edge absorption spectra for increasing mean occupation factors C {sub Ti} (C {sub Al}) of Ti(Al) substituting Al(Ti) in hexagonal AlN (cubic TiN) lattice are performed in order to determine the initial parameters for the fit of the experimental data. The refinements performed by using FEFFIT software demonstrate that an ionic bombardment applied during the deposition phase results in a significant reduction of the number of Al-Ti pairs within the bilayer and an improvement of the local order around Ti and Al, which is quantified by a decrease of the Debye-Waller parameters. This structural evolution is tentatively correlated with the improvement of mechanical properties of the bilayers.

  6. Impact of amphiphilic molecules on the structure and stability of homogeneous sphingomyelin bilayer: Insights from atomistic simulations

    Science.gov (United States)

    Kumari, Pratibha; Kaur, Supreet; Sharma, Shobha; Kashyap, Hemant K.

    2018-04-01

    Modulation of lipid membrane properties due to the permeation of amphiphiles is an important biological process pertaining to many applications in the field of pharmaceutics, toxicology, and biotechnology. Sphingolipids are both structural and functional lipids that constitute an important component of mechanically stable and chemically resistant outer leaflets of plasma membranes. Here, we present an atomistic molecular dynamics simulation study to appreciate the concentration-dependent effects of small amphiphilic molecules, such as ethanol, acetone, and dimethyl sulfoxide (DMSO), on the structure and stability of a fully hydrated homogeneous N-palmitoyl-sphingomyelin (PSM) bilayer. The study reveals an increase in the lateral expansion of the bilayer along with disordering of the hydrophobic lipid tails on increasing the concentration of ethanol. At higher concentrations of ethanol, rupturing of the bilayer is quite evident through the analysis of partial electron density profiles and lipid tail order parameters. For ethanol containing systems, permeation of water molecules in the hydrophobic part of the bilayer is allowed through local defects made due to the entry of ethanol molecules via ethanol-ethanol and ethanol-PSM hydrogen bonds. Moreover, the extent of PSM-PSM hydrogen bonding decreases with increasing ethanol concentration. On the other hand, acetone and DMSO exhibit minimal effects on the stability of the PSM bilayer at their lower concentrations, but at higher concentrations they tend to enhance the stability of the bilayer. The simulated potential of mean force (PMF) profiles for the translocation of the three solutes studied reveal that the free-energy of transfer of an ethanol molecule across the PSM lipid head region is lower than that for acetone and DMSO molecules. However, highest free-energy rise in the core hydrophobic part of the bilayer is observed for the DMSO molecule, whereas the ethanol and acetone PMF profiles show a lower barrier in

  7. A QCM-D study of the concentration- and time-dependent interactions of human LL37 with model mammalian lipid bilayers.

    Science.gov (United States)

    Lozeau, Lindsay D; Rolle, Marsha W; Camesano, Terri A

    2018-07-01

    The human antimicrobial peptide LL37 is promising as an alternative to antibiotics due to its biophysical interactions with charged bacterial lipids. However, its clinical potential is limited due to its interactions with zwitterionic mammalian lipids leading to cytotoxicity. Mechanistic insight into the LL37 interactions with mammalian lipids may enable rational design of less toxic LL37-based therapeutics. To this end, we studied concentration- and time-dependent interactions of LL37 with zwitterionic model phosphatidylcholine (PC) bilayers with quartz crystal microbalance with dissipation (QCM-D). LL37 mass adsorption and PC bilayer viscoelasticity changes were monitored by measuring changes in frequency (Δf) and dissipation (ΔD), respectively. The Voigt-Kelvin viscoelastic model was applied to Δf and ΔD to study changes in bilayer thickness and density with LL37 concentration. At low concentrations (0.10-1.00 μM), LL37 adsorbed onto bilayers in a concentration-dependent manner. Further analyses of Δf, ΔD and thickness revealed that peptide saturation on the bilayers was a threshold for interactions observed above 2.00 μM, interactions that were rapid, multi-step, and reached equilibrium in a concentration- and time-dependent manner. Based on these data, we proposed a model of stable transmembrane pore formation at 2.00-10.0 μM, or transition from a primarily lipid to a primarily protein film with a transmembrane pore formation intermediate state at concentrations of LL37 > 10 μM. The concentration-dependent interactions between LL37 and PC bilayers correlated with the observed concentration-dependent biological activities of LL37 (antimicrobial, immunomodulatory and non-cytotoxic at 0.1-1.0 μM, hemolytic and some cytotoxicity at 2.0-13 μM and cytotoxic at >13 μM). Copyright © 2018 Elsevier B.V. All rights reserved.

  8. SplitDist—Calculating Split-Distances for Sets of Trees

    DEFF Research Database (Denmark)

    Mailund, T

    2004-01-01

    We present a tool for comparing a set of input trees, calculating for each pair of trees the split-distances, i.e., the number of splits in one tree not present in the other.......We present a tool for comparing a set of input trees, calculating for each pair of trees the split-distances, i.e., the number of splits in one tree not present in the other....

  9. Conformational study of the protegrin-1 (PG-1 dimer interaction with lipid bilayers and its effect

    Directory of Open Access Journals (Sweden)

    Nussinov Ruth

    2007-04-01

    Full Text Available Abstract Background Protegrin-1 (PG-1 is known as a potent antibiotic peptide; it prevents infection via an attack on the membrane surface of invading microorganisms. In the membrane, the peptide forms a pore/channel through oligomerization of multiple subunits. Recent experimental and computational studies have increasingly unraveled the molecular-level mechanisms underlying the interactions of the PG-1 β-sheet motifs with the membrane. The PG-1 dimer is important for the formation of oligomers, ordered aggregates, and for membrane damaging effects. Yet, experimentally, different dimeric behavior has been observed depending on the environment: antiparallel in the micelle environment, and parallel in the POPC bilayer. The experimental structure of the PG-1 dimer is currently unavailable. Results Although the β-sheet structures of the PG-1 dimer are less stable in the bulk water environment, the dimer interface is retained by two intermolecular hydrogen bonds. The formation of the dimer in the water environment implies that the pathway of the dimer invasion into the membrane can originate from the bulk region. In the initial contact with the membrane, both the antiparallel and parallel β-sheet conformations of the PG-1 dimer are well preserved at the amphipathic interface of the lipid bilayer. These β-sheet structures illustrate the conformations of PG-1 dimer in the early stage of the membrane attack. Here we observed that the activity of PG-1 β-sheets on the bilayer surface is strongly correlated with the dimer conformation. Our long-term goal is to provide a detailed mechanism of the membrane-disrupting effects by PG-1 β-sheets which are able to attack the membrane and eventually assemble into the ordered aggregates. Conclusion In order to understand the dimeric effects leading to membrane damage, extensive molecular dynamics (MD simulations were performed for the β-sheets of the PG-1 dimer in explicit water, salt, and lipid bilayers

  10. Electronic transport of bilayer graphene with asymmetry line defects

    International Nuclear Information System (INIS)

    Zhao Xiao-Ming; Chen Chan; Liang Ying; Kou Su-Peng; Wu Ya-Jie

    2016-01-01

    In this paper, we study the quantum properties of a bilayer graphene with (asymmetry) line defects. The localized states are found around the line defects. Thus, the line defects on one certain layer of the bilayer graphene can lead to an electric transport channel. By adding a bias potential along the direction of the line defects, we calculate the electric conductivity of bilayer graphene with line defects using the Landauer–Büttiker theory, and show that the channel affects the electric conductivity remarkably by comparing the results with those in a perfect bilayer graphene. This one-dimensional line electric channel has the potential to be applied in nanotechnology engineering. (paper)

  11. Charge generation in organic solar cell materials studied by terahertz spectroscopy

    KAUST Repository

    Scarongella, M.

    2015-09-09

    We have investigated the photophysics in neat films of conjugated polymer PBDTTPD and its blend with PCBM using terahertz time-domain spectroscopy. This material has very high efficiency when used in organic solar cells. We were able to identify a THz signature for bound excitons in neat PBDTTPD films, pointing to important delocalization in those excitons. Then, we investigated the nature and local mobility (orders of magnitude higher than bulk mobility) of charges in the PBDTTPPD:PCBM blend as a function of excitation wavelength, fluence and pump-probe time delay. At low pump fluence (no bimolecular recombination phenomena), we were able to observe prompt and delayed charge generation components, the latter originating from excitons created in neat polymer domains which, thanks to delocalization, could reach the PCBM interface and dissociate to charges on a time scale of 1 ps. The nature of the photogenerated charges did not change between 0.5 ps and 800 ps after photo-excitation, which indicated that the excitons split directly into relatively free charges on an ultrafast time scale. © (2015) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  12. Formulation and evaluation of bilayer tablets of metoclopramide hydrochloride and diclofenac sodium.

    Science.gov (United States)

    Gattani, Surendra G; Khabiya, Sohan S; Amrutkar, Jitendra R; Kushare, Sachin S

    2012-01-01

    The main objective of the present research work was to develop a bilayer tablet of metoclopramide hydrochloride (MTH) and diclofenac sodium (DS) in separate layers to avoid incompatibility and thus to maximize the efficacy of both drugs in combination for the effective treatment of migraine headaches. MTH and DS were formulated as immediate and sustained release layers respectively. In vitro dissolution kinetic studies of an optimized (D10) batch of DS in both sustained release layer and bilayer tablet forms show good linearity of regression coefficient 0.9773 (first order equation). The results reveal that an optimized immediate release layer (M5) of MTH and a sustained release layer (D10) of DS might be suitable for the treatment of migraine by sequential release of the two drugs in a bilayer tablet. Migraine is a type of recurring headache of moderate to severe intensity associated with gastrointestinal, neurological, and autonomic symptoms. In migraine, a combination of pretreatment with antiemetics is required for symptomatic treatment, when nausea and vomiting are severe. In our present research, we have selected the metoclopramide hydrochloride (MTH) active ingredient for study because it has an antiemetic effect and is a prokinetic agent. MTH is more effective to counteract gastric stasis associated with migraine, and it enhances the rate of absorption of non-steroidal anti-inflammatory drugs (NSAIDs). In the present investigation we combine MTH and a second active ingredient, diclofenac sodium, as a formulated bilayer tablet to prevent degradation of MTH.

  13. Optical and structural investigations of self-assembled Ge/Si bi-layer containing Ge QDs

    Energy Technology Data Exchange (ETDEWEB)

    Samavati, Alireza, E-mail: alireza.samavati@yahoo.com [Ibn Sina Institute for Fundamental Science Studies, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Othaman, Z., E-mail: zulothaman@gmail.com [Ibn Sina Institute for Fundamental Science Studies, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Ghoshal, S.K.; Dousti, M.R. [Advanced Optical Material Research Group, Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM Skudai, Johor (Malaysia)

    2014-10-15

    We report the influence of Si spacer thickness variation (10–40 nm) on structural and optical properties of Ge quantum dots (QDs) in Ge/Si(1 0 0) bi-layer grown by radio frequency magnetron sputtering. AFM images reveal the spacer dependent width, height, root mean square roughness and number density of QDs vary in the range of ∼12–25 nm, ∼2–6 nm, ∼1.95–1.05 nm and ∼0.55×10{sup 11}–2.1×10{sup 11} cm{sup −2}, respectively. XRD patterns exhibit the presence of poly-oriented structures of Ge with preferred growth along (1 1 1) direction accompanied by a reduction in strain from 4.9% to 1.2% (estimated from Williamson–Hall plot) due to bi-layering. The room temperature luminescence displays strong blue–violet peak associated with a blue shift as much as 0.05 eV upon increasing the thickness of Si spacer. This shift is attributed to the quantum size effect, the material intermixing and the strain mediation. Raman spectra for both mono and bi-layer samples show intense Ge–Ge optical phonon mode that is shifted towards higher frequency. Furthermore, the first order features of Raman spectra affirm the occurrence of interfacial intermixing and phase formation during deposition. The excellent features of the results suggest that our systematic method may constitute a basis for the tunable growth of Ge QDs suitable in nanophotonics. - Highlights: • High quality bilayered hetero-structure Ge/Si using economic and easy rf magnetron sputtering fabrication method. • The role of phonon-confinement and strain relaxation mechanisms. • Influence of bilayering on evolutionary growth dynamics. • Band gap shift of visible PL upon bilayering.

  14. M-Split: A Graphical User Interface to Analyze Multilayered Anisotropy from Shear Wave Splitting

    Science.gov (United States)

    Abgarmi, Bizhan; Ozacar, A. Arda

    2017-04-01

    Shear wave splitting analysis are commonly used to infer deep anisotropic structure. For simple cases, obtained delay times and fast-axis orientations are averaged from reliable results to define anisotropy beneath recording seismic stations. However, splitting parameters show systematic variations with back azimuth in the presence of complex anisotropy and cannot be represented by average time delay and fast axis orientation. Previous researchers had identified anisotropic complexities at different tectonic settings and applied various approaches to model them. Most commonly, such complexities are modeled by using multiple anisotropic layers with priori constraints from geologic data. In this study, a graphical user interface called M-Split is developed to easily process and model multilayered anisotropy with capabilities to properly address the inherited non-uniqueness. M-Split program runs user defined grid searches through the model parameter space for two-layer anisotropy using formulation of Silver and Savage (1994) and creates sensitivity contour plots to locate local maximas and analyze all possible models with parameter tradeoffs. In order to minimize model ambiguity and identify the robust model parameters, various misfit calculation procedures are also developed and embedded to M-Split which can be used depending on the quality of the observations and their back-azimuthal coverage. Case studies carried out to evaluate the reliability of the program using real noisy data and for this purpose stations from two different networks are utilized. First seismic network is the Kandilli Observatory and Earthquake research institute (KOERI) which includes long term running permanent stations and second network comprises seismic stations deployed temporary as part of the "Continental Dynamics-Central Anatolian Tectonics (CD-CAT)" project funded by NSF. It is also worth to note that M-Split is designed as open source program which can be modified by users for

  15. In situ atomic force microscope imaging of supported lipid bilayers

    DEFF Research Database (Denmark)

    Kaasgaard, Thomas; Leidy, Chad; Ipsen, John Hjorth

    2001-01-01

    In situ AFM images of phospholipase A/sub 2/ (PLA/sub 2/) hydrolysis of mica-supported one- and two-component lipid bilayers are presented. For one-component DPPC bilayers an enhanced enzymatic activity is observed towards preexisting defects in the bilayer. Phase separation is observed in two-co...

  16. The background-quantum split symmetry in two-dimensional σ-models

    International Nuclear Information System (INIS)

    Blasi, A.; Delduc, F.; Sorella, S.P.

    1989-01-01

    A generic, non-linear, background-quantum split is translated into a BRS symmetry. The renormalization of the resulting Slavnov-Taylor identity is analyzed in the class of two-dimensional σ-models with Wess-Zumino term which suggests the adoption of a regularization independent method. We discuss the cohomology of the linearized nilpotent operator derived from the Slavnov-Taylor identity. In particular, the cohomology class with zero Faddeev-Popov charge ensures the stability of the action, while the fact that the cohomology class with one unit of Faddeev-Popov charge is empty ensures the absence of anomalies. (orig.)

  17. Electron transport in a bilayer graphene/layered superconductor NbSe2 junction: effect of work function difference

    Science.gov (United States)

    Yarimizu, Katsuhide; Tomori, Hikari; Watanabe, Kenji; Taniguchi, Takashi; Kanda, Akinobu

    2018-03-01

    We have experimentally studied electron transport in a bilayer graphene (BLG)/layered superconductor NbSe2 junction encapsulated with hexagonal boron nitride. The junction exhibits nonlinear current-voltage characteristics which strongly depend on the gate voltage around the charge neutrality point (CNP) of the BLG. Besides, we observe that the gate voltage dependence of electron transport in the BLG portion close to the junction interface is different from that of the BLG portion apart from the interface, indicating that the spatial variation of the Dirac point in the charge transfer region due to the difference in work function between superconductor and graphene needs to be considered in the analysis of the superconducting proximity effect.

  18. Point-splitting regularization of composite operators and anomalies

    International Nuclear Information System (INIS)

    Novotny, J.; Schnabl, M.

    2000-01-01

    The point-splitting regularization technique for composite operators is discussed in connection with anomaly calculation. We present a pedagogical and self-contained review of the topic with an emphasis on the technical details. We also develop simple algebraic tools to handle the path ordered exponential insertions used within the covariant and non-covariant version of the point-splitting method. The method is then applied to the calculation of the chiral, vector, trace, translation and Lorentz anomalies within diverse versions of the point-splitting regularization and a connection between the results is described. As an alternative to the standard approach we use the idea of deformed point-split transformation and corresponding Ward-Takahashi identities rather than an application of the equation of motion, which seems to reduce the complexity of the calculations. (orig.)

  19. Bifurcation of self-folded polygonal bilayers

    Science.gov (United States)

    Abdullah, Arif M.; Braun, Paul V.; Hsia, K. Jimmy

    2017-09-01

    Motivated by the self-assembly of natural systems, researchers have investigated the stimulus-responsive curving of thin-shell structures, which is also known as self-folding. Self-folding strategies not only offer possibilities to realize complicated shapes but also promise actuation at small length scales. Biaxial mismatch strain driven self-folding bilayers demonstrate bifurcation of equilibrium shapes (from quasi-axisymmetric doubly curved to approximately singly curved) during their stimulus-responsive morphing behavior. Being a structurally instable, bifurcation could be used to tune the self-folding behavior, and hence, a detailed understanding of this phenomenon is appealing from both fundamental and practical perspectives. In this work, we investigated the bifurcation behavior of self-folding bilayer polygons. For the mechanistic understanding, we developed finite element models of planar bilayers (consisting of a stimulus-responsive and a passive layer of material) that transform into 3D curved configurations. Our experiments with cross-linked Polydimethylsiloxane samples that change shapes in organic solvents confirmed our model predictions. Finally, we explored a design scheme to generate gripper-like architectures by avoiding the bifurcation of stimulus-responsive bilayers. Our research contributes to the broad field of self-assembly as the findings could motivate functional devices across multiple disciplines such as robotics, artificial muscles, therapeutic cargos, and reconfigurable biomedical devices.

  20. Pseudospin-orbit splitting and its consequences for the central depression in nuclear density

    Science.gov (United States)

    Li, Jia Jie; Long, Wen Hui; Song, Jun Ling; Zhao, Qiang

    2016-05-01

    The occurrence of the bubble-like structure has been studied, in the light of pseudospin degeneracy, within the relativistic Hartree-Fock-Bogoliubov (RHFB) theory. It is concluded that the charge/neutron bubble-like structure is predicted to occur in the mirror system of {34Si,34Ca } commonly by the selected Lagrangians, due to the persistence of Z (N )=14 subshell gaps above which the π (ν ) 2 s1 /2 states are not occupied. However, for the popular candidate 46Ar, the RHFB Lagrangian PKA1 does not support the occurrence of the bubble-like structure in the charge (proton) density profiles, due to the almost degenerate pseudospin doublet {π 2 s1 /2,π 1 d3 /2} and coherent pairing effects. The formation of a semibubble in heavy nuclei is less possible as a result of small pseudospin-orbit (PSO) splitting, while it tends to appear at Z =120 superheavy systems which coincides with large PSO splitting of the doublet {π 3 p3 /2,π 2 f5 /2} and couples with significant shell effects. Pairing correlations, which can work against bubble formation, significantly affect the PSO splitting. Furthermore, we found that the influence on semibubble formation due to different types of pairing interactions is negligible. The quenching of the spin-orbit splitting in the p orbit has been also stressed, and it may be considered the hallmark for semibubble nuclei.

  1. Magnetic flux distributions in chiral helimagnet/superconductor bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Masaru, E-mail: kato@ms.osakafu-u.ac.jp [Department of Mathematical Sciences, Osaka Prefecture University, 1-1, Gakuencho, Nakaku, Sakai, Osaka 599-8531 (Japan); Fukui, Saoto [Department of Mathematical Sciences, Osaka Prefecture University, 1-1, Gakuencho, Nakaku, Sakai, Osaka 599-8531 (Japan); Sato, Osamu [Osaka Prefecture University College of Technology, 26-12, Saiwaicho, Neyagawa, Osaka 572-8572 (Japan); Togawa, Yoshihiko [Department of Physics and Electronics, Osaka Prefecture University, 1-1, Gakuencho, Nakaku, Sakai, Osaka 599-8531 (Japan)

    2017-02-15

    Highlights: • Vortex states in a chiral helimagnet/superconductor bilayer are investigated. • Vortex and anti-vortex appears depending on strength of helimagnet. • Vortex is elongated under a gradient field. • Vortices form a undulated triangular lattice. - Abstarct: Vortex states in a chiral helimagnet/superconductor bilayer are investigated numerically, using the Ginzburg–Landau equations with the finite element method. In this bilayer, effect of the chiral helimagnet on the superconductor is taken as an external field. Magnetic field distribution can be controlled by an applied field to the bilayer. It is shown that a single vortex in a gradient field is elongated along the field gradient. In zero applied field, there are up- and down vortices which are parallel or antiparallel to the z-axis, respectively. But increasing the applied field, down-vortices disappear and up-vortices form undulated triangular lattices.

  2. Interfacial exciplex formation in bilayers of conjugated polymers

    Science.gov (United States)

    Nobuyasu, R. S.; Araujo, K. A. S.; Cury, L. A.; Jarrosson, T.; Serein-Spirau, F.; Lère-Porte, J.-P.; Dias, F. B.; Monkman, A. P.

    2013-10-01

    The donor-acceptor interactions in sequential bilayer and blend films are investigated. Steady-state and time-resolved photoluminescence (PL) were measured to characterize the samples at different geometries of photoluminescence collection. At standard excitation, with the laser incidence at 45° of the normal direction of the sample surface, a band related to the aggregate states of donor molecules appears for both blend and bilayer at around 540 nm. For the PL spectra acquired from the edge of the bilayer, with the laser incidence made at normal direction of the sample surface (90° geometry), a new featureless band emission, red-shifted from donor and acceptor emission regions was observed and assigned as the emission from interfacial exciplex states. The conformational complexity coming from donor/acceptor interactions at the heterojunction interface of the bilayer is at the origin of this interfacial exciplex emission.

  3. Transport properties in monolayer-bilayer-monolayer graphene planar junctions

    Institute of Scientific and Technical Information of China (English)

    Kai-Long Chu; Zi-Bo Wang; Jiao-Jiao Zhou; Hua Jiang

    2017-01-01

    The transport study of graphene based junctions has become one of the focuses in graphene research.There are two stacking configurations for monolayer-bilayer-monolayer graphene planar junctions.One is the two monolayer graphene contacting the same side of the bilayer graphene,and the other is the two-monolayer graphene contacting the different layers of the bilayer graphene.In this paper,according to the Landauer-Büttiker formula,we study the transport properties of these two configurations.The influences of the local gate potential in each part,the bias potential in bilayer graphene,the disorder and external magnetic field on conductance are obtained.We find the conductances of the two configurations can be manipulated by all of these effects.Especially,one can distinguish the two stacking configurations by introducing the bias potential into the bilayer graphene.The strong disorder and the external magnetic field will make the two stacking configurations indistinguishable in the transport experiment.

  4. Magnetically assisted bilayer composites for soft bending actuators

    NARCIS (Netherlands)

    Jang, S.H.; Na, Seon Hong; Park, Yong Lae

    2017-01-01

    This article presents a soft pneumatic bending actuator using a magnetically assisted bilayer composite composed of silicone polymer and ferromagnetic particles. Bilayer composites were fabricated by mixing ferromagnetic particles to a prepolymer state of silicone in a mold and asymmetrically

  5. X-ray absorption measurements of charge-ordered La{sub 0.5}Sr{sub 1.5}MnO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Saitoh, T.; Villella, P.M.; Dessau, D.S. [Univ. of Colorado, Boulder, CO (United States)] [and others

    1997-04-01

    Perovskite and {open_quotes}layered perovskite{close_quotes}-type manganese oxides show a variety of electronic and magnetic properties such as the colossal magnetoresistance (CMR) or the charge ordering. Among them, La{sub 0.5}Sr{sub 1.5}MnO{sub 4} (K{sub 2}NiF{sub 4} structure) which has 0.5 holes per Mn site (d{sup 3.5}) shows the charge-order transition at {approximately}220 K below which Mn{sup 3+} and Mn{sup 4+} sites are believed to order in the CE-type. Although the charge ordering phenomenon has also been observed in the perovskite manganites Pr{sub 0.5}Sr{sub 1.5}MnO{sub 3} or Pr{sub 0.5}Ca{sub 1.5}MnO{sub 3}, the present system has another advantage that it has a layered structure. This enables the authors to address the issue of the orbital symmetry which should be directly related to the charge ordering. In this report, they present the results of x-ray absorption spectroscopy (XAS) on La{sub 0.5}Sr{sub 1.5}MnO{sub 4}, for two polarization angles and two (above and below the transition temperature T{sub CO}) temperatures.

  6. Phonon stiffen and soften at zigzag- and armchair-dominated edges of exfoliated bilayer graphene ribbon presented by Raman spectra

    Science.gov (United States)

    Xia, Minggang; Zhou, Xiaohua; Xin, Duqiang; Xu, Qiang

    2018-01-01

    The Raman spectra at the edge of the exfoliated bilayer graphene ribbon (GR) were investigated in detail. Results show that both G and 2D phonons stiffen (wave number increases) at zigzag-dominated edge, while they soften at armchair-dominated edge compared with those at the middle position in the GR. Furthermore, the full widths at half maximum intensity of both G and 2D Raman peaks narrow at the zigzag-dominated edge, while they broaden at the armchair-dominated edge. The stiffness and softness are attributed to the C-C bonds at the edge. For zigzag-dominated edge, the stiffness may originate in the increase of the force constant induced by the shrinking of C-C bond. For armchair-dominated edge, the softness may be due to the decrease of the force constant induced by the unsaturated hanging bonds at edge, which is different from Kohn anomaly and charge doping. The analysis is in agreement well with others calculation results about C-C bonds and the edge energy. These results may be useful to understand physical properties at the bilayer graphene edge and for applications in the device by taking advantage of the edge states in bilayer graphene.

  7. Photocatalytic and Photoelectrochemical Water Splitting by Inorganic Materials

    KAUST Repository

    Deng, Xiaohui

    2012-12-01

    Hydrogen has been identified as a potential energy carrier due to its high energy capacity and environmental harmlessness. Compared with hydrogen production from hydrocarbons such as methane and naphtha in a conventional hydrogen energy system, photocatalytic hydrogen evolution from water splitting offers a more economic approach since it utilizes the abundant solar irradiation as energy source and water as initial reactant. Powder photocatalyst, which generates electrons and holes under illumination, is the origin where the overall reaction happens. High solar energy conversion efficiency especially from visible range is commonly the target. Besides, cocatalyst for hydrogen and oxygen evolution is also playing an essential role in facilitating the charge separation and enhancing the kinetics. In this thesis, the objective is to achieve high energy conversion efficiency towards water splitting from diverse aspects. The third chapter focuses on a controllable method to fabricate metal pattern, which is candidate for hydrogen evolution cocatalyst while chapter 4 is on the combination of strontium titanium oxide (SrTiO3) with graphene oxide (GO) for a better photocatalytic performance. In the last chapter, photoelectrochemical water splitting by Ta3N5 photoanode and FeOOH as a novel oxygen evolution cocatalyst has been investigated.

  8. Experimental evidence of adiabatic splitting of charged particle beams using stable islands of transverse phase space

    Directory of Open Access Journals (Sweden)

    S. Gilardoni

    2006-10-01

    Full Text Available Recently, a novel technique to perform multiturn extraction from a circular particle accelerator was proposed. It is based on beam splitting and trapping, induced by a slow crossing of a nonlinear resonance, inside stable islands of transverse phase space. Experiments at the CERN Proton Synchrotron started in 2002 and evidence of beam splitting was obtained by summer 2004. In this paper, the measurement results achieved with both a low- and a high-intensity, single-bunch proton beam are presented.

  9. Predicting proton titration in cationic micelle and bilayer environments

    Science.gov (United States)

    Morrow, Brian H.; Eike, David M.; Murch, Bruce P.; Koenig, Peter H.; Shen, Jana K.

    2014-08-01

    Knowledge of the protonation behavior of pH-sensitive molecules in micelles and bilayers has significant implications in consumer product development and biomedical applications. However, the calculation of pKa's in such environments proves challenging using traditional structure-based calculations. Here we apply all-atom constant pH molecular dynamics with explicit ions and titratable water to calculate the pKa of a fatty acid molecule in a micelle of dodecyl trimethylammonium chloride and liquid as well as gel-phase bilayers of diethyl ester dimethylammonium chloride. Interestingly, the pKa of the fatty acid in the gel bilayer is 5.4, 0.4 units lower than that in the analogous liquid bilayer or micelle, despite the fact that the protonated carboxylic group is significantly more desolvated in the gel bilayer. This work illustrates the capability of all-atom constant pH molecular dynamics in capturing the delicate balance in the free energies of desolvation and Coulombic interactions. It also shows the importance of the explicit treatment of ions in sampling the protonation states. The ability to model dynamics of pH-responsive substrates in a bilayer environment is useful for improving fabric care products as well as our understanding of the side effects of anti-inflammatory drugs.

  10. Predicting proton titration in cationic micelle and bilayer environments

    Energy Technology Data Exchange (ETDEWEB)

    Morrow, Brian H.; Shen, Jana K. [Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland 21201 (United States); Eike, David M.; Murch, Bruce P.; Koenig, Peter H. [Computational Chemistry, Modeling and Simulation GCO, Procter and Gamble, Cincinnati, Ohio 45201 (United States)

    2014-08-28

    Knowledge of the protonation behavior of pH-sensitive molecules in micelles and bilayers has significant implications in consumer product development and biomedical applications. However, the calculation of pK{sub a}’s in such environments proves challenging using traditional structure-based calculations. Here we apply all-atom constant pH molecular dynamics with explicit ions and titratable water to calculate the pK{sub a} of a fatty acid molecule in a micelle of dodecyl trimethylammonium chloride and liquid as well as gel-phase bilayers of diethyl ester dimethylammonium chloride. Interestingly, the pK{sub a} of the fatty acid in the gel bilayer is 5.4, 0.4 units lower than that in the analogous liquid bilayer or micelle, despite the fact that the protonated carboxylic group is significantly more desolvated in the gel bilayer. This work illustrates the capability of all-atom constant pH molecular dynamics in capturing the delicate balance in the free energies of desolvation and Coulombic interactions. It also shows the importance of the explicit treatment of ions in sampling the protonation states. The ability to model dynamics of pH-responsive substrates in a bilayer environment is useful for improving fabric care products as well as our understanding of the side effects of anti-inflammatory drugs.

  11. Two-loop QED corrections to the Altarelli-Parisi splitting functions

    Energy Technology Data Exchange (ETDEWEB)

    Florian, Daniel de [International Center for Advanced Studies (ICAS), UNSAM,Campus Miguelete, 25 de Mayo y Francia (1650) Buenos Aires (Argentina); Sborlini, Germán F.R.; Rodrigo, Germán [Instituto de Física Corpuscular, Universitat de València,Consejo Superior de Investigaciones Científicas,Parc Científic, E-46980 Paterna, Valencia (Spain)

    2016-10-11

    We compute the two-loop QED corrections to the Altarelli-Parisi (AP) splitting functions by using a deconstructive algorithmic Abelianization of the well-known NLO QCD corrections. We present explicit results for the full set of splitting kernels in a basis that includes the leptonic distribution functions that, starting from this order in the QED coupling, couple to the partonic densities. Finally, we perform a phenomenological analysis of the impact of these corrections in the splitting functions.

  12. Characteristics of Bilayer Molybdenum Films Deposited Using RF Sputtering for Back Contact of Thin Film Solar Cells

    Directory of Open Access Journals (Sweden)

    Sea-Fue Wang

    2014-01-01

    Full Text Available Mo films prepared under a single deposition condition seldom simultaneously obtain a low resistivity and a good adhesion necessary for use in solar cells. In order to surmount the obstacle, bilayer Mo films using DC sputtering at a higher working pressure and a lower working pressure have been attempted as reported in the literature. In this study, RF sputtering with different powers in conjunction with different working pressures was explored to prepare bilayer Mo film. The first bottom layer was grown at a RF sputtering power of 30 W and a working pressure of 12 mTorr, and the second top layer was deposited at 100 W and 4.5 mTorr. The films revealed a columnar growth with a preferred orientation along the (110 plane. The bilayer Mo films reported an electrical resistivity of 6.35 × 10−5 Ω-cm and passed the Scotch tape test for adhesion to the soda-lime glass substrate, thereby qualifying the bilayer Mo films for use as back metal contacts for CIGS substrates.

  13. Devil's staircase of odd-number charge order modulations in divalent β -vanadium bronzes under pressure

    Science.gov (United States)

    Yamauchi, Touru; Ueda, Hiroaki; Ohwada, Kenji; Nakao, Hironori; Ueda, Yutaka

    2018-03-01

    A common characteristic of quasi-one-dimensional (q1D) conductors β -A0.33V2O5 (A = Li, Na, and Ag) is that the charge ordering (CO), the ground state (GS) at ambient pressure, and the superconducting (SC) phases, the GS under high pressure, are competing with each other. We have explored high-pressure properties of divalent β -vanadium bronzes, β -A0.33V2O5 (A = Ca, Sr, and Pb), which are A -cation stoichiometry finely controlled single-crystal/powder samples, and found the absence of the SC phase. In these observations, however, we observed enormous and novel phase transitions, a kind of "devil's staircase"-type phase transitions in the charge ordering (CO) phases. The most surprising discovery in this devil's staircase, which was found mainly in β -Sr0.33V2O5 , is that all the charge modulation vectors of many kinds of CO phases can be represented as a primitive lattice translation vector along the b axis multiplied by several odd numbers. This discovery surely demonstrates interplay between the charge degree freedom and the crystallographic symmetry. We propose two possible mechanisms to explain this phenomenon: "self-charge transfer (carrier redistribution)" between the two subsystems in these compounds and "sequential symmetry reduction" that was discussed in Landau theory of phase transitions. In β -Ca0.33V2O5 we also found a P -T phase diagram similar in outlook but different in detail. The devil's staircase was also observed but it is an incomplete one. Furthermore, the charge modulation vectors in it are shorter than those in β -Sr0.33V2O5 . In β -Pb0.33V2O5 , which has no CO phase at ambient pressure, the pressure-induced antiferromagnetic ordering was observed at around 50 K above 0.5 GPa. Using these two kinds of mechanisms, we also explain the global high-pressure properties in all the stoichiometric divalent β -vanadium bronzes, which were observed as a wide variety of electromagnetic states. In addition, we also discuss a possible key for

  14. Organic charge transfer phase formation in thin films of the BEDT-TTF/TCNQ donor-acceptor system

    DEFF Research Database (Denmark)

    Solovyeva, Vita; Keller, K.; Huth, M.

    2009-01-01

    We have performed charge transfer phase formation studies on the donor/acceptor system bis-(ethylendithio)tetrathiafulvalene (BEDT-TTF)/tetracyanoquinodimethane,(TCNQ) by means of physical vapor deposition. We prepared donor/acceptor bilayer structures on glass and Si(100)/SiO substrates held...

  15. SFG studies on interactions between antimicrobial peptides and supported lipid bilayers.

    Science.gov (United States)

    Chen, Xiaoyun; Chen, Zhan

    2006-09-01

    The mode of action of antimicrobial peptides (AMPs) in disrupting cell membrane bilayers is of fundamental importance in understanding the efficiency of different AMPs, which is crucial to design antibiotics with improved properties. Recent developments in the field of sum frequency generation (SFG) vibrational spectroscopy have made it a powerful and unique biophysical technique in investigating the interactions between AMPs and a single substrate supported planar lipid bilayer. We will review some of the recent progress in applying SFG to study membrane lipid bilayers and discuss how SFG can provide novel information such as real-time bilayer structure change and AMP orientation during AMP-lipid bilayer interactions in a very biologically relevant manner. Several examples of applying SFG to monitor such interactions between AMPs and a dipalmitoyl phosphatidylglycerol (DPPG) bilayer are presented. Different modes of actions are observed for melittin, tachyplesin I, d-magainin 2, MSI-843, and a synthetic antibacterial oligomer, demonstrating that SFG is very effective in the study of AMPs and AMP-lipid bilayer interactions.

  16. Nonequilibrium response of an electron-mediated charge density wave ordered material to a large dc electric field

    Science.gov (United States)

    Matveev, O. P.; Shvaika, A. M.; Devereaux, T. P.; Freericks, J. K.

    2016-01-01

    Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for the nonlinear response of an electron-mediated charge-density-wave-ordered material. We examine both the dc current and the order parameter of the conduction electrons as the ordered system is driven by the electric field. Although the formalism we develop applies to all models, for concreteness, we examine the charge-density-wave phase of the Falicov-Kimball model, which displays a number of anomalous behaviors including the appearance of subgap density of states as the temperature increases. These subgap states should have a significant impact on transport properties, particularly the nonlinear response of the system to a large dc electric field.

  17. Alpha-tocopherol inhibits pore formation in oxidized bilayers

    NARCIS (Netherlands)

    Boonnoy, P.; Karttunen, M.; Wong-Ekkabut, J.

    2017-01-01

    In biological membranes, alpha-tocopherols (α-toc; vitamin E) protect polyunsaturated lipids from free radicals. Although the interactions of α-toc with non-oxidized lipid bilayers have been studied, their effects on oxidized bilayers remain unknown. In this study, atomistic molecular dynamics (MD)

  18. The radiation effects on lipid bilayers

    International Nuclear Information System (INIS)

    Ikigai, Hajime; Matsuura, Tomio; Narita, Noboru; Ozawa, Atsushi.

    1980-01-01

    The Radiation effects on lipid bilayers are studied by the electron spin resonance. Egg lecithin liposomes and human erythrocytes are labeled with spin probes (5 SAL, 12 SAL). Effects of membrane fluidity by X-Ray (or ultraviolet) irradiation are measured by change of the order parameter S. The results obtained are as follows: 1) A similar tendency is observed on the order parameter S between X-Ray irradiated egg lecithin liposomes and human erythrocytes. 2) The rapid changes of the membrane fluidity are observed below 1 krad. The fluctuation of membrane fluidity decreases above 1 krad, consequently the membrane has a tendency changing to a rigid state at low dose area. 3) It is suggested that the more effective radicals are hydroxyl radicals and superoxide radicals. 4) The effects of ultraviolet irradiation with hydrogen peroxide show that hydroxyl radicals lead to changes of membrane fluidity. (author)

  19. Polarized triple-collinear splitting functions at NLO for processes with photons

    International Nuclear Information System (INIS)

    Sborlini, Germán F.R.; Florian, Daniel de; Rodrigo, Germán

    2015-01-01

    We compute the polarized splitting functions in the triple collinear limit at next-to-leading order accuracy (NLO) in the strong coupling α_S, for the splitting processes γ→qq-barγ, γ→qq-barg and g→qq-barγ. The divergent structure of each splitting function was compared to the predicted behaviour according to Catani’s formula. The results obtained in this paper are compatible with the unpolarized splitting functions computed in a previous article. Explicit results for NLO corrections are presented in the context of conventional dimensional regularization (CDR).

  20. Polarized triple-collinear splitting functions at NLO for processes with photons

    Energy Technology Data Exchange (ETDEWEB)

    Sborlini, Germán F.R. [Departamento de Física and IFIBA, FCEyN, Universidad de Buenos Aires (1428) Pabellón 1 Ciudad Universitaria, Capital Federal (Argentina); Instituto de Física Corpuscular, Universitat de València,Consejo Superior de Investigaciones Científicas,Parc Científic, E-46980 Paterna, Valencia (Spain); Florian, Daniel de [Departamento de Física and IFIBA, FCEyN, Universidad de Buenos Aires (1428) Pabellón 1 Ciudad Universitaria, Capital Federal (Argentina); Rodrigo, Germán [Instituto de Física Corpuscular, Universitat de València,Consejo Superior de Investigaciones Científicas,Parc Científic, E-46980 Paterna, Valencia (Spain)

    2015-03-04

    We compute the polarized splitting functions in the triple collinear limit at next-to-leading order accuracy (NLO) in the strong coupling α{sub S}, for the splitting processes γ→qq-barγ, γ→qq-barg and g→qq-barγ. The divergent structure of each splitting function was compared to the predicted behaviour according to Catani’s formula. The results obtained in this paper are compatible with the unpolarized splitting functions computed in a previous article. Explicit results for NLO corrections are presented in the context of conventional dimensional regularization (CDR).

  1. Stability of zero-mode Landau levels in bilayer graphene against disorder in the presence of the trigonal warping

    International Nuclear Information System (INIS)

    Kawarabayashi, Tohru; Hasugai, Yasuhiro; Aoki, Hideo

    2013-01-01

    The stability of the zero-energy Landau levels in bilayer graphene against the chiral symmetric disorder is examined in the presence of the trigonal warping. Based on the tight-binding lattice model with a bond disorder correlated over several lattice constants, it is shown that among the four Landau levels per spin and per valley, two Landau levels exhibit the anomalous sharpness as in the absence of the trigonal warping, while the other two are broadened, yielding split peaks in the density of states. This can be attributed to the fact that the total chirality in each valley is ±2, which is protected topologically even in the presence of an intra-valley scattering due to disorder

  2. Isospin dependence of the spin-orbit splitting in nuclei

    International Nuclear Information System (INIS)

    Isakov, V.I.

    2007-01-01

    The analysis has been made of experimental data on level spectra, single-nucleon transfer reactions near closed shells, and data on polarization effects in charge-exchange (p, n) reactions between isoanalogous states of nuclei with even A. It is concluded that there is a significant difference between the spin-orbit splittings of neutrons and protons in identical orbitals. This conclusion is confirmed in the frame work of different theoretical approaches [ru

  3. Chiral Tunnelling in Twisted Graphene Bilayer

    OpenAIRE

    He, Wen-Yu; Chu, Zhao-Dong; He, Lin

    2013-01-01

    The perfect transmission in graphene monolayer and the perfect reflection in Bernal graphene bilayer for electrons incident in the normal direction of a potential barrier are viewed as two incarnations of the Klein paradox. Here we show a new and unique incarnation of the Klein paradox. Owing to the different chiralities of the quasiparticles involved, the chiral fermions in twisted graphene bilayer shows adjustable probability of chiral tunnelling for normal incidence: they can be changed fr...

  4. Probing interfacial characteristics of rubrene/pentacene and pentacene/rubrene bilayers with soft X-ray spectroscopy.

    Science.gov (United States)

    Seo, J H; Pedersen, T M; Chang, G S; Moewes, A; Yoo, K-H; Cho, S J; Whang, C N

    2007-08-16

    The electronic structure of rubrene/pentacene and pentacene/rubrene bilayers has been investigated using soft X-ray absorption spectroscopy, resonant X-ray emission spectroscopy, and density-functional theory calculations. X-ray absorption and emission measurements reveal that it has been possible to alter the lowest unoccupied and the highest occupied molecular orbital states of rubrene in rubrene/pentacene bilayer. In the reverse case, one gets p* molecular orbital states originating from the pentacene layer. Resonant X-ray emission spectra suggest a reduction in the hole-transition probabilities for the pentacene/rubrene bilayer in comparison to reference pentacene layer. For the rubrenepentacene structure, the hole-transition probability shows an increase in comparison to the rubrene reference. We also determined the energy level alignment of the pentacene-rubrene interface by using X-ray and ultraviolet photoelectron spectroscopy. From these comparisons, it is found that the electronic structure of the pentacene-rubrene interface has a strong dependence on interface characteristics which depends on the order of the layers used.

  5. GABA_A receptor function is regulated by lipid bilayer elasticity

    DEFF Research Database (Denmark)

    Søgaard, Rikke; Werge, Thomas; Berthelsen, Camilla

    2006-01-01

    ( s) underlying these effects are poorly understood. DHA and Triton X-100, at concentrations that affect GABAA receptor function, increase the elasticity of lipid bilayers measured as decreased bilayer stiffness using gramicidin channels as molecular force transducers. We have previously shown...... reduced the peak amplitude of the GABA-induced currents and increased the rate of receptor desensitization. The effects of the amphiphiles did not correlate with the expected changes in monolayer spontaneous curvature. We conclude that GABAA receptor function is regulated by lipid bilayer elasticity....... PUFAs may generally regulate membrane protein function by affecting the elasticity of the host lipid bilayer....

  6. Lipid peroxidation and water penetration in lipid bilayers

    DEFF Research Database (Denmark)

    Conte, Elena; Megli, Francesco Maria; Khandelia, Himanshu

    2012-01-01

    to the hydroperoxide groups to interact with the nitroxide at the methyl-terminal, confirming that the H-bonds experimentally observed are due to increased water penetration in the bilayer. The EPR and MD data on model membranes demonstrate that cell membrane damage by oxidative stress cause alteration of water......(zz) parameters revealed that OHPLPC, but mostly HpPLPC, induced a measurable increase in polarity and H-bonding propensity in the central region of the bilayer. Molecular dynamics simulation performed on 16-DSA in the PLPC-HpPLPC bilayer revealed that water molecules are statistically favored with respect...

  7. DSC and EPR investigations on effects of cholesterol component on molecular interactions between paclitaxel and phospholipid within lipid bilayer membrane.

    Science.gov (United States)

    Zhao, Lingyun; Feng, Si-Shen; Kocherginsky, Nikolai; Kostetski, Iouri

    2007-06-29

    Differential scanning calorimetry (DSC) and electron paramagnetic resonance spectroscopy (EPR) were applied to investigate effects of cholesterol component on molecular interactions between paclitaxel, which is one of the best antineoplastic agents found from nature, and dipalmitoylphosphatidylcholine (DPPC) within lipid bilayer vesicles (liposomes), which could also be used as a model cell membrane. DSC analysis showed that incorporation of paclitaxel into the DPPC bilayer causes a reduction in the cooperativity of bilayer phase transition, leading to a looser and more flexible bilayer structure. Including cholesterol component in the DPPC/paclitaxel mixed bilayer can facilitate the molecular interaction between paclitaxel and lipid and make the tertiary system more stable. EPR analysis demonstrated that both of paclitaxel and cholesterol have fluidization effect on the DPPC bilayer membranes although cholesterol has more significant effect than paclitaxel does. The reduction kinetics of nitroxides by ascorbic acid showed that paclitaxel can inhibit the reaction by blocking the diffusion of either the ascorbic acid or nitroxide molecules since the reaction is tested to be a first order one. Cholesterol can remarkably increase the reduction reaction speed. This research may provide useful information for optimizing liposomal formulation of the drug as well as for understanding the pharmacology of paclitaxel.

  8. Controllable Charge Transfer in Ag-TiO2 Composite Structure for SERS Application

    Directory of Open Access Journals (Sweden)

    Yaxin Wang

    2017-06-01

    Full Text Available The nanocaps array of TiO2/Ag bilayer with different Ag thicknesses and co-sputtering TiO2-Ag monolayer with different TiO2 contents were fabricated on a two-dimensional colloidal array substrate for the investigation of Surface enhanced Raman scattering (SERS properties. For the TiO2/Ag bilayer, when the Ag thickness increased, SERS intensity decreased. Meanwhile, a significant enhancement was observed when the sublayer Ag was 10 nm compared to the pure Ag monolayer, which was ascribed to the metal-semiconductor synergistic effect that electromagnetic mechanism (EM provided by roughness surface and charge-transfer (CT enhancement mechanism from TiO2-Ag composite components. In comparison to the TiO2/Ag bilayer, the co-sputtered TiO2-Ag monolayer decreased the aggregation of Ag particles and led to the formation of small Ag particles, which showed that TiO2 could effectively inhibit the aggregation and growth of Ag nanoparticles.

  9. Electrochemical synthesis of bilayer coatings of poly(N-methylaniline) and polypyrrole on mild steel and their corrosion protection performances

    Energy Technology Data Exchange (ETDEWEB)

    Zeybek, Buelent [Ankara University, Faculty of Science, Department of Chemistry, Ankara (Turkey); Dumlupinar University, Faculty of Arts and Sciences, Department of Chemistry, Kuetahya (Turkey); Ozcicek Pekmez, Nuran, E-mail: npekmez@hacettepe.edu.t [Hacettepe University, Faculty of Science, Department of Chemistry, Ankara (Turkey); Kilic, Esma [Ankara University, Faculty of Science, Department of Chemistry, Ankara (Turkey)

    2011-10-30

    Highlights: > The bilayers of poly(N-methylaniline) and polypyrrole-dodecylsulfate were synthesized. > These films on mild steel were characterized by cyclic voltammetry, FTIR and FESEM. > DS dopant allows permeation to cations and decreases the ingress of chloride ions. > The PNMA/PPy-DS bilayer coating exhibited the best corrosion resistance in 0.5 M HCl. > The protective properties of polymers was developed by preparing their bilayer coatings. - Abstract: Homopolymer and bilayer coatings of poly(N-methylaniline) (PNMA) and polypyrrole-dodecylsulfate (PPy-DS) have been electropolymerized on a mild steel (MS) surface by the potentiodynamic method in aqueous oxalic acid solutions. In order to include dodecylsulfate ion as dopant in the polypyrrole, sodium dodecylsulfate was also added to the polymerization solution of pyrrole. Characterization of coatings was carried out by the cyclic voltammetry, Fourier transform infrared (FTIR) spectroscopy and field emission scanning electron microscopy (FESEM). Corrosion behavior of the polymer coated MS electrodes was investigated in highly aggressive 0.5 M HCl solution by the Tafel test and electrochemical impedance spectroscopy (EIS) techniques. Corrosion test revealed that among the protective coatings obtained, the PNMA/PPy-DS bilayer exhibited the best corrosion resistance at all immersion times.

  10. Threshold Multi Split-Row algorithm for decoding irregular LDPC codes

    Directory of Open Access Journals (Sweden)

    Chakir Aqil

    2017-12-01

    Full Text Available In this work, we propose a new threshold multi split-row algorithm in order to improve the multi split-row algorithm for LDPC irregular codes decoding. We give a complete description of our algorithm as well as its advantages for the LDPC codes. The simulation results over an additive white gaussian channel show that an improvement in code error performance between 0.4 dB and 0.6 dB compared to the multi split-row algorithm.

  11. Tailored sequential drug release from bilayered calcium sulfate composites

    International Nuclear Information System (INIS)

    Orellana, Bryan R.; Puleo, David A.

    2014-01-01

    The current standard for treating infected bony defects, such as those caused by periodontal disease, requires multiple time-consuming steps and often multiple procedures to fight the infection and recover lost tissue. Releasing an antibiotic followed by an osteogenic agent from a synthetic bone graft substitute could allow for a streamlined treatment, reducing the need for multiple surgeries and thereby shortening recovery time. Tailorable bilayered calcium sulfate (CS) bone graft substitutes were developed with the ability to sequentially release multiple therapeutic agents. Bilayered composite samples having a shell and core geometry were fabricated with varying amounts (1 or 10 wt.%) of metronidazole-loaded poly(lactic-co-glycolic acid) (PLGA) particles embedded in the shell and simvastatin directly loaded into either the shell, core, or both. Microcomputed tomography showed the overall layered geometry as well as the uniform distribution of PLGA within the shells. Dissolution studies demonstrated that the amount of PLGA particles (i.e., 1 vs. 10 wt.%) had a small but significant effect on the erosion rate (3% vs. 3.4%/d). Mechanical testing determined that introducing a layered geometry had a significant effect on the compressive strength, with an average reduction of 35%, but properties were comparable to those of mandibular trabecular bone. Sustained release of simvastatin directly loaded into CS demonstrated that changing the shell to core volume ratio dictates the duration of drug release from each layer. When loaded together in the shell or in separate layers, sequential release of metronidazole and simvastatin was achieved. By introducing a tunable, layered geometry capable of releasing multiple drugs, CS-based bone graft substitutes could be tailored in order to help streamline the multiple steps needed to regenerate tissue in infected defects. - Highlights: • Bilayered CS composites were fabricated as potential bone graft substitutes. • The shell

  12. Tailored sequential drug release from bilayered calcium sulfate composites

    Energy Technology Data Exchange (ETDEWEB)

    Orellana, Bryan R.; Puleo, David A., E-mail: puleo@uky.edu

    2014-10-01

    The current standard for treating infected bony defects, such as those caused by periodontal disease, requires multiple time-consuming steps and often multiple procedures to fight the infection and recover lost tissue. Releasing an antibiotic followed by an osteogenic agent from a synthetic bone graft substitute could allow for a streamlined treatment, reducing the need for multiple surgeries and thereby shortening recovery time. Tailorable bilayered calcium sulfate (CS) bone graft substitutes were developed with the ability to sequentially release multiple therapeutic agents. Bilayered composite samples having a shell and core geometry were fabricated with varying amounts (1 or 10 wt.%) of metronidazole-loaded poly(lactic-co-glycolic acid) (PLGA) particles embedded in the shell and simvastatin directly loaded into either the shell, core, or both. Microcomputed tomography showed the overall layered geometry as well as the uniform distribution of PLGA within the shells. Dissolution studies demonstrated that the amount of PLGA particles (i.e., 1 vs. 10 wt.%) had a small but significant effect on the erosion rate (3% vs. 3.4%/d). Mechanical testing determined that introducing a layered geometry had a significant effect on the compressive strength, with an average reduction of 35%, but properties were comparable to those of mandibular trabecular bone. Sustained release of simvastatin directly loaded into CS demonstrated that changing the shell to core volume ratio dictates the duration of drug release from each layer. When loaded together in the shell or in separate layers, sequential release of metronidazole and simvastatin was achieved. By introducing a tunable, layered geometry capable of releasing multiple drugs, CS-based bone graft substitutes could be tailored in order to help streamline the multiple steps needed to regenerate tissue in infected defects. - Highlights: • Bilayered CS composites were fabricated as potential bone graft substitutes. • The shell

  13. Modelling of magneto-acoustic resonance in ferrite-piezoelectric bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Bichurin, M I; Petrov, V M; Averkin, S V; Filippov, A V [Institute for Electronic Information Systems, Novgorod State University, Veliky Novgorod 173003 (Russian Federation); Liverts, E [Department of Physics, Ben-Gurion University of the Negev, Beersheva 84105 (Israel); Mandal, S; Srinivasan, G [Physics Department, Oakland University, Rochester, MI 48309 (United States)

    2009-11-07

    A model is discussed for magnetoelectric (ME) effects in a single-crystal ferrite-piezoelectric bilayer on a substrate. The specific focus is on coupling at magneto-acoustic resonance (MAR) at the coincidence of ferromagnetic resonance in the ferrite and thickness modes of the electromechanical resonance in the piezoelectric. The clamping effect of the substrate has been considered in determining the ME voltage coefficient and applied to a model system of a bilayer of lead zirconate titanate (PZT) and yttrium iron garnet (YIG) on a gadolinium gallium garnet substrate. The theory predicts a giant ME effect at MAR due to interaction and transfer of energy between elastic modes and the uniform precession spin-wave mode. It is shown that the ME coupling strength decreases with increasing substrate thickness. Estimates for YIG-PZT for nominal film parameters predict MAR at 5 GHz and ME coefficients on the order of 5-70 V cm{sup -1} Oe{sup -1}. The phenomenon is of importance for the realization of multifunctional ME sensors and transducers operating at microwave frequencies.

  14. Strain, stabilities and electronic properties of hexagonal BN bilayers

    Science.gov (United States)

    Fujimoto, Yoshitaka; Saito, Susumu

    Hexagonal boron nitride (h-BN) atomic layers have been regarded as fascinating materials both scientifically and technologically due to the sizable band gap. This sizable band-gap nature of the h-BN atomic layers would provide not only new physical properties but also novel nano- and/or opto-electronics applications. Here, we study the first-principles density-functional study that clarifies the biaxial strain effects on the energetics and the electronic properties of h-BN bilayers. We show that the band gaps of the h-BN bilayers are tunable by applying strains. Furthermore, we show that the biaxial strains can produce a transition from indirect to direct band gaps of the h-BN bilayer. We also discuss that both AA and AB stacking patterns of h-BN bilayer become feasible structures because h-BN bilayers possess two different directions in the stacking patterns. Supported by MEXT Elements Strategy Initiative to Form Core Research Center through Tokodai Institute for Element Strategy, JSPS KAKENHI Grant Numbers JP26390062 and JP25107005.

  15. Ions irradiation on bi-layer coatings

    Science.gov (United States)

    Tessarolo, Enrico; Corso, Alain Jody; Böttger, Roman; Martucci, Alessandro; Pelizzo, Maria G.

    2017-09-01

    Future space missions will operate in very harsh and extreme environments. Optical and electronics components need to be optimized and qualified in view of such operational challenges. This work focuses on the effect of low alpha particles irradiation on coatings. Low energy He+ (4 keV and 16 keV) ions have been considered in order to simulate in laboratory the irradiation of solar wind (slow and fast components) alpha particles. Mono- and proper bi-layers coatings have been investigated. The experimental tests have been carried out changing doses as well as fluxes during the irradiation sessions. Optical characterization in the UV-VIS spectral range and superficial morphological analysis have performed prior and after irradiation.

  16. Theoretical Study of the Charge-Transfer State Separation within Marcus Theory: The C60-Anthracene Case Study.

    Science.gov (United States)

    Volpi, Riccardo; Nassau, Racine; Nørby, Morten Steen; Linares, Mathieu

    2016-09-21

    We study, within Marcus theory, the possibility of the charge-transfer (CT) state splitting at organic interfaces and a subsequent transport of the free charge carriers to the electrodes. As a case study we analyze model anthracene-C60 interfaces. Kinetic Monte Carlo (KMC) simulations on the cold CT state were performed at a range of applied electric fields, and with the fields applied at a range of angles to the interface to simulate the action of the electric field in a bulk heterojunction (BHJ) interface. The results show that the inclusion of polarization in our model increases CT state dissociation and charge collection. The effect of the electric field on CT state splitting and free charge carrier conduction is analyzed in detail with and without polarization. Also, depending on the relative orientation of the anthracene and C60 molecules at the interface, CT state splitting shows different behavior with respect to both applied field strength and applied field angle. The importance of the hot CT in helping the charge carrier dissociation is also analyzed in our scheme.

  17. QED corrections to the Altarelli-Parisi splitting functions

    Energy Technology Data Exchange (ETDEWEB)

    Florian, Daniel de [Universidad de Buenos Aires, Departamento de Fisica and IFIBA, FCEyN, Capital Federal (Argentina); UNSAM, International Center for Advanced Studies (ICAS), Buenos Aires (Argentina); Sborlini, German F.R.; Rodrigo, German [Universitat de Valencia - Consejo Superior de Investigaciones Cientificas, Instituto de Fisica Corpuscular, Paterna, Valencia (Spain)

    2016-05-15

    We discuss the combined effect of QED and QCD corrections to the evolution of parton distributions. We extend the available knowledge of the Altarelli-Parisi splitting functions to one order higher in QED, and we provide explicit expressions for the splitting kernels up to O(α α{sub S}). The results presented in this article allow one to perform a parton distribution function analysis reaching full NLO QCD-QED combined precision. (orig.)

  18. NMR study of the interactions of polymyxin B, gramicidin S, and valinomycin with dimyristoyllecithin bilayers

    International Nuclear Information System (INIS)

    Zidovetzki, R.; Banerjee, U.; Harrington, D.W.; Chan, S.I.

    1988-01-01

    The interactions of three polypeptide antibiotics (polymyxin B, gramicidin S, and valinomycin) with artificial lecithin membranes were studied by nuclear magnetic resonance (NMR). Combination of 31 P and 2 H NMR allowed observation of perturbations of the bilayer membrane structure induced by each of the antibiotics in the regions of the polar headgroups and acyl side chains of the phospholipids. The comparative study of the effects of these membrane-active antibiotics and the lipid bilayer structure demonstrated distinct types of antibiotic-membrane interactions in each case. Thus, the results showed the absence of interaction of polymyxin B with the dimyristoyllecithin membranes. In contrast, gramicidin S exhibited strong interaction with the lipid above the gel to liquid-crystalline phase transition temperature: disordering of the acyl side chains was evident. Increasing the concentration of gramicidin S led to disintegration of the bilayer membrane structure. At a molar ratio of 1:16 of gramicidin S to lecithin, the results are consistent with coexistence of gel and liquid-crystalline phases of the phospholipids near the phase transition temperature. Valinomycin decreased the phase transition temperature of the lipids and increased the order parameters of the lipid side chains. Such behavior is consistent with penetration of the valinomycin molecule into the interior of the lipid bilayers

  19. Integrated motor drive and non-isolated battery charger based on the split-phase PM motors for plug-in vehicles

    Directory of Open Access Journals (Sweden)

    Saeid Haghbin

    2014-06-01

    Full Text Available A novel integrated motor drive and non-isolated battery charger based on a split-phase permanent magnet (PM motor is presented and described for a plug-in vehicle. The motor windings are reconfigured by a relay for the traction and charging operation. In traction mode, the motor is like a normal three-phase motor, whereas in the charging mode, after windings reconnection, the system is a three-phase Boost rectifier. One important challenge to use the motor as three inductors in charger circuit is to have it in standstill during the battery charging. Based on the presented mathematical model of a split-phase PM motor, the zero-torque condition of the motor is explained which led to a proper windings reconnection for the charging. Simulation and experimental results of two separate practical systems are provided to verify the proposed integrated battery charger. Some practical limitations and design recommendations are provided to achieve a more realistic practical system.

  20. Solid-state dewetting of Au-Ni bi-layer films mediated through individual layer thickness and stacking sequence

    Science.gov (United States)

    Herz, Andreas; Theska, Felix; Rossberg, Diana; Kups, Thomas; Wang, Dong; Schaaf, Peter

    2018-06-01

    In the present work, the solid-state dewetting of Au-Ni bi-layer thin films deposited on SiO2/Si is systematically studied with respect to individual layer thickness and stacking sequence. For this purpose, a rapid heat treatment at medium temperatures is applied in order to examine void formation at the early stages of the dewetting. Compositional variations are realized by changing the thickness ratio of the bi-layer films, while the total thickness is maintained at 20 nm throughout the study. In the event of Au/Ni films annealed at 500 °C, crystal voids exposing the substrate are missing regardless of chemical composition. In reverse order, the number of voids per unit area in two-phase Au-Ni thin films is found to be governed by the amount of Au-rich material. At higher temperatures up to 650 °C, a decreased probability of nucleation comes at the expense of a major portion of cavities, resulting in the formation of bubbles in 15 nm Ni/5 nm Au bi-layers. Film buckling predominantly occurred at phase boundaries crossing the bubbles.

  1. Exact Jacobians of Roe-type flux difference splitting of the equations of radiation hydrodynamics (and Euler equations) for use in time-implicit higher-order Godunov schemes

    International Nuclear Information System (INIS)

    Balsara, D.S.

    1999-01-01

    In this paper we analyze some of the numerical issues that are involved in making time-implicit higher-order Godunov schemes for the equations of radiation hydrodynamics (and the Euler or Navier-Stokes equations). This is done primarily with the intent of incorporating such methods in the author's RIEMANN code. After examining the issues it is shown that the construction of a time-implicit higher-order Godunov scheme for radiation hydrodynamics would be benefited by our ability to evaluate exact Jacobians of the numerical flux that is based on Roe-type flux difference splitting. In this paper we show that this can be done analytically in a form that is suitable for efficient computational implementation. It is also shown that when multiple fluid species are used or when multiple radiation frequencies are used the computational cost in the evaluation of the exact Jacobians scales linearly with the number of fluid species or the number of radiation frequencies. Connections are made to other types of numerical fluxes, especially those based on flux difference splittings. It is shown that the evaluation of the exact Jacobian for such numerical fluxes is also benefited by the present strategy and the results given here. It is, however, pointed out that time-implicit schemes that are based on the evaluation of the exact Jacobians for flux difference splittings using the methods developed here are both computationally more efficient and numerically more stable than corresponding time-implicit schemes that are based on the evaluation of the exact or approximate Jacobians for flux vector splittings. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  2. Electronic properties of a biased graphene bilayer

    International Nuclear Information System (INIS)

    Castro, Eduardo V; Lopes dos Santos, J M B; Novoselov, K S; Morozov, S V; Geim, A K; Peres, N M R; Nilsson, Johan; Castro Neto, A H; Guinea, F

    2010-01-01

    We study, within the tight-binding approximation, the electronic properties of a graphene bilayer in the presence of an external electric field applied perpendicular to the system-a biased bilayer. The effect of the perpendicular electric field is included through a parallel plate capacitor model, with screening correction at the Hartree level. The full tight-binding description is compared with its four-band and two-band continuum approximations, and the four-band model is shown to always be a suitable approximation for the conditions realized in experiments. The model is applied to real biased bilayer devices, made out of either SiC or exfoliated graphene, and good agreement with experimental results is found, indicating that the model is capturing the key ingredients, and that a finite gap is effectively being controlled externally. Analysis of experimental results regarding the electrical noise and cyclotron resonance further suggests that the model can be seen as a good starting point for understanding the electronic properties of graphene bilayer. Also, we study the effect of electron-hole asymmetry terms, such as the second-nearest-neighbour hopping energies t' (in-plane) and γ 4 (inter-layer), and the on-site energy Δ.

  3. Hybrid matrix method for stable numerical analysis of the propagation of Dirac electrons in gapless bilayer graphene superlattices

    Science.gov (United States)

    Briones-Torres, J. A.; Pernas-Salomón, R.; Pérez-Álvarez, R.; Rodríguez-Vargas, I.

    2016-05-01

    Gapless bilayer graphene (GBG), like monolayer graphene, is a material system with unique properties, such as anti-Klein tunneling and intrinsic Fano resonances. These properties rely on the gapless parabolic dispersion relation and the chiral nature of bilayer graphene electrons. In addition, propagating and evanescent electron states coexist inherently in this material, giving rise to these exotic properties. In this sense, bilayer graphene is unique, since in most material systems in which Fano resonance phenomena are manifested an external source that provides extended states is required. However, from a numerical standpoint, the presence of evanescent-divergent states in the eigenfunctions linear superposition representing the Dirac spinors, leads to a numerical degradation (the so called Ωd problem) in the practical applications of the standard Coefficient Transfer Matrix (K) method used to study charge transport properties in Bilayer Graphene based multi-barrier systems. We present here a straightforward procedure based in the hybrid compliance-stiffness matrix method (H) that can overcome this numerical degradation. Our results show that in contrast to standard matrix method, the proposed H method is suitable to study the transmission and transport properties of electrons in GBG superlattice since it remains numerically stable regardless the size of the superlattice and the range of values taken by the input parameters: the energy and angle of the incident electrons, the barrier height and the thickness and number of barriers. We show that the matrix determinant can be used as a test of the numerical accuracy in real calculations.

  4. Charge ordering and opening of spin gap in NaV2O5

    NARCIS (Netherlands)

    Mostovoy, M.V.; Khomskii, D.I.

    1999-01-01

    We argue that the origin of the phase transition in quasi-one-dimensional antiferromagnet NaV2O5 is not the spin-Peierls (SP) instability, but a charge ordering. The opening of the spin gap and the lattice dimerization, characteristic for the spin-Peierls systems, in NaV2O5 result from the interplay

  5. Multinuclear NMR studies of single lipid bilayers supported in cylindrical aluminum oxide nanopores.

    Science.gov (United States)

    Gaede, Holly C; Luckett, Keith M; Polozov, Ivan V; Gawrisch, Klaus

    2004-08-31

    Lipid bilayers were deposited inside the 0.2 microm pores of anodic aluminum oxide (AAO) filters by extrusion of multilamellar liposomes and their properties studied by 2H, 31P, and 1H solid-state NMR. Only the first bilayer adhered strongly to the inner surface of the pores. Additional layers were washed out easily by a flow of water as demonstrated by 1H magic angle spinning NMR experiments with addition of Pr3+ ions to shift accessible lipid headgroup resonances. A 13 mm diameter Anopore filter of 60 microm thickness oriented approximately 2.5 x 10(-7) mol of lipid as a single bilayer, corresponding to a total membrane area of about 500 cm2. The 2H NMR spectra of chain deuterated POPC are consistent with adsorption of wavy, tubular bilayers to the inner pore surface. By NMR diffusion experiments, we determined the average length of those lipid tubules to be approximately 0.4 microm. There is evidence for a thick water layer between lipid tubules and the pore surface. The ends of tubules are well sealed against the pore such that Pr3+ ions cannot penetrate into the water underneath the bilayers. We successfully trapped poly(ethylene glycol) (PEG) with a molecular weight of 8000 in this water layer. From the quantity of trapped PEG, we calculated an average water layer thickness of 3 nm. Lipid order parameters and motional properties are unperturbed by the solid support, in agreement with existence of a water layer. Such unperturbed, solid supported membranes are ideal for incorporation of membrane-spanning proteins with large intra- and extracellular domains. The experiments suggest the promise of such porous filters as membrane support in biosensors.

  6. Forced splitting of fractions in CE

    NARCIS (Netherlands)

    Zalewski, D.R.; Schlautmann, Stefan; Gardeniers, Johannes G.E.

    2008-01-01

    In order to increase the electrophoretic separation between fractions of analytes on a microfluidic chip, without the need for a longer separation channel, we propose and demonstrate a preparative electrokinetic procedure by which overlapping or closely spaced fractions are automatically split. The

  7. Frequency effects on charge ordering in Y0.5Ca0.5MnO3 by impedance spectroscopy

    Science.gov (United States)

    Sarwar, Tuba; Qamar, Afzaal; Nadeem, Muhammad

    2015-02-01

    In this work, structural and electrical properties of Y0.5Ca0.5MnO3 are investigated by employing X-ray diffraction and impedance spectroscopy, respectively. Applied ac electric field showed the charge ordering transition temperature around 265 K and below this temperature the heteromorphic behavior of the sample is discussed in the proximity of TCO. With frequency effects the volume of robust charge orbital ordering (COO) domains diminishes due to different competing phases along with Jahn Teller distortions. Comprehensive melting and collapse of charge orbital ordering occurs below TN(125 K), where a colossal drop in the value of impedance is observed. The change in profile of modulus plane plots determines the spreading of relaxation time of intermingled phases. Hopping mechanism is elaborated in terms of strong electron phonon coupling. Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn3+ and Mn4+ channels assessing the activation energy Ea.

  8. Intercalation of small hydrophobic molecules in lipid bilayers containing cholesterol

    Energy Technology Data Exchange (ETDEWEB)

    Worcester, D.L.; Hamacher, K.; Kaiser, H.; Kulasekere, R.; Torbet, J. [Univ. of Missouri, Columbia, MO (United States)

    1994-12-31

    Partitioning of small hydrophobic molecules into lipid bilayers containing cholesterol has been studied using the 2XC diffractometer at the University of Missouri Research Reactor. Locations of the compounds were determined by Fourier difference methods with data from both deuterated and undeuterated compounds introduced into the bilayers from the vapor phase. Data fitting procedures were developed for determining how well the compounds were localized. The compounds were found to be localized in a narrow region at the center of the hydrophobic layer, between the two halves of the bilayer. The structures are therefore intercalated structures with the long axis of the molecules in the plane of the bilayer.

  9. Intercalation of small hydrophobic molecules in lipid bilayers containing cholesterol

    International Nuclear Information System (INIS)

    Worcester, D.L.; Hamacher, K.; Kaiser, H.; Kulasekere, R.; Torbet, J.

    1994-01-01

    Partitioning of small hydrophobic molecules into lipid bilayers containing cholesterol has been studied using the 2XC diffractometer at the University of Missouri Research Reactor. Locations of the compounds were determined by Fourier difference methods with data from both deuterated and undeuterated compounds introduced into the bilayers from the vapor phase. Data fitting procedures were developed for determining how well the compounds were localized. The compounds were found to be localized in a narrow region at the center of the hydrophobic layer, between the two halves of the bilayer. The structures are therefore intercalated structures with the long axis of the molecules in the plane of the bilayer

  10. Design study of a 25.5-MHz split coaxial RFQ

    International Nuclear Information System (INIS)

    Arai, Shigeaki; Imanishi, Akira; Morimoto, Teruhisa; Shibuya, Shinji; Tojyo, Eiki; Tokuda, Noboru.

    1989-08-01

    A 25.5-MHz split coaxial RFQ with modulated vanes is now being fabricated. The RFQ, 2.1 m in length and 0.9 m in diameter, will accelerate ions with a charge-to-mass ratio greater than 1/30 from 1 keV/n up to 45.4 keV/n. The design works on beam dynamics and cavity fabrication are reported. (author)

  11. Semimetallic and charge-ordered α -(BEDT-TTF)2I3: On the role of disorder in dc transport and dielectric properties

    Science.gov (United States)

    Ivek, Tomislav; Čulo, Matija; Kuveždić, Marko; Tutiš, Eduard; Basletić, Mario; Mihaljević, Branimir; Tafra, Emil; Tomić, Silvia; Löhle, Anja; Dressel, Martin; Schweitzer, Dieter; Korin-Hamzić, Bojana

    2017-08-01

    α -(BEDT-TTF)2I3 is a prominent example of charge ordering among organic conductors. In this work, we explore the details of transport within the charge-ordered as well as semimetallic phase at ambient pressure. In the high-temperature semimetallic phase, the mobilities and concentrations of both electrons and holes conspire in such a way to create an almost temperature-independent conductivity as well as a low Hall effect. We explain these phenomena as a consequence of a predominantly interpocket scattering which equalizes mobilities of the two types of charge carriers. At low temperatures, within the insulating charge-ordered phase two channels of conduction can be discerned: a temperature-dependent activation, which follows the mean-field behavior, and a nearest-neighbor-hopping contribution. Together with negative magnetoresistance, the latter relies on the presence of disorder. The charge-ordered phase also features a prominent dielectric peak which bears a similarity to relaxor ferroelectrics. Its dispersion is determined by free-electron screening and pushed by disorder well below the transition temperature. The source of this disorder can be found in the anion layers which randomly perturb BEDT-TTF molecules through hydrogen bonds.

  12. Ionic motion in PEDOT and PPy conducting polymer bilayers

    DEFF Research Database (Denmark)

    Zainudeen, Umer L.; Careem, M.A.; Skaarup, Steen

    2006-01-01

    Conducting polymer bilayers with poly(3,4-ethylenedioxythiophene) (PEDOT) and polypyrrole (PPy), each containing dodecyl benzenesulfonate (DBS) as immobile dopant species, were synthesized galvanostatically. The electrochemical behaviour of the bilayers was investigated using cyclic voltammetry...

  13. Comparisons of Modeling and State of Charge Estimation for Lithium-Ion Battery Based on Fractional Order and Integral Order Methods

    Directory of Open Access Journals (Sweden)

    Renxin Xiao

    2016-03-01

    Full Text Available In order to properly manage lithium-ion batteries of electric vehicles (EVs, it is essential to build the battery model and estimate the state of charge (SOC. In this paper, the fractional order forms of Thevenin and partnership for a new generation of vehicles (PNGV models are built, of which the model parameters including the fractional orders and the corresponding resistance and capacitance values are simultaneously identified based on genetic algorithm (GA. The relationships between different model parameters and SOC are established and analyzed. The calculation precisions of the fractional order model (FOM and integral order model (IOM are validated and compared under hybrid test cycles. Finally, extended Kalman filter (EKF is employed to estimate the SOC based on different models. The results prove that the FOMs can simulate the output voltage more accurately and the fractional order EKF (FOEKF can estimate the SOC more precisely under dynamic conditions.

  14. A stable and high-order accurate discontinuous Galerkin based splitting method for the incompressible Navier-Stokes equations

    Science.gov (United States)

    Piatkowski, Marian; Müthing, Steffen; Bastian, Peter

    2018-03-01

    In this paper we consider discontinuous Galerkin (DG) methods for the incompressible Navier-Stokes equations in the framework of projection methods. In particular we employ symmetric interior penalty DG methods within the second-order rotational incremental pressure correction scheme. The major focus of the paper is threefold: i) We propose a modified upwind scheme based on the Vijayasundaram numerical flux that has favourable properties in the context of DG. ii) We present a novel postprocessing technique in the Helmholtz projection step based on H (div) reconstruction of the pressure correction that is computed locally, is a projection in the discrete setting and ensures that the projected velocity satisfies the discrete continuity equation exactly. As a consequence it also provides local mass conservation of the projected velocity. iii) Numerical results demonstrate the properties of the scheme for different polynomial degrees applied to two-dimensional problems with known solution as well as large-scale three-dimensional problems. In particular we address second-order convergence in time of the splitting scheme as well as its long-time stability.

  15. Biomimetic Cationic Nanoparticles Based on Silica: Optimizing Bilayer Deposition from Lipid Films

    Directory of Open Access Journals (Sweden)

    Rodrigo T. Ribeiro

    2017-10-01

    Full Text Available The optimization of bilayer coverage on particles is important for a variety of biomedical applications, such as drug, vaccine, and genetic material delivery. This work aims at optimizing the deposition of cationic bilayers on silica over a range of experimental conditions for the intervening medium and two different assemblies for the cationic lipid, namely, lipid films or pre-formed lipid bilayer fragments. The lipid adsorption on silica in situ over a range of added lipid concentrations was determined from elemental analysis of carbon, hydrogen, and nitrogen and related to the colloidal stability, sizing, zeta potential, and polydispersity of the silica/lipid nanoparticles. Superior bilayer deposition took place from lipid films, whereas adsorption from pre-formed bilayer fragments yielded limiting adsorption below the levels expected for bilayer adsorption.

  16. Third-order QCD corrections to the charged-current structure function F3

    International Nuclear Information System (INIS)

    Moch, S.; Vermaseren, J.A.M.; Vogt, A.

    2008-12-01

    We compute the coefficient function for the charge-averaged W ± -exchange structure function F 3 in deep-inelastic scattering (DIS) to the third order in massless perturbative QCD. Our new three-loop contribution to this quantity forms, at not too small values of the Bjorken variable x, the dominant part of the next-to-next-to-next-to-leading order corrections. It thus facilitates improved determinations of the strong coupling α s and of 1/Q 2 power corrections from scaling violations measured in neutrino-nucleon DIS. The expansion of F 3 in powers of α s is stable at all values of x relevant to measurements at high scales Q 2 . At small x the third-order coefficient function is dominated by diagrams with the colour structure d abc d abc not present at lower orders. At large x the coefficient function for F 3 is identical to that of F 1 up to terms vanishing for x→1. (orig.)

  17. Chirality-Assisted Electronic Cloaking of Confined States in Bilayer Graphene

    Science.gov (United States)

    Gu, Nan; Rudner, Mark; Levitov, Leonid

    2011-10-01

    We show that the strong coupling of pseudospin orientation and charge carrier motion in bilayer graphene has a drastic effect on transport properties of ballistic p-n-p junctions. Electronic states with zero momentum parallel to the barrier are confined under it for one pseudospin orientation, whereas states with the opposite pseudospin tunnel through the junction totally uninfluenced by the presence of confined states. We demonstrate that the junction acts as a cloak for confined states, making them nearly invisible to electrons in the outer regions over a range of incidence angles. This behavior is manifested in the two-terminal conductance as transmission resonances with non-Lorentzian, singular peak shapes. The response of these phenomena to a weak magnetic field or electric-field-induced interlayer gap can serve as an experimental fingerprint of electronic cloaking.

  18. Topological Quantum Phase Transitions in Two-Dimensional Hexagonal Lattice Bilayers

    Science.gov (United States)

    Zhai, Xuechao; Jin, Guojun

    2013-09-01

    Since the successful fabrication of graphene, two-dimensional hexagonal lattice structures have become a research hotspot in condensed matter physics. In this short review, we theoretically focus on discussing the possible realization of a topological insulator (TI) phase in systems of graphene bilayer (GBL) and boron nitride bilayer (BNBL), whose band structures can be experimentally modulated by an interlayer bias voltage. Under the bias, a band gap can be opened in AB-stacked GBL but is still closed in AA-stacked GBL and significantly reduced in AA- or AB-stacked BNBL. In the presence of spin-orbit couplings (SOCs), further demonstrations indicate whether the topological quantum phase transition can be realized strongly depends on the stacking orders and symmetries of structures. It is observed that a bulk band gap can be first closed and then reopened when the Rashba SOC increases for gated AB-stacked GBL or when the intrinsic SOC increases for gated AA-stacked BNBL. This gives a distinct signal for a topological quantum phase transition, which is further characterized by a jump of the ℤ2 topological invariant. At fixed SOCs, the TI phase can be well switched by the interlayer bias and the phase boundaries are precisely determined. For AA-stacked GBL and AB-stacked BNBL, no strong TI phase exists, regardless of the strength of the intrinsic or Rashba SOCs. At last, a brief overview is given on other two-dimensional hexagonal materials including silicene and molybdenum disulfide bilayers.

  19. Chitosan derivatives targeting lipid bilayers: Synthesis, biological activity and interaction with model membranes.

    Science.gov (United States)

    Martins, Danubia Batista; Nasário, Fábio Domingues; Silva-Gonçalves, Laiz Costa; de Oliveira Tiera, Vera Aparecida; Arcisio-Miranda, Manoel; Tiera, Marcio José; Dos Santos Cabrera, Marcia Perez

    2018-02-01

    The antimicrobial activity of chitosan and derivatives to human and plant pathogens represents a high-valued prospective market. Presently, two low molecular weight derivatives, endowed with hydrophobic and cationic character at different ratios were synthesized and characterized. They exhibit antimicrobial activity and increased performance in relation to the intermediate and starting compounds. However, just the derivative with higher cationic character showed cytotoxicity towards human cervical carcinoma cells. Considering cell membranes as targets, the mode of action was investigated through the interaction with model lipid vesicles mimicking bacterial, tumoral and erythrocyte membranes. Intense lytic activity and binding are demonstrated for both derivatives in anionic bilayers. The less charged compound exhibits slightly improved selectivity towards bacterial model membranes, suggesting that balancing its hydrophobic/hydrophilic character may improve efficiency. Observing the aggregation of vesicles, we hypothesize that the "charge cluster mechanism", ascribed to some antimicrobial peptides, could be applied to these chitosan derivatives. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. Effects of the charge-transfer reorganization energy on the open-circuit voltage in small-molecular bilayer organic photovoltaic devices: comparison of the influence of deposition rates of the donor.

    Science.gov (United States)

    Lee, Chih-Chien; Su, Wei-Cheng; Chang, Wen-Chang

    2016-05-14

    The theoretical maximum of open-circuit voltage (VOC) of organic photovoltaic (OPV) devices has yet to be determined, and its origin remains debated. Here, we demonstrate that VOC of small-molecule OPV devices can be improved by controlling the deposition rate of a donor without changing the interfacial energy gap at the donor/acceptor interface. The measurement of external quantum efficiency and electroluminescence spectra facilitates the observation of the existence of charge transfer (CT) states. A simplified approach by reusing the reciprocity relationship for obtaining the properties of the CT states is proposed without introducing complex techniques. We compare experimental and fitting results and propose that reorganization energy is the primary factor in determining VOC instead of either the CT energy or electronic coupling term in bilayer OPV devices. Atomic force microscopy images indicate a weak molecular aggregation when a higher deposition rate is used. The results of temperature-dependent measurements suggest the importance of molecular stacking for the CT properties.

  1. Multi-Stacked Supported Lipid Bilayer Micropatterning through Polymer Stencil Lift-Off

    Directory of Open Access Journals (Sweden)

    Yujie Zhu

    2015-08-01

    Full Text Available Complex multi-lamellar structures play a critical role in biological systems, where they are present as lamellar bodies, and as part of biological assemblies that control energy transduction processes. Multi-lamellar lipid layers not only provide interesting systems for fundamental research on membrane structure and bilayer-associated polypeptides, but can also serve as components in bioinspired materials or devices. Although the ability to pattern stacked lipid bilayers at the micron scale is of importance for these purposes, limited work has been done in developing such patterning techniques. Here, we present a simple and direct approach to pattern stacked supported lipid bilayers (SLBs using polymer stencil lift-off and the electrostatic interactions between cationic and anionic lipids. Both homogeneous and phase-segregated stacked SLB patterns were produced, demonstrating that the stacked lipid bilayers retain lateral diffusivity. We demonstrate patterned SLB stacks of up to four bilayers, where fluorescence resonance energy transfer (FRET and quenching was used to probe the interactions between lipid bilayers. Furthermore, the study of lipid phase behaviour showed that gel phase domains align between adjacent layers. The proposed stacked SLB pattern platform provides a robust model for studying lipid behaviour with a controlled number of bilayers, and an attractive means towards building functional bioinspired materials or devices.

  2. Interactions of the local anesthetic tetracaine with membranes containing phosphatidylcholine and cholesterol: a 2H NMR study

    International Nuclear Information System (INIS)

    Auger, M.; Jarrell, H.C.; Smith, I.C.P.

    1988-01-01

    The interactions of local anesthetic tetracaine with multilamellar dispersions of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) and cholesterol have been investigated by deuterium nuclear magnetic resonance of specifically deuteriated tetracaines, DMPC and cholesterol. Experiments were performed at pH 5.5, when the anesthetic is primarily charged, and at pH 9.5, when it is primarily uncharged. The partition coefficients of the anesthetic in the membrane have been measured at both pH values for phosphatidylcholine bilayers with and without cholesterol. The higher partition coefficients obtained at pH 9.5 reflect the hydrophobic interactions between the uncharged form of the anesthetic and the hydrocarbon region of the bilayer. The lower partition coefficients for the DMPC/cholesterol system at both pH values suggest that cholesterol, which increases the order of the lipid chains, decreases the solubility of tetracaine into the bilayer. For phosphatidylcholine bilayers, it has been proposed that the charged tetracaine at low pH is located mostly at the phospholipid headgroup level while the uncharged tetracaine intercalates more deeply into the bilayer. The present study suggests that the location of tetracaine in the cholesterol-containing system is different from that in pure phosphatidylcholine bilayers: the anesthetic sits higher in the membrane. An increase in temperature results in a deeper penetration of the anesthetic into the bilayer. Moreover, the incorporation of the anesthetic into DMPC bilayers with or without cholesterol results in a reduction of the lipid order parameters both in the plateau and in the tail regions of the acyl chains, this effect being greater with the charged form of the anesthetic

  3. Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding

    Science.gov (United States)

    Zhang, Xiaoliang; Gao, Yufei; Chen, Yuli; Hu, Ming

    2016-01-01

    Graphene and its bilayer structure are the two-dimensional crystalline form of carbon, whose extraordinary electron mobility and other unique features hold great promise for nanoscale electronics and photonics. Their realistic applications in emerging nanoelectronics usually call for thermal transport manipulation in a controllable and precise manner. In this paper we systematically studied the effect of interlayer covalent bonding, in particular different interlay bonding arrangement, on the thermal conductivity of bilayer graphene using equilibrium molecular dynamics simulations. It is revealed that, the thermal conductivity of randomly bonded bilayer graphene decreases monotonically with the increase of interlayer bonding density, however, for the regularly bonded bilayer graphene structure the thermal conductivity possesses unexpectedly non-monotonic dependence on the interlayer bonding density. The results suggest that the thermal conductivity of bilayer graphene depends not only on the interlayer bonding density, but also on the detailed topological configuration of the interlayer bonding. The underlying mechanism for this abnormal phenomenon is identified by means of phonon spectral energy density, participation ratio and mode weight factor analysis. The large tunability of thermal conductivity of bilayer graphene through rational interlayer bonding arrangement paves the way to achieve other desired properties for potential nanoelectronics applications involving graphene layers. PMID:26911859

  4. Non-destructive splitter of twisted light based on modes splitting in a ring cavity.

    Science.gov (United States)

    Li, Yan; Zhou, Zhi-Yuan; Ding, Dong-Sheng; Zhang, Wei; Shi, Shuai; Shi, Bao-Sen; Guo, Guang-Can

    2016-02-08

    Efficiently discriminating beams carrying different orbital angular momentum (OAM) is of fundamental importance for various applications including high capacity optical communication and quantum information processing. We design and experimentally verify a distinguished method for effectively splitting different OAM-carried beams by introducing Dove prisms in a ring cavity. Because of rotational symmetry broken of two OAM-carried beams with opposite topological charges, their transmission spectra will split. When mode and impedance matches between the cavity and one OAM-carried beam are achieved, this beam will transmit through the cavity and other beam will be reflected, both beams keep their spatial shapes. In this case, the cavity acts like a polarized beam splitter. Besides, the transmitting beam can be selected at your will, the splitting efficiency can reach unity if the cavity is lossless and it completely matches the beam. Furthermore, beams carry multi-OAMs can also be split by cascading ring cavities.

  5. Split-illumination electron holography for improved evaluation of electrostatic potential associated with electrophotography

    Energy Technology Data Exchange (ETDEWEB)

    Tanigaki, Toshiaki, E-mail: tanigaki-toshiaki@riken.jp; Aizawa, Shinji; Soon Park, Hyun [Center for Emergent Matter Science (CEMS), RIKEN, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Sato, Kuniaki; Akase, Zentaro [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira 2-1-1, Sendai 980-8577 (Japan); Matsuda, Tsuyoshi [Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012 (Japan); Murakami, Yasukazu; Shindo, Daisuke [Center for Emergent Matter Science (CEMS), RIKEN, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira 2-1-1, Sendai 980-8577 (Japan); Kawase, Hiromitsu [Product Environment Technology Development Department, Environment and Energy Technology Development Center R and D Group, RICOH Co., Ltd., Shinei-cho, Tsuzuki-ku, Yokohama, Kanagawa 224-0035 (Japan)

    2014-03-31

    Precise evaluation of the electrostatic potential distributions of and around samples with multiple charges using electron holography has long been a problem due to unknown perturbation of the reference wave. Here, we report the first practical application of split-illumination electron holography (SIEH) to tackle this problem. This method enables the use of a non-perturbed reference wave distant from the sample. SIEH revealed the electrostatic potential distributions at interfaces of the charged particles used for development in electrophotography and should lead to dramatic improvements in electrophotography.

  6. Split-illumination electron holography for improved evaluation of electrostatic potential associated with electrophotography

    International Nuclear Information System (INIS)

    Tanigaki, Toshiaki; Aizawa, Shinji; Soon Park, Hyun; Sato, Kuniaki; Akase, Zentaro; Matsuda, Tsuyoshi; Murakami, Yasukazu; Shindo, Daisuke; Kawase, Hiromitsu

    2014-01-01

    Precise evaluation of the electrostatic potential distributions of and around samples with multiple charges using electron holography has long been a problem due to unknown perturbation of the reference wave. Here, we report the first practical application of split-illumination electron holography (SIEH) to tackle this problem. This method enables the use of a non-perturbed reference wave distant from the sample. SIEH revealed the electrostatic potential distributions at interfaces of the charged particles used for development in electrophotography and should lead to dramatic improvements in electrophotography

  7. Effective interactions between concentration fluctuations and charge transfer in chemically ordering liquid alloys

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1992-08-01

    The correlations between long-wavelength fluctuations of concentration in a liquid binary alloy are determined by a balance between an elastic strain free energy and an Ornstein-Zernike effective interaction. The latter is extracted from thermodynamic data in the case of the Li-Pb system, which is well known to chemically order with stoichiometric composition corresponding to Li 4 Pb. Strong attractive interactions between concentration fluctuations near the composition of chemical ordering originate from electronic charge transfer, which is estimated from the electron-ion partial structure factors as functions of composition in the liquid alloy. (author). 20 refs, 2 figs

  8. An electrochemical investigation on the dissolution of bilayered porous anodic alumina

    International Nuclear Information System (INIS)

    Liao, Jinfu; Ling, Zhiyuan; Li, Yi; Hu, Xing

    2015-01-01

    Highlights: • Pulse polarization was introduced to investigate the dissolution of PAA. • Electric field within the bilayers was estimated. • The formation of the barrier layer involves mainly solid-state processes. • The structure should be the determining factor in the dissolution of the bilayers. - Abstract: Anodic alumina attracts much research interest in many disciplines for its versatility. Meanwhile, some aspects regarding its growth are still not well-understood, such as the formation and properties of its bilayer structure. In this paper, along with capacitance measurement, pulse polarization is introduced to study the dissolution of bilayered porous anodic alumina (PAA). Combined with electron microscope observation, the electric field in the outer layer is estimated to be slightly higher than that in the inner layer. By comparing with (oxy-)hydroxide layers, the electric field distribution within barrier layer of PAA confirms that the bilayers are compact and are formed mainly by solid-state ionic migration. The changes of dissolution rates after annealing and application of electric pulses suggest that structure may be a determining factor for the dissolution behaviors of the bilayers.

  9. High-order study of the quantum critical behavior of a frustrated spin-1/2 antiferromagnet on a stacked honeycomb bilayer

    Science.gov (United States)

    Bishop, R. F.; Li, P. H. Y.

    2017-12-01

    We study a frustrated spin-1/2 J1-J2-J3-J1⊥ Heisenberg antiferromagnet on an A A -stacked bilayer honeycomb lattice. In each layer we consider nearest-neighbor (NN), next-nearest-neighbor, and next-next-nearest-neighbor antiferromagnetic (AFM) exchange couplings J1,J2 , and J3, respectively. The two layers are coupled with an AFM NN exchange coupling J1⊥≡δ J1 . The model is studied for arbitrary values of δ along the line J3=J2≡α J1 that includes the most highly frustrated point at α =1/2 , where the classical ground state is macroscopically degenerate. The coupled cluster method is used at high orders of approximation to calculate the magnetic order parameter and the triplet spin gap. We are thereby able to give an accurate description of the quantum phase diagram of the model in the α δ plane in the window 0 ≤α ≤1 ,0 ≤δ ≤1 . This includes two AFM phases with Néel and striped order, and an intermediate gapped paramagnetic phase that exhibits various forms of valence-bond crystalline order. We obtain accurate estimations of the two phase boundaries, δ =δci(α) , or equivalently, α =αc i(δ ) , with i =1 (Néel) and 2 (striped). The two boundaries exhibit an "avoided crossing" behavior with both curves being re-entrant. Thus, in this α δ window, Néel order exists only for values of δ in the range δc1 (α ) , with δc1 0 for αc 1(0 ) ≈0.49 (1 ) , and striped order similarly exists only for values of δ in the range δc2 (α ) , with δc2 αc2(0) ≈0.600 (5 ) and δc2 0 for αc 2(0 ) >α >α2<≈0.56 (1 ) .

  10. Chiral tunneling in a twisted graphene bilayer.

    Science.gov (United States)

    He, Wen-Yu; Chu, Zhao-Dong; He, Lin

    2013-08-09

    The perfect transmission in a graphene monolayer and the perfect reflection in a Bernal graphene bilayer for electrons incident in the normal direction of a potential barrier are viewed as two incarnations of the Klein paradox. Here we show a new and unique incarnation of the Klein paradox. Owing to the different chiralities of the quasiparticles involved, the chiral fermions in a twisted graphene bilayer show an adjustable probability of chiral tunneling for normal incidence: they can be changed from perfect tunneling to partial or perfect reflection, or vice versa, by controlling either the height of the barrier or the incident energy. As well as addressing basic physics about how the chiral fermions with different chiralities tunnel through a barrier, our results provide a facile route to tune the electronic properties of the twisted graphene bilayer.

  11. Isospin Mass Splittings and the $\\ms$ Corrections in the Semibosonized SU(3)-NJL-Model

    OpenAIRE

    Blotz, Andree; Goeke, K.; Praszalowicz, M.

    1994-01-01

    The mass splittings of hyperons including the isospin splittings are calculated with $O(\\ms^2)$ and $O(\\ms \\dm)$ accuracy respectively within the semibosonized SU(3)-NJL model. The pattern of the isospin splittings is not spoiled by the terms of the order $O(\\ms \\dm)$, and both splittings between the different isospin multiplets and within the same multiplet are well reproduced for acceptable values of $\\ms$ and $\\dm$.

  12. A numerical study on the charge transport in TPD/Alq3-based organic light emitting diodes.

    Science.gov (United States)

    Kim, K S; Hwang, Y W; Lee, H G; Won, T Y

    2014-08-01

    We report our simulation study on the charge transport characteristic of the multi-layer structure for organic light emitting diodes (OLEDs). We performed a numerical simulation on a multilayer structure comprising a hole transport layer (HTL), an emission layer (EML), and an electron transport layer (ETL) between both electrodes. The material of the HTL is TPD (N,N'-Bis (3-methylphenyl)-N,N'-bis(phenyl) benzidine), and the ETL includes Alq3 (Tris (8-hyroxyquinolinato) aluminium). Here, we investigated the parameters such as recombination rates which influence the efficiency of the charge transport between layers in bilayer OLEDs. We also analyzed a transient response during the turn on/off period and the carrier transport in accordance with the variation of the injection barrier and applied voltage. In addition, our numerical simulation revealed that the insertion of the EML affects the photonic characteristics in bilayer structure and also the efficiency due to the difference in the internal barrier height.

  13. N3S project of fluid mechanics. High order in time methods by operator splitting. Application to Navier-Stokes equations

    International Nuclear Information System (INIS)

    Boukir, K.

    1994-06-01

    This thesis deals with the extension to higher order in time of two splitting methods for the Navier-Stokes equations: the characteristics method and the projection one. The first consists in decoupling the convection operator from the Stokes one. The second decomposes this latter into a diffusion problem and a pressure-continuity one. Concerning the characteristics method, numerical and theoretical study is developed for the second order scheme together with a finite element spatial discretization. The case of a spectral spatial discretization is also treated and theoretical analysis are given respectively for second and third order schemes. For both spatial discretizations, we obtain good error estimates, unconditionally or under non stringent stability conditions, for both velocity and pressure. Numerical results illustrate the interest of the second order scheme comparing to the first order one. Extensions of the second order scheme to the K-epsilon turbulence model are proposed and tested, in the case of a finite element spatial discretization. Concerning the projection method, we define the order schemes. The theoretical study deals with stability and convergence of first and second order projection schemes, for the incompressible Navier-Stokes equations and with a finite element spatial discretization. The numerical study concerns mainly the second order scheme applied to the Navier-Stokes equations with varying density. (authors). 63 refs., figs

  14. Determining the pk(a) of N,N-dimethylsphingosine and the flip-flop rate of related compounds with deuterium nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Lau, Bienca

    1995-01-01

    Deuterium nuclear magnetic resonance ( 2 H-NMR) spectroscopy was applied to determine the pk(a) of the protein kinase C (PKC) inhibitor, N,N-dimethylsphingosine (DMS), when bound to 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayers. The quadrupolar splittings from deuterium labels at the α- and the β-positions of the POPC headgroup responded in a manner indicative of a positive surface charge density at pH 7.0. Conversely, at pH 10.0 DMS had virtually no influence on either quadrupolar splitting, an effect attributed to titration of the dimethylamino group of DMS to its neutral form. A DMS titration curve was obtained by quantifying the charge in the quadrupolar splittings as a function of pH. Simulation of this curve yielded a pk(a) of 8.8 of membrane-bound DMS. Using a similar approach, the dynamic process of flip-flop was examined in two DMS analogues. We discuss here the quantitative and the qualitative aspects as well as the limitations of this application. (author)

  15. Tungsten Trioxide/Zinc Tungstate Bilayers: Electrochromic Behaviors, Energy Storage and Electron Transfer

    International Nuclear Information System (INIS)

    Wei, Huige; Ding, Daowei; Yan, Xingru; Guo, Jiang; Shao, Lu; Chen, Haoran; Sun, Luyi; Colorado, Henry A.; Wei, Suying; Guo, Zhanhu

    2014-01-01

    Highlights: • Tungsten oxide and zinc tungstate bilayers have been prepared via a facile sol-gel method for integrated applications of electrochromic behaviors and energy storage;. • Electron transfer behaviors between the semiconductor bilayer films have been found dependent on the bilayer assembly sequence;. • Methylene blue (MB) has been employed for the first time as an indicator to study the electron transfer phenomenon in the bilayer films. - Abstract: Pair-sequentially spin-coated tungsten trioxide (WO 3 ) and zinc tungstate (ZnWO 4 ) bilayer films onto indium tin oxide (ITO) coated glass slides have been prepared via sol-gel methods followed by annealing. The bilayers (ZnWO 4 /WO 3 denoting the bilayer film with the inner layer of ZnWO 4 and the outer layer of WO 3 on the ITO while WO 3 /ZnWO 4 standing for the bilayer film with the inner layer of WO 3 and the outer layer of ZnWO 4 on the ITO) exhibit integrated functions of electrochromic and energy storage behaviors as indicated by the in situ spectroelectrochemistry and cyclic voltammetry (CV) results. Accordingly, blue color was observed for the bilayer films at -1 V in 0.5 M H 2 SO 4 solution. An areal capacitance of 140 and 230 μF/cm 2 was obtained for the ZnWO 4 /WO 3 , and WO 3 /ZnWO 4 film, respectively, at a scan rate of 0.05 V/s in the CV measurements. The CV results also unveiled the electron transfer behavior between the semiconductor films in the oxidation process, suggesting a sequence-dependent electrochemical response in the bilayer films. Meanwhile, methylene blue (MB) was used as an indicator to study the electron transfer phenomenon during the reduction process at negative potentials of -0.4 and -0.8 V, in 0.5 M Na 2 SO 4 . The results indicated that the electrons transfer across the bilayers was enhanced at more negative potentials

  16. WO3 nanoflakes decorated with CuO clusters for enhanced photoelectrochemical water splitting

    Directory of Open Access Journals (Sweden)

    Chongwu Wang

    2018-04-01

    Full Text Available The low quantum efficiency arising from poor charges t