WorldWideScience

Sample records for volume charge density

  1. Comparison of the Volume Charge Density of Nanofiltration Membranes Obtained from Retention and Conductivity Experiments

    DEFF Research Database (Denmark)

    Benavente, J.; Silva, V.; Pradanos, P.

    2010-01-01

    by impedance spectroscopy, and the electric potential drop during retention experiments has also been measured. These experimental data on conductivity and electric potential are analyzed, by using the thermodynamics of irreversible processes and the space charge model, to obtain the pore charge density...

  2. Ab initio full charge-density study of the atomic volume of α-phase Fr, Ra, Ac, Th, Pa, U, Np, and Pu

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J.; Skriver, Hans Lomholt

    1997-01-01

    We have used a full charge-density technique based on the linear muffin-tin orbitals method in first-principles calculations of the atomic volumes of the light actinides including Fr, Ra, and Ac in their low-temperature crystallographic phases. The good agreement between the theoretical and exper......We have used a full charge-density technique based on the linear muffin-tin orbitals method in first-principles calculations of the atomic volumes of the light actinides including Fr, Ra, and Ac in their low-temperature crystallographic phases. The good agreement between the theoretical...

  3. Charge densities and charge noise in mesoscopic conductors

    Indian Academy of Sciences (India)

    February 2002 physics pp. 241–257. Charge densities and charge noise in mesoscopic conductors ... the charge noise [6] based on the scattering approach. Similar to the discussion of linear ...... a novel resistance which determines the dissipative effects in charging and decharging a. 254. Pramana – J. Phys., Vol. 58, No.

  4. Experimental charge density from electron microscopic maps.

    Science.gov (United States)

    Wang, Jimin

    2017-08-01

    The charge density (CD) distribution of an atom is the difference per unit volume between the positive charge of its nucleus and the distribution of the negative charges carried by the electrons that are associated with it. The CDs of the atoms in macromolecules are responsible for their electrostatic potential (ESP) distributions, which can now be visualized using cryo-electron microscopy at high resolution. CD maps can be recovered from experimental ESP density maps using the negative Laplacian operation. CD maps are easier to interpret than ESP maps because they are less sensitive to long-range electrostatic effects. An ESP-to-CD conversion involves multiplication of amplitudes of structure factors as Fourier transforms of these maps in reciprocal space by 1/d2 , where d is the resolution of reflections. In principle, it should be possible to determine the charges carried by the individual atoms in macromolecules by comparing experimental CD maps with experimental ESP maps. © 2017 The Protein Society.

  5. Charge densities and charge noise in mesoscopic conductors

    Indian Academy of Sciences (India)

    We introduce a hierarchy of density of states to characterize the charge distribution in a mesoscopic conductor. At the bottom of this hierarchy are the partial density of states which represent the contribution to the local density of states if both the incident and the out-going scattering channel is prescribed. The partial density ...

  6. WSN-Based Space Charge Density Measurement System.

    Directory of Open Access Journals (Sweden)

    Dawei Deng

    Full Text Available It is generally acknowledged that high voltage direct current (HVDC transmission line endures the drawback of large area, because of which the utilization of cable for space charge density monitoring system is of inconvenience. Compared with the traditional communication network, wireless sensor network (WSN shows advantages in small volume, high flexibility and strong self-organization, thereby presenting great potential in solving the problem. Additionally, WSN is more suitable for the construction of distributed space charge density monitoring system as it has longer distance and higher mobility. A distributed wireless system is designed for collecting and monitoring the space charge density under HVDC transmission lines, which has been widely applied in both Chinese state grid HVDC test base and power transmission projects. Experimental results of the measuring system demonstrated its adaptability in the complex electromagnetic environment under the transmission lines and the ability in realizing accurate, flexible, and stable demands for the measurement of space charge density.

  7. WSN-Based Space Charge Density Measurement System.

    Science.gov (United States)

    Deng, Dawei; Yuan, Haiwen; Lv, Jianxun; Ju, Yong

    2017-01-01

    It is generally acknowledged that high voltage direct current (HVDC) transmission line endures the drawback of large area, because of which the utilization of cable for space charge density monitoring system is of inconvenience. Compared with the traditional communication network, wireless sensor network (WSN) shows advantages in small volume, high flexibility and strong self-organization, thereby presenting great potential in solving the problem. Additionally, WSN is more suitable for the construction of distributed space charge density monitoring system as it has longer distance and higher mobility. A distributed wireless system is designed for collecting and monitoring the space charge density under HVDC transmission lines, which has been widely applied in both Chinese state grid HVDC test base and power transmission projects. Experimental results of the measuring system demonstrated its adaptability in the complex electromagnetic environment under the transmission lines and the ability in realizing accurate, flexible, and stable demands for the measurement of space charge density.

  8. Quantum crystallographic charge density of urea

    Directory of Open Access Journals (Sweden)

    Michael E. Wall

    2016-07-01

    Full Text Available Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the data is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. The results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.

  9. DETERMINATION OF SURFACE CHARGE DENSITY OF α ...

    African Journals Online (AJOL)

    a

    ABSTRACT. The surface charge density (σo) of colloidal alpha alumina suspended in various 1:1 electrolytes was measured using acid-base titration. An autotitrator capable of dispensing accurately 25 ± 0.1 µL of titrant was used. The pH and temperature in the titration cell were monitored using single junction electrodes ...

  10. WSN-Based Space Charge Density Measurement System

    OpenAIRE

    Deng, Dawei; Yuan, Haiwen; Lv, Jianxun; Ju, Yong

    2017-01-01

    It is generally acknowledged that high voltage direct current (HVDC) transmission line endures the drawback of large area, because of which the utilization of cable for space charge density monitoring system is of inconvenience. Compared with the traditional communication network, wireless sensor network (WSN) shows advantages in small volume, high flexibility and strong self-organization, thereby presenting great potential in solving the problem. Additionally, WSN is more suitable for the co...

  11. Charge Density Quantification and Antimicrobial Efficacy

    Science.gov (United States)

    2008-08-01

    consist of a variety of linear and dendritic quaternary ammonium and phosphonium polymeric salts . Many of the polymers are covalently attached to a...charge density, antimicrobial, XPS, UV-VIS, quaternary ammonium salt 16. SECURITY CLASSIFICATION OF: 19a. NAME OF RESPONSIBLE PERSON Nicole Zander...XPS N/C ratios of method B controls and quaternary nitrogen samples. .......................9 Figure 6. Survey spectrum of quaternary ammonium salt

  12. Pressure, relaxation volume, and elastic interactions in charged simulation cells

    Science.gov (United States)

    Bruneval, Fabien; Varvenne, Céline; Crocombette, Jean-Paul; Clouet, Emmanuel

    2015-01-01

    The ab initio calculation of charged supercells within density-functional theory is a necessary step to access several important properties of matter. The relaxation volume of charged point defects or the partial molar volume of ions in solution are two such examples. However, the total energy and therefore the pressure of charged systems is not uniquely defined when periodic boundary conditions are employed. This problem is tightly related to the origin of the electrostatic potential in periodic systems. This effect can be easily observed by modifying the electrostatic convention or modifying the local ionic potential details. We propose an approach to uniquely define the pressures in charged supercells with the use of the absolute deformation potentials. Only with such a definition could the ab initio calculations provide meaningful values for the relaxation volumes and for the elastic interactions for charged defects in semiconductors or ions in solution. The proposed scheme allows one to calculate sensible data even when charge neutrality is not enforced, thus going beyond the classical force-field-based approaches.

  13. Charge density research: from inorganic and molecular materials to proteins

    OpenAIRE

    Lecomte, Claude; Aubert, Emmanuel; Legrand, Vincent; Porcher, Florence; Pillet, Sébastien; Guillot, Benoît; Jelsch, Christian

    2005-01-01

    International audience; This paper intends to present applications of experimental charge density research in physics, chemistry and biology. It describes briefly most methods for modelling the charge density and calculating and analyzing derived properties (electrostatic potential, topological properties). These methods are illustrated through examples ranging from material science and coordination chemistry to biocrystallography, like the estimation of electrostatic energy in a zeolite-like...

  14. Density functional theory calculations of charge transport properties ...

    Indian Academy of Sciences (India)

    ZIRAN CHEN

    2017-08-04

    Aug 4, 2017 ... Abstract. Charge transport rate is one of the key parameters determining the performance of organic electronic devices. In this paper, we used density functional theory (DFT) at the M06-2X/6−31+G(d) level to compute the charge transport rates of nine coronene topological structures. The results show that ...

  15. Geometric interpretation of density displacements and charge ...

    Indian Academy of Sciences (India)

    The ``geometric” interpretation of the electronic density displacements in the Hilbert space is given and the associated projection-operator partitioning of the hardness and softness operators (kernels) is developed. The eigenvectors |á 〉 = \\{| 〉 \\} of the hardness operator define the complete (identity) projector P ^ = |  ...

  16. Charge density analysis of two proton transfer complexes ...

    Indian Academy of Sciences (India)

    Wintec

    asparaginium ion and the picrate in the other complex. We have additionally performed theoretical calcu- lations at the density functional theory (DFT) level to understand the origin of enhancement of the dipole moments in the two systems. Keywords. X-ray diffraction; experimental charge density; hydrogen bonding; dipole ...

  17. Experimental Evidence for Static Charge Density Waves in Iron Oxypnictides

    KAUST Repository

    Martinelli, A.

    2017-02-01

    In this Letter we report high-resolution synchrotron x-ray powder diffraction and transmission electron microscope analysis of Mn-substituted LaFeAsO samples, demonstrating that a static incommensurate modulated structure develops across the low-temperature orthorhombic phase, whose modulation wave vector depends on the Mn content. The incommensurate structural distortion is likely originating from a charge-density-wave instability, a periodic modulation of the density of conduction electrons associated with a modulation of the atomic positions. Our results add a new component in the physics of Fe-based superconductors, indicating that the density wave ordering is charge driven.

  18. Do plasma proteins distinguish between liposomes of varying charge density?

    KAUST Repository

    Capriotti, Anna Laura

    2012-03-01

    Cationic liposomes (CLs) are one of the most employed nonviral nanovector systems in gene therapy. However, their transfection efficiency is strongly affected by interactions with plasma components, that lead to the formation of a "protein corona" onto CL surface. The interactions between nanoparticles entering the body and biomolecules have an essential role for their biodistribution. Because the knowledge of proteins adsorbed onto vector surface could be useful in the screening of new, more efficient and more biocompatible liposomal formulations, the behavior of three CLs with different membrane charge densities was investigated. The proteins of the three coronas were identified by nano-liquid chromatography-tandem mass spectrometry, and quantified with label-free spectral counting strategy. Fibrinogen displayed higher association with CLs with high membrane charge density, while apolipoproteins and C4b-binding protein with CLs with low membrane charge density. These results are discussed in terms of the different lipid compositions of CLs and may have a deep biological impact for in vivo applications. Surface charge of nanoparticles is emerging as a relevant factor determining the corona composition after interaction with plasma proteins. Remarkably, it is also shown that the charge of the protein corona formed around CLs is strongly related to their membrane charge density. © 2012 Elsevier B.V.

  19. Interchain interaction and fractionally charged solitons in a commensurate charge-density-wave system

    DEFF Research Database (Denmark)

    Jensen, Mogens Høgh; Lomdahl, P. S.

    1982-01-01

    We have studied the effect of interchain interaction on thermally excited solitons in a charge-density wave for a Peierls system of commensurability 3. In such a system solitons with charges ±2e / 3 are expected. It is shown that the interchain coupling in some cases will generate solitons with l...

  20. Contributions of charge-density research to medicinal chemistry

    Directory of Open Access Journals (Sweden)

    Birger Dittrich

    2014-11-01

    Full Text Available This article reviews efforts in accurate experimental charge-density studies with relevance to medicinal chemistry. Initially, classical charge-density studies that measure electron density distribution via least-squares refinement of aspherical-atom population parameters are summarized. Next, interaction density is discussed as an idealized situation resembling drug–receptor interactions. Scattering-factor databases play an increasing role in charge-density research, and they can be applied both to small-molecule and macromolecular structures in refinement and analysis; software development facilitates their use. Therefore combining both of these complementary branches of X-ray crystallography is recommended, and examples are given where such a combination already proved useful. On the side of the experiment, new pixel detectors are allowing rapid measurements, thereby enabling both high-throughput small-molecule studies and macromolecular structure determination to higher resolutions. Currently, the most ambitious studies compute intermolecular interaction energies of drug–receptor complexes, and it is recommended that future studies benefit from recent method developments. Selected new developments in theoretical charge-density studies are discussed with emphasis on its symbiotic relation to crystallography.

  1. Charge Density Waves in Graphite: Towards the Magnetic Ultraquantum Limit

    Science.gov (United States)

    Arnold, F.; Isidori, A.; Kampert, E.; Yager, B.; Eschrig, M.; Saunders, J.

    2017-09-01

    Graphite is a model system for the study of three-dimensional electrons and holes in the magnetic quantum limit, in which the charges are confined to the lowest Landau levels. We report magneto-transport measurements in pulsed magnetic fields up to 60 T, which resolve the collapse of two charge density wave states in two, electron and hole, Landau levels at 52.3 and 54.2 T, respectively. We report evidence for a commensurate charge density wave at 47.1 T in the electron Landau level, and discuss the likely nature of the density wave instabilities over the full field range. The theoretical modeling of our results predicts that the ultraquantum limit is entered above 73.5 T. This state is an insulator, and we discuss its correspondence to the "metallic" state reported earlier. We propose that this (interaction-induced) insulating phase supports surface states that carry no charge or spin within the planes, but does, however, support charge transport out of plane.

  2. Nuclear charge radii: density functional theory meets Bayesian neural networks

    Science.gov (United States)

    Utama, R.; Chen, Wei-Chia; Piekarewicz, J.

    2016-11-01

    The distribution of electric charge in atomic nuclei is fundamental to our understanding of the complex nuclear dynamics and a quintessential observable to validate nuclear structure models. The aim of this study is to explore a novel approach that combines sophisticated models of nuclear structure with Bayesian neural networks (BNN) to generate predictions for the charge radii of thousands of nuclei throughout the nuclear chart. A class of relativistic energy density functionals is used to provide robust predictions for nuclear charge radii. In turn, these predictions are refined through Bayesian learning for a neural network that is trained using residuals between theoretical predictions and the experimental data. Although predictions obtained with density functional theory provide a fairly good description of experiment, our results show significant improvement (better than 40%) after BNN refinement. Moreover, these improved results for nuclear charge radii are supplemented with theoretical error bars. We have successfully demonstrated the ability of the BNN approach to significantly increase the accuracy of nuclear models in the predictions of nuclear charge radii. However, as many before us, we failed to uncover the underlying physics behind the intriguing behavior of charge radii along the calcium isotopic chain.

  3. Mapping surface charge density with a scanning nanopipette

    Science.gov (United States)

    Klausen, Lasse Hyldgaard; Fuhs, Thomas; Besenbacher, Flemming; Dong, Mingdong

    2015-03-01

    Characterisation of the surface charge density (SCD) is important in interface and colloid science, and especially local variations in SCD of biological samples are of keen interest. The surface charge of lipid bilayers governs the uptake of charged particles and guides cell-cell interactions. As the electrostatic potential is screened by high physiological salt concentrations, direct probing of the potential can only be performed at a sub nanometer distance; therefore it was impossible to directly measure the SCD under physiological conditions. Yet the charged surface attracts counter ions leading to an enhanced ionic concentration near the surface, creating a measurable surface conductivity. In this study we measure SCD using a scanning ion-conductance microscope (SICM) setup, where the electrolyte current through a nanopipette is monitored as the pipette is positioned in the vicinity of the sample. We investigate the current dependency of SCD and pipette potential using numerical solutions to Poisson and Nernst-Planck equations and characterise a complex system governed by a multitude of factors such as pipette size, geometry and charge. We then propose an imaging method and prove its feasibility by mapping the surface charge density of phase separated lipid bilayers.

  4. Charge density wave dynamics from ultrafast XUV ARPES

    Directory of Open Access Journals (Sweden)

    Frassetto F.

    2013-03-01

    Full Text Available Ultrafast angle–resolved XUV photoemission reveals the time- and momentum-dependent electronic structure of 1T–TaS2, a hybrid Mott and charge-density-wave insulator. Both electronic orderings melt well before the lattice responds, suggesting that electronic correlations play a role not just in the Mott localization but in the CDW ordering as well.

  5. Charge density wave dynamics from ultrafast XUV ARPES

    Science.gov (United States)

    Petersen, J. C.; Kaiser, S.; Dean, N.; Simoncig, A.; Liu, H. Y.; Cavalieri, A. L.; Cacho, C.; Turcu, I. C. E.; Springate, E.; Frassetto, F.; Poletto, L.; Dhesi, S. S.; Berger, H.; Cavalleri, A.

    2013-03-01

    Ultrafast angle-resolved XUV photoemission reveals the time- and momentum-dependent electronic structure of 1T-TaS2, a hybrid Mott and charge-density-wave insulator. Both electronic orderings melt well before the lattice responds, suggesting that electronic correlations play a role not just in the Mott localization but in the CDW ordering as well.

  6. Pressure induced Superconductivity in the Charge Density Wave Compound Tritelluride

    Energy Technology Data Exchange (ETDEWEB)

    Hamlin, J.J.; Zocco, D.A.; Sayles, T.A.; Maple, M.B.; /UC, Davis; Chu, J.-H.; Fisher, I.R.; /Stanford U., Geballe Lab.

    2010-02-15

    A series of high-pressure electrical resistivity measurements on single crystals of TbTe{sub 3} reveal a complex phase diagram involving the interplay of superconducting, antiferromagnetic and charge density wave order. The onset of superconductivity reaches a maximum of almost 4 K (onset) near {approx} 12.4 GPa.

  7. More about systematic errors in charge-density studies.

    Science.gov (United States)

    Henn, Julian; Meindl, Kathrin

    2014-09-01

    In order to detect and graphically visualize the absence or presence of systematic errors in fit data, conditional probabilities are employed to analyze the statistical independence or dependence of fit residuals. This concept is completely general and applicable to all scientific fields in which model parameters are fitted to experimental data. The applications presented in this work refer to published charge-density data.

  8. High density thermite mixture for shaped charge ordnance disposal

    Directory of Open Access Journals (Sweden)

    Tamer Elshenawy

    2017-10-01

    Full Text Available The effect of thermite mixture based on aluminum and ferric oxides for ammunition neutralization has been studied and tested. Thermochemical calculations have been carried out for different percentage of Al using Chemical Equilibrium Code to expect the highest performance thermite mixture used for shaped charge ordnance disposal. Densities and enthalpy of different formulations have been calculated and demonstrated. The optimized thermite formulation has been prepared experimentally using cold iso-static pressing technique, which exhibited relatively high density and high burning rate thermite mixture. The produced green product compacted powder mixture was tested against small caliber shaped charge bomblet for neutralization. Theoretical and experimental results showed that the prepared thermite mixture containing 33% of aluminum as a fuel with ferric oxide can be successfully used for shaped charge ordnance disposal.

  9. Charge transfer in time-dependent density functional theory

    Science.gov (United States)

    Maitra, Neepa T.

    2017-10-01

    Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and bio-chemistry. In many applications the size of the systems involved calls for time-dependent density functional theory (TDDFT) to be used in their computational modeling, due to its unprecedented balance between accuracy and efficiency. However, although exact in principle, in practise approximations must be made for the exchange-correlation functional in this theory, and the standard functional approximations perform poorly for excitations which have a long-range charge-transfer component. Intense progress has been made in developing more sophisticated functionals for this problem, which we review. We point out an essential difference between the properties of the exchange-correlation kernel needed for an accurate description of charge-transfer between open-shell fragments and between closed-shell fragments. We then turn to charge-transfer dynamics, which, in contrast to the excitation problem, is a highly non-equilibrium, non-perturbative, process involving a transfer of one full electron in space. This turns out to be a much more challenging problem for TDDFT functionals. We describe dynamical step and peak features in the exact functional evolving over time, that are missing in the functionals currently used. The latter underestimate the amount of charge transferred and manifest a spurious shift in the charge transfer resonance position. We discuss some explicit examples.

  10. Intertwined orders in holography: pair and charge density waves

    Science.gov (United States)

    Cremonini, Sera; Li, Li; Ren, Jie

    2017-08-01

    Building on [1], we examine a holographic model in which a U(1) symmetry and translational invariance are broken spontaneously at the same time. The symmetry breaking is realized through the Stückelberg mechanism, and leads to a scalar condensate and a charge density which are spatially modulated and exhibit unidirectional stripe order. Depending on the choice of parameters, the oscillations of the scalar condensate can average out to zero, with a frequency which is half of that of the charge density. In this case the system realizes some of the key features of pair density wave order. The model also admits a phase with co-existing superconducting and charge density wave orders, in which the scalar condensate has a uniform component. In our construction the various orders are intertwined with each other and have a common origin. The fully backreacted geometry is computed numerically, including for the case in which the theory contains axions. The latter can be added to explicitly break translational symmetry and mimic lattice-type effects.

  11. The scaling dimension of low lying Dirac eigenmodes and of the topological charge density

    CERN Document Server

    Aubin, C.; Gottlieb, Steven; Gregory, E.B.; Heller, Urs M.; Hetrick, J.E.; Osborn, J.; Sugar, R.; Toussaint, D.; de Forcrand, Ph.; Jahn, Oliver

    2005-01-01

    As a quantitative measure of localization, the inverse participation ratio of low lying Dirac eigenmodes and topological charge density is calculated on quenched lattices over a wide range of lattice spacings and volumes. Since different topological objects (instantons, vortices, monopoles, and artifacts) have different co-dimension, scaling analysis provides information on the amount of each present and their correlation with the localization of low lying eigenmodes.

  12. Superficial Collagen Fibril Modulus and Pericellular Fixed Charge Density Modulate Chondrocyte Volumetric Behaviour in Early Osteoarthritis

    Directory of Open Access Journals (Sweden)

    Petri Tanska

    2013-01-01

    Full Text Available The aim of this study was to investigate if the experimentally detected altered chondrocyte volumetric behavior in early osteoarthritis can be explained by changes in the extracellular and pericellular matrix properties of cartilage. Based on our own experimental tests and the literature, the structural and mechanical parameters for normal and osteoarthritic cartilage were implemented into a multiscale fibril-reinforced poroelastic swelling model. Model simulations were compared with experimentally observed cell volume changes in mechanically loaded cartilage, obtained from anterior cruciate ligament transected rabbit knees. We found that the cell volume increased by 7% in the osteoarthritic cartilage model following mechanical loading of the tissue. In contrast, the cell volume decreased by 4% in normal cartilage model. These findings were consistent with the experimental results. Increased local transversal tissue strain due to the reduced collagen fibril stiffness accompanied with the reduced fixed charge density of the pericellular matrix could increase the cell volume up to 12%. These findings suggest that the increase in the cell volume in mechanically loaded osteoarthritic cartilage is primarily explained by the reduction in the pericellular fixed charge density, while the superficial collagen fibril stiffness is suggested to contribute secondarily to the cell volume behavior.

  13. On the mechanism of charge transport in low density polyethylene

    Science.gov (United States)

    Upadhyay, Avnish K.; Reddy, C. C.

    2017-08-01

    Polyethylene based polymeric insulators, are being increasingly used in the power industry for their inherent advantages over conventional insulation materials. Specifically, modern power cables are almost made with these materials, replacing the mass-impregnated oil-paper cable technology. However, for ultra-high dc voltage applications, the use of these polymeric cables is hindered by ununderstood charge transport and accumulation. The conventional conduction mechanisms (Pool-Frenkel, Schottky, etc.) fail to track high-field charge transport in low density polyethylene, which is semi-crystalline in nature. Until now, attention was devoted mainly to the amorphous region of the material. In this paper, authors propose a novel mechanism for conduction in low density polyethylene, which could successfully track experimental results. As an implication, a novel, substantial relationship is established for electrical conductivity that could be effectively used for understanding conduction and breakdown in polyethylene, which is vital for successful development of ultra-high voltage dc cables.

  14. Fast electronic resistance switching involving hidden charge density wave states

    Science.gov (United States)

    Vaskivskyi, I.; Mihailovic, I. A.; Brazovskii, S.; Gospodaric, J.; Mertelj, T.; Svetin, D.; Sutar, P.; Mihailovic, D.

    2016-05-01

    The functionality of computer memory elements is currently based on multi-stability, driven either by locally manipulating the density of electrons in transistors or by switching magnetic or ferroelectric order. Another possibility is switching between metallic and insulating phases by the motion of ions, but their speed is limited by slow nucleation and inhomogeneous percolative growth. Here we demonstrate fast resistance switching in a charge density wave system caused by pulsed current injection. As a charge pulse travels through the material, it converts a commensurately ordered polaronic Mott insulating state in 1T-TaS2 to a metastable electronic state with textured domain walls, accompanied with a conversion of polarons to band states, and concurrent rapid switching from an insulator to a metal. The large resistance change, high switching speed (30 ps) and ultralow energy per bit opens the way to new concepts in non-volatile memory devices manipulating all-electronic states.

  15. Scattered surface charge density: A tool for surface characterization

    KAUST Repository

    Naydenov, Borislav

    2011-11-28

    We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

  16. High density thermite mixture for shaped charge ordnance disposal

    OpenAIRE

    Elshenawy, Tamer; Soliman, Salah; Hawass, Ahmed

    2017-01-01

    The effect of thermite mixture based on aluminum and ferric oxides for ammunition neutralization has been studied and tested. Thermochemical calculations have been carried out for different percentage of Al using Chemical Equilibrium Code to expect the highest performance thermite mixture used for shaped charge ordnance disposal. Densities and enthalpy of different formulations have been calculated and demonstrated. The optimized thermite formulation has been prepared experimentally using col...

  17. Precise charge density studies by maximum entropy method

    CERN Document Server

    Takata, M

    2003-01-01

    For the production research and development of nanomaterials, their structural information is indispensable. Recently, a sophisticated analytical method, which is based on information theory, the Maximum Entropy Method (MEM) using synchrotron radiation powder data, has been successfully applied to determine precise charge densities of metallofullerenes and nanochannel microporous compounds. The results revealed various endohedral natures of metallofullerenes and one-dimensional array formation of adsorbed gas molecules in nanochannel microporous compounds. The concept of MEM analysis was also described briefly. (author)

  18. The charge and atherogenicity of low density lipoproteins.

    Science.gov (United States)

    Kuznetsov, A S; Missyul, B V

    1992-01-01

    It is concluded on the basis of literature data, that apolipoprotein B-100 is the most high-molecular, hydrophobic, and positive charged protein compared to the other apoproteins of the plasma lipoproteins. Low density lipoproteins of healthy subjects, mainly containing apo B-100, have little heterogeneity on both charge and isoelectric point, in spite of heterogeneity on sizes and apolipoprotein composition. The reason of formation of subfraction with elevated negative charge is the damage with the free radicals and/or aldehydes. The reason of formation of more cationized subfraction is unclear. LDL charge changes are noted in some diseases and syndromes (ischemic heart diseases, familial hyper-alpha-lipoproteinemia, Tangier disease, X-bound ichthyosis and, possibly, others). Some IHD patients treatment with antioxidants leads to the disappearance of negative charged LDL subfraction, that shows participation of peroxidation products in their formation. Electrical characteristics of LDL of tissue fluids and of aorta wall differ essentially from those of the same class plasma lipoproteins. Lipid peroxidation and influences of several enzymes play the main role in these differences.

  19. Lateral phase drift of the topological charge density in stochastic optical fields

    CSIR Research Space (South Africa)

    Roux, FS

    2012-03-01

    Full Text Available complex way during free-space propagation. While the evolution of onedimensional topological charge densities can be described by a linear diffusion process, the evolution of two-dimensional topological charge densities exhibits some additional nonlinear...

  20. Photoemission spectra of charge density wave states in cuprates

    Science.gov (United States)

    Tu, Wei-Lin; Chen, Peng-Jen; Lee, Ting-Kuo

    Angle-resolved photoemission spectroscopy(ARPES) experiments have reported many exotic properties of cuprates, such as Fermi arc at normal state, two gaps at superconducting state and particle-hole asymmetry at the antinodal direction. On the other hand, a number of inhomogeneous states or so-called charge density waves(CDW) states have also been discovered in cuprates by many experimental groups. The relation between these CDW states and ARPES spectra is unclear. With the help of Gutzwiller projected mean-field theory, we can reproduce the quasiparticle spectra in momentum space. The spectra show strong correspondence to the experimental data with afore-mentioned exotic features in it.

  1. 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.

  2. Three-dimensional biofilm properties on dental bonding agent with varying quaternary ammonium charge densities.

    Science.gov (United States)

    Zhou, Han; Liu, Huaibing; Weir, Michael D; Reynolds, Mark A; Zhang, Ke; Xu, Hockin H K

    2016-10-01

    Tooth-restoration interfaces are the weak link with secondary caries causing restoration failure. The objectives of this study were to develop an antimicrobial bonding agent with dimethylaminododecyl methacrylate (DMAHDM), and investigate the effects of quaternary amine charge density on three-dimensional (3D) biofilms on dental resin for the first time. DMAHDM was synthesized and incorporated into Scotchbond Multi-Purpose bonding agent at mass fractions of 0% (control), 2.5%, 5%, 7.5% and 10%. Streptococcus mutans bacteria were inoculated on the polymerized resin and cultured for two days to form biofilms. Confocal laser scanning microscopy was used to measure biofilm thickness, live and dead biofilm volumes, and live bacteria percentage in 3D biofilm vs. distance from resin surface. Charge density of the resin had a significant effect on the antibacterial efficacy (pBiofilms on control resin had the greatest thicknesses. Biofilm thickness and live biofilm volume decreased with increasing surface charge density (pbiofilm thickness (pbiofilm was dead and the percentage of live bacteria was nearly 0% throughout the biofilm thickness. Adding new antibacterial monomer DMAHDM into dental bonding agent yielded a strong antimicrobial activity, substantially decreasing the 3D biofilm thickness, live biofilm volume, and percentage of live bacteria on cross-sections through the biofilm thickness. Novel DMAHDM-containing bonding agent with capability of inhibiting 3D biofilms is promising for a wide range of dental restorative and preventive applications to inhibit biofilms at the tooth-restoration margins and prevent secondary caries. Copyright © 2016 Elsevier Ltd. All rights reserved.

  3. η' meson mass from topological charge density correlator in QCD

    Science.gov (United States)

    Fukaya, H.; Aoki, S.; Cossu, G.; Hashimoto, S.; Kaneko, T.; Noaki, J.; Jlqcd Collaboration

    2015-12-01

    The flavor-singlet component of the η' meson is related to the topological structure of the SU(3) gauge field through the chiral anomaly. We perform a 2 +1 -flavor lattice QCD calculation and demonstrate that the two-point function of a gluonically defined topological charge density after a short Yang-Mills gradient flow contains the propagation of the η' meson, by showing that its mass in the chiral and continuum limit is consistent with the experimental value. The gluonic correlator does not suffer from the contamination of the pion contribution, and the clean signal is obtained at significantly lower numerical cost compared to the conventional method with the quark bilinear operators.

  4. Evidence against a charge density wave on Bi(111)

    Energy Technology Data Exchange (ETDEWEB)

    Kim, T.K.; Wells, J.; Kirkegaard, C.; Li, Z.; Hoffmann, S.V.; Gayone, J.E.; Fernancez-Torrente, I.; Haberle, P.; Pascual, J.I.; Moore,K.T.; Schwartz, A.J.; He, H.; Spence, J.C.H.; Downing, K.H.; Lazar, S.; Tichelaar, F.D.; Borisenko, S.V.; Knupfer, M.; Hofmann, Ph.

    2005-05-01

    The Bi(111) surface was studied by scanning tunneling microscopy (STM), transmission electron microscopy (TEM) and angle-resolved photoemission (ARPES) in order to verify the existence of a recently proposed surface charge density wave (CDW) [Ch. R. Ast and H. Hoechst Phys. Rev. Lett. 90, 016403 (2003)]. The STM and TEM results to not support a CDW scenario at low temperatures. Furthermore, the quasiparticle interference pattern observed in STM confirms the spin-orbit split character of the surface states which prevents the formation of a CDW, even in the case of good nesting. The dispersion of the electronic states observed with ARPES agrees well with earlier findings. In particular, the Fermi contour of the electron pocket at the centre of the surface Brillouin zone is found to have a hexagonal shape. However, no gap opening or other signatures of a CDW phase transition can be found in the temperature-dependent data.

  5. Electric Double Layer electrostatics of spherical polyelectrolyte brushes with pH-dependent charge density

    Science.gov (United States)

    Li, Hao; Chen, Guang; Sinha, Shayandev; Das, Siddhartha; Soft Matter, Interfaces,; Energy Laboratory (Smiel) Team

    Understanding the electric double layer (EDL) electrostatics of spherical polyelectrolyte (PE) brushes, which are spherical particles grafted with PE layers, is essential for appropriate use of PE-grfated micro-nanoparticles for targeted drug delivery, oil recovery, water harvesting, emulsion stabilization, emulsion breaking, etc. Here we elucidate the EDL electrostatics of spherical PE brushes for the case where the PE exhibits pH-dependent charge density. This pH-dependence necessitates the consideration of explicit hydrogen ion concentration, which in turn dictates the distribution of monomers along the length of the grafted PE. This monomer distribution is shown to be a function of the nature of the sphere (metallic or a charged or uncharged dielectric or a liquid-filled sphere). All the calculations are performed for the case where the PE electrostatics can be decoupled from the PE elastic and excluded volume effects. Initial predictions are also provided for the case where such decoupling is not possible.

  6. Measurement of muon charge ratio with the Large Volume Detector

    CERN Document Server

    Agafonova, N.Yu.; Antonioli, P.; Bari, G.; Bertoni, R.; Boyarkin, V.V.; Bressan, E.; Bruno, G.; Dadykin, V.L.; Dobrynina, E.A.; Enikeev, R.I.; Fulgione, W.; Galeotti, P.; Garbini, M.; Ghia, P.L.; Giusti, P.; Kemp, E.; Malgin, A.S.; Miguez, B.; Molinario, A.; Persiani, R.; Pless, I.A.; Ryasny, V.G.; Ryazhskaya, O.G.; Saavedra, O.; Sartorelli, G.; Selvi, M.; Trinchero, G.C.; Vigorito, C.; Yakushev, V.F.; Zichichi, A.

    2013-01-01

    The value of ${\\mu^+/\\mu^-}$ ratio for atmospheric muons has been measured with the Large Volume Detector, (LVD) at the INFN Gran Sasso National Laboratory, Italy (minimal depth is 3000 m w.e.). To reach this depth muons should have an energy at the sea level higher than 1.3 TeV. The muon charge is determined studying the decay of stopping positive muons in the LVD iron structure and the decay of stopping positive and negative muons in scintillator. We obtain a ratio ${R = 1.26 \\pm 0.04(stat) \\pm 0.11(sys)}$.

  7. Overall Charge and Local Charge Density of Pectin Determines the Enthalpic and Entropic Contributions to Complexation with beta-Lactoglobulin

    NARCIS (Netherlands)

    Sperber, Bram L. H. M.; Stuart, Martien A. Cohen; Schols, Henk A.; Voragen, Alphons G. J.; Norde, Willem

    2010-01-01

    The complex formation between beta-lactoglobulin and pectins of varying overall charge and local charge density were investigated. Isothermal titration calorimetry experiments were carried out to determine the enthalpic contribution to the complex formation at pH 4.25 and various ionic strengths.

  8. About systematic errors in charge-density studies.

    Science.gov (United States)

    Henn, Julian; Meindl, Kathrin

    2014-05-01

    The formerly introduced theoretical R values [Henn & Schönleber (2013). Acta Cryst. A69, 549-558] are used to develop a relative indicator of systematic errors in model refinements, R(meta), and applied to published charge-density data. The counter of R(meta) gives an absolute measure of systematic errors in percentage points. The residuals (Io - Ic)/σ(Io) of published data are examined. It is found that most published models correspond to residual distributions that are not consistent with the assumption of a Gaussian distribution. The consistency with a Gaussian distribution, however, is important, as the model parameter estimates and their standard uncertainties from a least-squares procedure are valid only under this assumption. The effect of correlations introduced by the structure model is briefly discussed with the help of artificial data and discarded as a source of serious correlations in the examined example. Intensity and significance cutoffs applied in the refinement procedure are found to be mechanisms preventing residual distributions from becoming Gaussian. Model refinements against artificial data yield zero or close-to-zero values for R(meta) when the data are not truncated and small negative values in the case of application of a moderate cutoff Io > 0. It is well known from the literature that the application of cutoff values leads to model bias [Hirshfeld & Rabinovich (1973). Acta Cryst. A29, 510-513].

  9. Accurate charge density of trialanine: a comparison of the multipole formalism and the maximum entropy method (MEM).

    Science.gov (United States)

    Hofmann, Andreas; Netzel, Jeanette; van Smaalen, Sander

    2007-04-01

    An accurate charge density study of trialanine is presented with the maximum entropy method (MEM), on the basis of the same reflection data as was used for a multipole refinement [Rödel et al. (2006). Org. Biomol. Chem. 4, 475-481]. With the MEM, the optimum fit to the data is found to correspond to a final value of chi(2) which is less than its statistical expectation value N(Ref), where N(Ref) is the number of reflections. A refinement strategy is presented that determines the optimal goal for chi(2). It is shown that the MEM and the multipole method are on a par with regard to the reproduction of atomic charges and volumes, general topological features and trends in the charge density in the bond critical points (BCPs). Regarding the values of the charge densities in the BCPs, agreement between quantum chemical calculations, the multipole method and MEM is good, but not perfect. In the case of the Laplacians, the coincidence is not as good and especially the Laplacians of the C-O bonds differ strongly. One of the reasons for the observed differences in the topological parameters in the BCPs is the fact that MEM densities still include the effects of thermal motion, whereas multipole densities are free from the effects of thermal motion. Hydrogen bonds are more convincingly reproduced by the MEM than by multipole models.

  10. First-principle calculation of electrons charge density in the diamond ...

    African Journals Online (AJOL)

    . It has been found that in each crystal, the total electrons charge density along the [100] and [010] directions are equal, however, the charge densities at a given distance from the center of the cell along [001] and [100] directions are not exactly

  11. Far-Infrared Study of the Charge Density Wave in Tetrathiofulvalene Tetracyanoquinodimethane (TTF-TCNQ)

    DEFF Research Database (Denmark)

    Tanner, D. B.; Cummings, K. D.; Jacobsen, Claus Schelde

    1981-01-01

    Detailed far-infrared measurements at temperatures from 25 to 300 K provide strong support for a charge-density-wave mechanism for the dc conductivity and microwave dielectric constant of tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ). At low temperatures the charge-density wave is pinned...

  12. Novel charge density wave transition in crystals of R 5 Ir 4 Si 10

    Indian Academy of Sciences (India)

    Charge density waves; superconductivity; magnetism. Abstract. We review the observation of novel charge density wave (CDW) transitions in ternary R5Ir4Si10 compounds. A high quality single crystal of Lu5Ir4Si10 ... S Ramakrishnan1. Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005, India ...

  13. Charge Density Quantification of Polyelectrolyte Polysaccharides by Conductometric Titration: An Analytical Chemistry Experiment

    Science.gov (United States)

    Farris, Stefano; Mora, Luigi; Capretti, Giorgio; Piergiovanni, Luciano

    2012-01-01

    An easy analytical method for determination of the charge density of polyelectrolytes, including polysaccharides and other biopolymers, is presented. The basic principles of conductometric titration, which is used in the pulp and paper industry as well as in colloid and interface science, were adapted to quantify the charge densities of a…

  14. ICPP: Charge and Density Coupling in Nonideal Plasmas

    Science.gov (United States)

    Fortov, V. E.

    2000-10-01

    Plasmas with Strong Coulomb Interaction (SCI) are found in astrophysics, planetary physics, inertial confinement fusion, advanced energetics and elsewhere[1]. SCI plasmas can be achieved in: I Dusty plasmas, II Shock-compressed plasmas. I. SCI in low-density dusty (colloidal) plasmas arises from the high charge of micron-size macroparticles[2]. Experiments use glow and inductive RF discharges, combustion flames of gas and solid propellant, ultraviolet light beams, and radioactive decay fluxes. Liquid- and solid-like structures are seen, and phase diagrams and transitions investigated by experiment and simulation. Zero-g experiments on space station Mir and in aircraft clarified the gravity effect on plasma crystal formation. II. Plasma SCI can arise in shock compression of solid and porous metals, noble gases, hydrogen, sulphur, and iodine at megabar pressures [3,4], using high explosive drive. Phase diagram regions were examined, where thermal and pressure ionization exist. Multiple-shock-compressed hydrogen can show metal-like conductivity from pressure ionization. The ``metal-to-dielectric" transition in shock-compressed lithium at 0.5 Mbar was detected and analyzed. Thermodynamics, equation of state, plasma composition, electrical and radiative properties show SCI suppression of discrete electron spectra and strong lowering of ionization potentials, evoking the ``confined-atom" model[5] for SCI and other models[6]. [1] V.E.Fortov, I.T.Yakubov, Physics of Nonideal Plasmas, Hemisphere, N.Y.-London (1989). [2] V.E.Fortov, A.P.Nefedov, O.F.Petrov, Soviet Physics-Uspekhy, 167(1997)1215. [3] V.Gryaznov, I.Iosilevsky, V.Fortov, Contrib. Plasma Physics, 39(1999)89. [4] V.Ya.Temovoi, A.S. Filimonov, V.E.Fortov et al. Proc. XXXVI EHPRG Meeting, Catania, Italy (1998). [5] V.K.Gryaznov, M.V.Zhernokletov et al. Zh. Exp. Teor. Fiz. (Soviet JETP) 78(1980) 573. [6] V.Ebeling, A.Foerster, V.Fortov et al. Thermodynamical Properties of Hot Dense Plasmas, Teubner Verlaggeselschaft

  15. Method for Estimating the Charge Density Distribution on a Dielectric Surface.

    Science.gov (United States)

    Nakashima, Takuya; Suhara, Hiroyuki; Murata, Hidekazu; Shimoyama, Hiroshi

    2017-06-01

    High-quality color output from digital photocopiers and laser printers is in strong demand, motivating attempts to achieve fine dot reproducibility and stability. The resolution of a digital photocopier depends on the charge density distribution on the organic photoconductor surface; however, directly measuring the charge density distribution is impossible. In this study, we propose a new electron optical instrument that can rapidly measure the electrostatic latent image on an organic photoconductor surface, which is a dielectric surface, as well as a novel method to quantitatively estimate the charge density distribution on a dielectric surface by combining experimental data obtained from the apparatus via a computer simulation. In the computer simulation, an improved three-dimensional boundary charge density method (BCM) is used for electric field analysis in the vicinity of the dielectric material with a charge density distribution. This method enables us to estimate the profile and quantity of the charge density distribution on a dielectric surface with a resolution of the order of microns. Furthermore, the surface potential on the dielectric surface can be immediately calculated using the obtained charge density. This method enables the relation between the charge pattern on the organic photoconductor surface and toner particle behavior to be studied; an understanding regarding the same may lead to the development of a new generation of higher resolution photocopiers.

  16. Phase coexistence and pinning of charge density waves by interfaces in chromium

    Energy Technology Data Exchange (ETDEWEB)

    Singer, A.; Patel, S. K. K.; Uhlíř, V.; Kukreja, R.; Ulvestad, A.; Dufresne, E. M.; Sandy, A. R.; Fullerton, E. E.; Shpyrko, O. G.

    2016-11-01

    We study the temperature dependence of the charge density wave (CDW) in a chromium thin film using x-ray diffraction. We exploit the interference between the CDW satellite peaks and Laue oscillations to determine the amplitude, the phase, and the period of the CDW. We find discrete half-integer periods of CDW in the film and switching of the number of periods by one upon cooling/heating with a thermal hysteresis of 20 K. The transition between different CDWperiods occurs over a temperature range of 30 K, slightly larger than the width of the thermal hysteresis. A comparison with simulations shows that the phase transition occurs as a variation of the volume fraction of two distinct phases with well-defined periodicities. The phase of the CDW is constant for all temperatures, and we attribute it to strong pinning of the CDW by the mismatch-induced strain at the film-substrate interface.

  17. Quantum coherent switch utilizing commensurate nanoelectrode and charge density periodicities

    Science.gov (United States)

    Harrison, Neil [Santa Fe, NM; Singleton, John [Los Alamos, NM; Migliori, Albert [Santa Fe, NM

    2008-08-05

    A quantum coherent switch having a substrate formed from a density wave (DW) material capable of having a periodic electron density modulation or spin density modulation, a dielectric layer formed onto a surface of the substrate that is orthogonal to an intrinsic wave vector of the DW material; and structure for applying an external spatially periodic electrostatic potential over the dielectric layer.

  18. Effect of reinforcement volume fraction on the density & elastic ...

    African Journals Online (AJOL)

    It was found the elastic moduli of high volume fraction composites are improved with the introduction of certain materials reinforcement such as Mo, Pt, Cr, Fe, U, etc. However, they decrease with some other materials reinforcements, as in the case of glass E and Cd. Moreover, we showed that the densities and elastic ...

  19. Ionic Asymmetry and Solvent Excluded Volume Effects on Spherical Electric Double Layers: A Density Functional Approach

    Energy Technology Data Exchange (ETDEWEB)

    Medasani, Bharat; Ovanesyan, Zaven; Thomas, Dennis G.; Sushko, Maria L.; Marucho, Marcelo

    2014-05-29

    In this article we present a classical density functional theory for electrical double layers of spherical macroions that extends the capabilities of conventional approaches by accounting for electrostatic ion correlations, size asymmetry and excluded volume effects. The approach is based on a recent approximation introduced by Hansen-Goos and Roth for the hard sphere excess free energy of inhomogeneous fluids (J. Chem. Phys. 124, 154506). It accounts for the proper and efficient description of the effects of ionic asymmetry and solvent excluded volume, especially at high ion concentrations and size asymmetry ratios including those observed in experimental studies. Additionally, we utilize a leading functional Taylor expansion approximation of the ion density profiles. In addition, we use the Mean Spherical Approximation for multi-component charged hard sphere fluids to account for the electrostatic ion correlation effects. These approximations are implemented in our theoretical formulation into a suitable decomposition of the excess free energy which plays a key role in capturing the complex interplay between charge correlations and excluded volume effects. We perform Monte Carlo simulations in various scenarios to validate the proposed approach, obtaining a good compromise between accuracy and computational cost. We use the proposed computational approach to study the effects of ion size, ion size asymmetry and solvent excluded volume on the ion profiles, integrated charge, mean electrostatic potential, and ionic coordination number around spherical macroions in various electrolyte mixtures. Our results show that both solvent hard sphere diameter and density play a dominant role in the distribution of ions around spherical macroions, mainly for experimental water molarity and size values where the counterion distribution is characterized by a tight binding to the macroion, similar to that predicted by the Stern model.

  20. Reactivity of biogenic silica: Surface versus bulk charge density

    NARCIS (Netherlands)

    Loucaides, S.; Behrends, T.; Van Cappellen, P.

    2010-01-01

    Acid–base titrations were carried out at three different ionic strengths (0.01, 0.1 and 0.7 M NaCl) on a range of marine and continental biosiliceous materials. The large variability in electrical charging behavior of the various materials is consistent with the existence of two pools of ionizable

  1. Planar density of vacuum charge induced by a supercritical Coulomb potential

    Energy Technology Data Exchange (ETDEWEB)

    Khalilov, V.R., E-mail: khalilov@phys.msu.ru; Mamsurov, I.V.

    2017-06-10

    Analytical expressions for the planar density of an induced vacuum charge are obtained in a strong Coulomb potential in coordinate space. Treatment is based on a self-adjoint extension approach for constructing of the Green's function of a charged fermion in an external electromagnetic field. Induced vacuum charge density is calculated and analyzed in subcritical and supercritical Coulomb potentials for massless and massive fermions. We argue that the virtual and so-called real vacuum polarizations contribute in an induced vacuum charge in a supercritical Coulomb potential. The behavior of the polarization vacuum charge density is investigated at long and short distances from the Coulomb center. The induced vacuum charge has a screening sign. Screening of a Coulomb impurity in graphene is briefly discussed. The real vacuum polarization charge density that acquires the quantum electrodynamics vacuum in a supercritical Coulomb potential due to the real vacuum polarization is calculated. It is shown that the vacuum charge densities essentially differ in massive and massless cases. We expect that our results can, as a matter of principle, be tested in graphene with a supercritical Coulomb impurity.

  2. Planar density of vacuum charge induced by a supercritical Coulomb potential

    Directory of Open Access Journals (Sweden)

    V.R. Khalilov

    2017-06-01

    Full Text Available Analytical expressions for the planar density of an induced vacuum charge are obtained in a strong Coulomb potential in coordinate space. Treatment is based on a self-adjoint extension approach for constructing of the Green's function of a charged fermion in an external electromagnetic field. Induced vacuum charge density is calculated and analyzed in subcritical and supercritical Coulomb potentials for massless and massive fermions. We argue that the virtual and so-called real vacuum polarizations contribute in an induced vacuum charge in a supercritical Coulomb potential. The behavior of the polarization vacuum charge density is investigated at long and short distances from the Coulomb center. The induced vacuum charge has a screening sign. Screening of a Coulomb impurity in graphene is briefly discussed. The real vacuum polarization charge density that acquires the quantum electrodynamics vacuum in a supercritical Coulomb potential due to the real vacuum polarization is calculated. It is shown that the vacuum charge densities essentially differ in massive and massless cases. We expect that our results can, as a matter of principle, be tested in graphene with a supercritical Coulomb impurity.

  3. Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

    Science.gov (United States)

    Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

    2016-08-01

    Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity of QSCM by mapping the surface charge density of model cationic, anionic and zwitterionic lipids with results accurately matching theoretical values.

  4. Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy.

    Science.gov (United States)

    Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

    2016-08-26

    Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity of QSCM by mapping the surface charge density of model cationic, anionic and zwitterionic lipids with results accurately matching theoretical values.

  5. Lateral diffusion of the topological charge density in stochastic optical fields

    CSIR Research Space (South Africa)

    Roux, FS

    2010-01-01

    Full Text Available Stochastic (i.e. random and quasi-random) optical fields may contain distributions of optical vortices that are represented by non-uniform topological charge densities. Numerical simulations are used to investigate the evolution under free...

  6. Fractal dimension of the topological charge density distribution in SU(2) lattice gluodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Buividovich, P.V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Institute for Theoretical and Experimental Physics ITEP, Moscow (Russian Federation); Kalaydzhyan, T. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Institute for Theoretical and Experimental Physics ITEP, Moscow (Russian Federation); Polikarpov, M.I. [Institute for Theoretical and Experimental Physics ITEP, Moscow (Russian Federation)

    2011-11-15

    We study the effect of cooling on the spatial distribution of the topological charge density in quenched SU(2) lattice gauge theory with overlap fermions. We show that as the gauge field configurations are cooled, the Hausdorff dimension of regions where the topological charge is localized gradually changes from d=2/3 towards the total space dimension. Hence the cooling procedure destroys some of the essential properties of the topological charge distribution. (orig.)

  7. Rendering high charge density of states in ionic liquid-gated MoS 2 transistors

    NARCIS (Netherlands)

    Lee, Y.; Lee, J.; Kim, S.; Park, H.S.

    2014-01-01

    We investigated high charge density of states (DOS) in the bandgap of MoS2 nanosheets with variable temperature measurements on ionic liquid-gated MoS2 transistors. The thermally activated charge transport indicates that the electrical current in the two-dimensional MoS 2 nanosheets under high

  8. Charged particle density distributions in Au·Au collisions at ...

    Indian Academy of Sciences (India)

    Charged particle pseudorapidity distributions have been measured in Au·Au collisions using the BRAHMS ... Relativistic heavy-ion collisions; charged hadron production; pseudorapidity distribu- tions; centrality .... the predictions of two different theoretical models: (i) the high density gluon saturation model of Kharzeev and ...

  9. Methodology for extraction of space charge density profiles at nanoscale from Kelvin probe force microscopy measurements

    Science.gov (United States)

    Villeneuve-Faure, C.; Boudou, L.; Makasheva, K.; Teyssedre, G.

    2017-12-01

    To understand the physical phenomena occurring at metal/dielectric interfaces, determination of the charge density profile at nanoscale is crucial. To deal with this issue, charges were injected applying a DC voltage on lateral Al-electrodes embedded in a SiN x thin dielectric layer. The surface potential induced by the injected charges was probed by Kelvin probe force microscopy (KPFM). It was found that the KPFM frequency mode is a better adapted method to probe accurately the charge profile. To extract the charge density profile from the surface potential two numerical approaches based on the solution to Poisson’s equation for electrostatics were investigated: the second derivative model method, already reported in the literature, and a new 2D method based on the finite element method (FEM). Results highlight that the FEM is more robust to noise or artifacts in the case of a non-flat initial surface potential. Moreover, according to theoretical study the FEM appears to be a good candidate for determining charge density in dielectric films with thicknesses in the range from 10 nm to 10 μm. By applying this method, the charge density profile was determined at nanoscale, highlighting that the charge cloud remains close to the interface.

  10. On contribution of known atomic partial charges of protein backbone in electrostatic potential density maps.

    Science.gov (United States)

    Wang, Jimin

    2017-06-01

    Partial charges of atoms in a molecule and electrostatic potential (ESP) density for that molecule are known to bear a strong correlation. In order to generate a set of point-field force field parameters for molecular dynamics, Kollman and coworkers have extracted atomic partial charges for each of all 20 amino acids using restrained partial charge-fitting procedures from theoretical ESP density obtained from condensed-state quantum mechanics. The magnitude of atomic partial charges for neutral peptide backbone they have obtained is similar to that of partial atomic charges for ionized carboxylate side chain atoms. In this study, the effect of these known atomic partial charges on ESP is examined using computer simulations and compared with the experimental ESP density recently obtained for proteins using electron microscopy. It is found that the observed ESP density maps are most consistent with the simulations that include atomic partial charges of protein backbone. Therefore, atomic partial charges are integral part of atomic properties in protein molecules and should be included in model refinement. © 2017 The Protein Society.

  11. Methodology for extraction of space charge density profiles at nanoscale from Kelvin probe force microscopy measurements.

    Science.gov (United States)

    Villeneuve-Faure, C; Boudou, L; Makasheva, K; Teyssedre, G

    2017-12-15

    To understand the physical phenomena occurring at metal/dielectric interfaces, determination of the charge density profile at nanoscale is crucial. To deal with this issue, charges were injected applying a DC voltage on lateral Al-electrodes embedded in a SiN x thin dielectric layer. The surface potential induced by the injected charges was probed by Kelvin probe force microscopy (KPFM). It was found that the KPFM frequency mode is a better adapted method to probe accurately the charge profile. To extract the charge density profile from the surface potential two numerical approaches based on the solution to Poisson's equation for electrostatics were investigated: the second derivative model method, already reported in the literature, and a new 2D method based on the finite element method (FEM). Results highlight that the FEM is more robust to noise or artifacts in the case of a non-flat initial surface potential. Moreover, according to theoretical study the FEM appears to be a good candidate for determining charge density in dielectric films with thicknesses in the range from 10 nm to 10 μm. By applying this method, the charge density profile was determined at nanoscale, highlighting that the charge cloud remains close to the interface.

  12. Calculation of solvation free energy from quantum mechanical charge density and continuum dielectric theory.

    Science.gov (United States)

    Wang, Mingliang; Wong, Chung F

    2006-04-13

    We have combined ultrasoft pseudopotential density functional theory utilizing plane wave basis with a Poisson-Boltzmann/solvent-accessible surface area (PB/SA) model to calculate the solvation free energy of small neutral organic compounds in water. The solute charge density obtained from density functional theory was directly used in solving the Poisson-Boltzmann equation to obtain the reaction field. The polarized electronic wave function of the solute in the solvent was solved by including the reaction field in the density functional Hamiltonian. The quantum mechanical and Poisson-Boltzmann equations were solved self-consistently until the charge density and reaction field converged. Using the solute charge density directly instead of a point-charge representation permitted asymmetric distortion and spreading out of the electron cloud. Because the electron density could leave the van der Waals surface to penetrate into the high-dielectric solvent, the reaction field generated by this density was generally smaller than that obtained by using the point-charge representation. In applying this model to calculate the solvation free energy of 31 small neutral organic molecules spanning a range of 25 kcal/mol, we obtained a root-mean-square error of only 1.3 kcal/mol if we allowed one adjustable parameter to shift the calculated solvation free energy.

  13. An Analytical Planning Model to Estimate the Optimal Density of Charging Stations for Electric Vehicles.

    Directory of Open Access Journals (Sweden)

    Yongjun Ahn

    Full Text Available The charging infrastructure location problem is becoming more significant due to the extensive adoption of electric vehicles. Efficient charging station planning can solve deeply rooted problems, such as driving-range anxiety and the stagnation of new electric vehicle consumers. In the initial stage of introducing electric vehicles, the allocation of charging stations is difficult to determine due to the uncertainty of candidate sites and unidentified charging demands, which are determined by diverse variables. This paper introduces the Estimating the Required Density of EV Charging (ERDEC stations model, which is an analytical approach to estimating the optimal density of charging stations for certain urban areas, which are subsequently aggregated to city level planning. The optimal charging station's density is derived to minimize the total cost. A numerical study is conducted to obtain the correlations among the various parameters in the proposed model, such as regional parameters, technological parameters and coefficient factors. To investigate the effect of technological advances, the corresponding changes in the optimal density and total cost are also examined by various combinations of technological parameters. Daejeon city in South Korea is selected for the case study to examine the applicability of the model to real-world problems. With real taxi trajectory data, the optimal density map of charging stations is generated. These results can provide the optimal number of chargers for driving without driving-range anxiety. In the initial planning phase of installing charging infrastructure, the proposed model can be applied to a relatively extensive area to encourage the usage of electric vehicles, especially areas that lack information, such as exact candidate sites for charging stations and other data related with electric vehicles. The methods and results of this paper can serve as a planning guideline to facilitate the extensive

  14. An Analytical Planning Model to Estimate the Optimal Density of Charging Stations for Electric Vehicles.

    Science.gov (United States)

    Ahn, Yongjun; Yeo, Hwasoo

    2015-01-01

    The charging infrastructure location problem is becoming more significant due to the extensive adoption of electric vehicles. Efficient charging station planning can solve deeply rooted problems, such as driving-range anxiety and the stagnation of new electric vehicle consumers. In the initial stage of introducing electric vehicles, the allocation of charging stations is difficult to determine due to the uncertainty of candidate sites and unidentified charging demands, which are determined by diverse variables. This paper introduces the Estimating the Required Density of EV Charging (ERDEC) stations model, which is an analytical approach to estimating the optimal density of charging stations for certain urban areas, which are subsequently aggregated to city level planning. The optimal charging station's density is derived to minimize the total cost. A numerical study is conducted to obtain the correlations among the various parameters in the proposed model, such as regional parameters, technological parameters and coefficient factors. To investigate the effect of technological advances, the corresponding changes in the optimal density and total cost are also examined by various combinations of technological parameters. Daejeon city in South Korea is selected for the case study to examine the applicability of the model to real-world problems. With real taxi trajectory data, the optimal density map of charging stations is generated. These results can provide the optimal number of chargers for driving without driving-range anxiety. In the initial planning phase of installing charging infrastructure, the proposed model can be applied to a relatively extensive area to encourage the usage of electric vehicles, especially areas that lack information, such as exact candidate sites for charging stations and other data related with electric vehicles. The methods and results of this paper can serve as a planning guideline to facilitate the extensive adoption of electric

  15. An Analytical Planning Model to Estimate the Optimal Density of Charging Stations for Electric Vehicles

    Science.gov (United States)

    Ahn, Yongjun; Yeo, Hwasoo

    2015-01-01

    The charging infrastructure location problem is becoming more significant due to the extensive adoption of electric vehicles. Efficient charging station planning can solve deeply rooted problems, such as driving-range anxiety and the stagnation of new electric vehicle consumers. In the initial stage of introducing electric vehicles, the allocation of charging stations is difficult to determine due to the uncertainty of candidate sites and unidentified charging demands, which are determined by diverse variables. This paper introduces the Estimating the Required Density of EV Charging (ERDEC) stations model, which is an analytical approach to estimating the optimal density of charging stations for certain urban areas, which are subsequently aggregated to city level planning. The optimal charging station’s density is derived to minimize the total cost. A numerical study is conducted to obtain the correlations among the various parameters in the proposed model, such as regional parameters, technological parameters and coefficient factors. To investigate the effect of technological advances, the corresponding changes in the optimal density and total cost are also examined by various combinations of technological parameters. Daejeon city in South Korea is selected for the case study to examine the applicability of the model to real-world problems. With real taxi trajectory data, the optimal density map of charging stations is generated. These results can provide the optimal number of chargers for driving without driving-range anxiety. In the initial planning phase of installing charging infrastructure, the proposed model can be applied to a relatively extensive area to encourage the usage of electric vehicles, especially areas that lack information, such as exact candidate sites for charging stations and other data related with electric vehicles. The methods and results of this paper can serve as a planning guideline to facilitate the extensive adoption of electric

  16. Luttinger liquid versus charge density wave behaviour in the one-dimensional spinless fermion Holstein model

    Energy Technology Data Exchange (ETDEWEB)

    Fehske, H. [Institut fuer Physik, Universitaet Greifswald, D-17487 Greifswald (Germany)]. E-mail: fehske@physik.uni-greifswald.de; Wellein, G. [Regionales Rechenzentrum Erlangen, Universitaet Erlangen-Nuernberg (Germany); Hager, G. [Regionales Rechenzentrum Erlangen, Universitaet Erlangen-Nuernberg (Germany); Weisse, A. [School of Physics, University of New South Wales, Sydney, NSW 2052 (Australia); Becker, K.W. [Institut fuer Theoretische Physik, TU Dresden, D-01062 Dresden (Germany); Bishop, A.R. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2005-04-30

    We discuss the nature of the different ground states of the half-filled Holstein model of spinless fermions in 1D. In the metallic regime we determine the renormalised effective coupling constant and the velocity of the charge excitations by a density-matrix renormalisation group (DMRG) finite-size scaling approach. At low (high) phonon frequencies the Luttinger liquid is characterised by an attractive (repulsive) effective interaction. In the charge-density wave Peierls-distorted state the charge structure factor scales to a finite value indicating long-range order.

  17. Chemical bonding and charge density distribution analysis of ...

    Indian Academy of Sciences (India)

    A-site deficient, Lanthanum substituted Ba1−xLa2x/3TiO3 (x=0.000, 0.005, 0.015, 0.020 and 0.025) ceramics have been synthesized by chemical route. The effects of lanthanum dopant on the BaTiO3 lattice and the electron density distributions in the unit cell of the samples were investigated. Structural studies suggested ...

  18. Accurate charge density of the tripeptide Ala-Pro-Ala with the maximum entropy method (MEM): influence of data resolution.

    Science.gov (United States)

    Hofmann, Andreas; Kalinowski, Roman; Luger, Peter; van Smaalen, Sander

    2007-08-01

    The accurate electron density of Ala-Pro-Ala is determined by the maximum entropy method (MEM), employing the same reflection data measured at 100 K which was used for a multipole refinement by Kalinowski et al. [(2007), Acta Cryst. Accepted for publication]. Properties of the electron density are compared with the corresponding properties of the static electron density from the multipole model and to the dynamic MEM electron density of trialanine at 20 K. It is thus shown that the increased thermal smearing at 100 K leads to lower electron densities in the bond critical points and atomic charges closer to zero for Ala-Pro-Ala than has been obtained for trialanine at 20 K. The influence of the resolution of the data is investigated by a series of MEM calculations. Atomic charges and atomic volumes are found not to depend on the resolution, but the charge density in the BCPs decreases with decreasing resolution of the dataset. The origin of this dependence is found to lie mostly in the more accurate estimate of the atomic displacement parameters (ADPs) for the higher-resolution datasets. If these effects are taken into account, meaningful information on chemical bonding can be obtained with data at a resolution better than d(min) = 0.63 A. Alternatively, low-resolution X-ray diffraction data can be used in accurate electron-density studies by the MEM, if another source of accurate values of the ADPs is available, e.g. from refinements with multipole parameters from a database of transferable multipole parameters.

  19. The Effect of Molar Mass and Charge Density on the Formation of Complexes between Oppositely Charged Polyelectrolytes

    Directory of Open Access Journals (Sweden)

    Feriel Meriem Lounis

    2017-02-01

    Full Text Available The interactions between model polyanions and polycations have been studied using frontal continuous capillary electrophoresis (FACCE which allows the determination of binding stoichiometry and binding constant of the formed polyelectrolyte complex (PEC. In this work, the effect of the poly(l-lysine (PLL molar mass on the interaction with statistical copolymers of acrylamide and 2-acrylamido-2-methyl-1-propanesulfonate (PAMAMPS has been systematically investigated for different PAMAMPS chemical charge densities (15% and 100% and different ionic strengths. The study of the ionic strength dependence of the binding constant allowed the determination of the total number of released counter-ions during the formation of the PEC, which can be compared to the total number of counter-ions initially condensed on the individual polyelectrolyte partners before the association. Interestingly, this fraction of released counter-ions, which was strongly dependent on the PLL molar mass, was almost independent of the PAMAMPS charge density. These findings are useful to predict the binding constant according to the molar mass and charge density of the polyelectrolyte partners.

  20. Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling.

    Science.gov (United States)

    Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero

    2017-08-01

    The possibility to determine electron-density distribution in crystals has been an enormous breakthrough, stimulated by a favourable combination of equipment for X-ray and neutron diffraction at low temperature, by the development of simplified, though accurate, electron-density models refined from the experimental data and by the progress in charge density analysis often in combination with theoretical work. Many years after the first successful charge density determination and analysis, scientists face new challenges, for example: (i) determination of the finer details of the electron-density distribution in the atomic cores, (ii) simultaneous refinement of electron charge and spin density or (iii) measuring crystals under perturbation. In this context, the possibility of obtaining experimental charge density at high pressure has recently been demonstrated [Casati et al. (2016). Nat. Commun. 7, 10901]. This paper reports on the necessities and pitfalls of this new challenge, focusing on the species syn-1,6:8,13-biscarbonyl[14]annulene. The experimental requirements, the expected data quality and data corrections are discussed in detail, including warnings about possible shortcomings. At the same time, new modelling techniques are proposed, which could enable specific information to be extracted, from the limited and less accurate observations, like the degree of localization of double bonds, which is fundamental to the scientific case under examination.

  1. Tuning the charge carrier density in the thermoelectric colusite

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Fiseong S.; Suekuni, Koichiro, E-mail: ksuekuni@hiroshima-u.ac.jp; Tanaka, Hiromi I. [Department of Quantum Matter, Graduate School of Advanced Sciences of Matter, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8530 (Japan); Nishiate, Hirotaka; Ohta, Michihiro [Research Institute for Energy Conservation, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568 (Japan); Takabatake, Toshiro [Department of Quantum Matter, Graduate School of Advanced Sciences of Matter, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8530 (Japan); Institute for Advanced Materials Research, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8530 (Japan)

    2016-05-07

    The colusite Cu{sub 26}V{sub 2}Sn{sub 6}S{sub 32} has high potential as a thermoelectric material at medium-high temperatures because of a large Seebeck coefficient (S ≃ 220 μV/K) and rather small electrical resistivity (ρ ≃ 100 μΩm) at 660 K. To improve the thermoelectric performance, we have tuned the hole carrier density p by substituting Zn for Cu in Cu{sub 26−x}Zn{sub x}V{sub 2}Sn{sub 6}S{sub 32} (x = 1–3) and starting with Cu and Sn deficient compositions in Cu{sub 26−y}V{sub 2}Sn{sub 6}S{sub 32} (y = 1, 2) and Cu{sub 26}V{sub 2}Sn{sub 6−z}S{sub 32} (z = 0.25–1), respectively. Powder x-ray diffraction and electron-probe microanalysis showed that the Zn-substituted samples and Sn-deficient (z ≥ 0.5) samples are formed in a single phase, whereas the Cu{sub 26−y}V{sub 2}Sn{sub 6}S{sub 32} samples are composed of two phases with slightly different compositions. Within these samples, the value of p at 300 K varies in the range between 3.6 × 10{sup 20} and 2.8 × 10{sup 21 }cm{sup −3}. The relation between p and S led to the effective mass m* of 4–7m{sub 0} for the hole carriers. The large S of the colusite is therefore ascribed to the heavy mass carriers of the valence band top. The decreases in p with x and y reduced the dimensionless thermoelectric figure of merit ZT, whereas the increase in p with z raised ZT from 0.56 (z = 0) to 0.62 (z = 0.5) at 660 K.

  2. Modeling carrier density dependent charge transport in semiconducting carbon nanotube networks

    Science.gov (United States)

    Schießl, Stefan P.; de Vries, Xander; Rother, Marcel; Massé, Andrea; Brohmann, Maximilian; Bobbert, Peter A.; Zaumseil, Jana

    2017-09-01

    Charge transport in a network of only semiconducting single-walled carbon nanotubes is modeled as a random-resistor network of tube-tube junctions. Solving Kirchhoff's current law with a numerical solver and taking into account the one-dimensional density of states of the nanotubes enables the evaluation of carrier density dependent charge transport properties such as network mobility, local power dissipation, and current distribution. The model allows us to simulate and investigate mixed networks that contain semiconducting nanotubes with different diameters, and thus different band gaps and conduction band edge energies. The obtained results are in good agreement with available experimental data.

  3. Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

    DEFF Research Database (Denmark)

    Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

    2016-01-01

    been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new...... approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity...

  4. Ab initio study of polarizability and induced charge densities in multilayer graphene films

    Science.gov (United States)

    Yu, E. K.; Stewart, D. A.; Tiwari, S.

    2008-05-01

    We present an ab initio analysis of polarization of multilayer graphene systems under applied electric fields. The effects of applied electric fields are calculated using a Berry phase approach within a plane-wave density functional formalism. We have determined polarizability values for graphene films and carbon nanotubes and found that the polarizability of graphene films follows a linear relationship with the number of layers. We also examined changes in the induced charge distribution as a function of graphene layers. We focus, in particular, on the bilayer graphene system. Under applied electric fields, we found the Mexican hat band structure near the K point reported by previous groups. We found that the induced charge primarily accumulated on the B sublattice sites. This observation is supported by additional calculations with a tight-binding Green’s function model. By examining the local density of states at the Fermi energy, we found a high density of states at the B sites at the Fermi energy. In contrast, coupling between A sites in neighboring graphene layers leads to negligible density of states at the Fermi level. This high density of states at the B sites results in greater induced charge under applied electric fields. This scenario of preferential induced charge on the B sublattice sites under applied electric fields could impact the stability of atoms and molecules absorbed on bilayer graphene.

  5. Spatially separated charge densities of electrons and holes in organic-inorganic halide perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Li, Dan; Liang, Chunjun, E-mail: chjliang@bjtu.edu.cn, E-mail: zhqhe@bjtu.edu.cn; Zhang, Huimin; You, Fangtian; He, Zhiqun, E-mail: chjliang@bjtu.edu.cn, E-mail: zhqhe@bjtu.edu.cn [Key Laboratory of Luminescence and Optical Information, Ministry of Education, School of Science, Beijing Jiaotong University, Beijing 100044 (China); Zhang, Chunxiu [Information Recording Materials Lab, Beijing Institute of Graphic Communication, Beijing 102600 (China)

    2015-02-21

    Solution-processable methylammonium lead trihalide perovskites exhibit remarkable high-absorption and low-loss properties for solar energy conversion. Calculation from density functional theory indicates the presence of non-equivalent halogen atoms in the unit cell because of the specific orientation of the organic cation. Considering the 〈100〉 orientation as an example, I{sub 1}, one of the halogen atoms, differs from the other iodine atoms (I{sub 2} and I{sub 3}) in terms of its interaction with the organic cation. The valance-band-maximum (VBM) and conduction-band-minimum (CBM) states are derived mainly from 5p orbital of I{sub 1} atom and 6p orbital of Pb atom, respectively. The spatially separated charge densities of the electrons and holes justify the low recombination rate of the pure iodide perovskite. Chlorine substitution further strengthens the unique position of the I{sub 1} atom, leading to more localized charge density around the I{sub 1} atom and less charge density around the other atoms at the VBM state. The less overlap of charge densities between the VBM and CBM states explains the relatively lower carrier recombination rate of the iodine-chlorine mixed perovskite. Chlorine substitution significantly reduces the effective mass at a direction perpendicular to the Pb-Cl bond and organic axis, enhancing the carrier transport property of the mixed perovskite in this direction.

  6. Density decrease in vanadium-base alloys irradiated in the dynamic helium charging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Galvin, T.M.; Smith, D.L. [Argonne National Laboratory, Chicago, IL (United States)

    1996-04-01

    Combined effects of dynamically charged helium and neutron damage on density decrease (swelling) of V-4Cr-4Ti, V-5Ti, V-3Ti-1Si, and V-8Cr-6Ti alloys have been determined after irradiation to 18-31 dpa at 425-600{degrees}C in the Dynamic helium Charging Experiment (DHCE). To ensure better accuracy in density measurement, broken pieces of tensile specimens {approx} 10 times heavier than a transmission electron microscopy (TEM) disk were used. Density increases of the four alloys irradiated in the DHCE were <0.5%. This small change seems to be consistent with the negligible number density of microcavities characterized by TEM. Most of the dynamically produced helium atoms seem to have been trapped in the grain matrix without significant cavity nucleation or growth.

  7. Finite temperature fermion condensate, charge and current densities in a (2+1)-dimensional conical space

    Energy Technology Data Exchange (ETDEWEB)

    Bellucci, S. [INFN, Laboratori Nazionali di Frascati, Frascati (Italy); Bezerra de Mello, E.R. [Universidade Federal da Parai ba, Departamento de Fisica, 58.059-970, Joao Pessoa, PB (Brazil); Braganca, E. [INFN, Laboratori Nazionali di Frascati, Frascati (Italy); Universidade Federal da Parai ba, Departamento de Fisica, 58.059-970, Joao Pessoa, PB (Brazil); Saharian, A.A. [Yerevan State University, Department of Physics, Yerevan (Armenia)

    2016-06-15

    We evaluate the fermion condensate and the expectation values of the charge and current densities for a massive fermionic field in (2+1)-dimensional conical spacetime with a magnetic flux located at the cone apex. The consideration is done for both irreducible representations of the Clifford algebra. The expectation values are decomposed into the vacuum expectation values and contributions coming from particles and antiparticles. All these contributions are periodic functions of the magnetic flux with the period equal to the flux quantum. Related to the non-invariance of the model under the parity and time-reversal transformations, the fermion condensate and the charge density have indefinite parity with respect to the change of the signs of the magnetic flux and chemical potential. The expectation value of the radial current density vanishes. The azimuthal current density is the same for both the irreducible representations of the Clifford algebra. It is an odd function of the magnetic flux and an even function of the chemical potential. The behavior of the expectation values in various asymptotic regions of the parameters are discussed in detail. In particular, we show that for points near the cone apex the vacuum parts dominate. For a massless field with zero chemical potential the fermion condensate and charge density vanish. Simple expressions are derived for the part in the total charge induced by the planar angle deficit and magnetic flux. Combining the results for separate irreducible representations, we also consider the fermion condensate, charge and current densities in parity and time-reversal symmetric models. Possible applications to graphitic nanocones are discussed. (orig.)

  8. Effect of current density on electron beam induced charging in MgO

    Energy Technology Data Exchange (ETDEWEB)

    Boughariou, Aicha [LaMaCoP, Universite de Sfax, Faculte des Sciences, 3038 Sfax (Tunisia)]. E-mail: aicha_boughariou@yahoo.fr; Hachicha, Olfa [LaMaCoP, Universite de Sfax, Faculte des Sciences, 3038 Sfax (Tunisia); Kallel, Ali [LaMaCoP, Universite de Sfax, Faculte des Sciences, 3038 Sfax (Tunisia); Blaise, Guy [LPS, Universite Paris-Sud XI, Batiment 510, Orsay 91405 (France)

    2005-11-15

    It is well known that the presence of space charge in an insulator is correlated with an electric breakdown. Many studies have been carried out on the experimental characterization of space charges. In this paper, we outline the dependence on the current density of the charge-trapping phenomenon in magnesium oxide. Our study was performed with a dedicated scanning electron microscope (SEM) on the electrical property evolution of surface of magnesium oxide (1 0 0) (MgO) single crystal, during a 1.1, 5 and 30 keV electron irradiation. The types of charges trapped on the irradiated areas and the charging kinetics are determined by measuring the total secondary electron emission (SEE) {sigma} during the injection process by means of two complementary detectors. At low energies 1.1 and 5 keV, two different kinds of self-regulated regime ({sigma} = 1) were observed as a function of current density. At 30 keV energy, the electron emission appears to be stimulated by the current density, due to the Poole-Frenkel effect.

  9. Directly mapping the surface charge density of lipid bilayers under physiological conditions

    Science.gov (United States)

    Fuhs, Thomas; Klausen, Lasse Hyldgaard; Besenbacher, Flemming; Dong, Mingdong

    2015-03-01

    The surface charge density of lipid bilayers governs the cellular uptake of charged particles and guides cell-cell and cell-surface interactions. Direct probing of the potential requires sub nanometer distances as the electrostatic potential is screened by high physiological salt concentrations. This prevented direct measurement of the SCD under physiological conditions. In this study we investigate supported bilayers of lipid mixtures that form domains of distinct surface charges, submerged in 150mM NaCl. We use a scanning ion-conductance microscope (SICM) setup to measure the ionic current through a nanopipette as the pipette is scanned several nanometers above the sample. The charged headgroups of the lipids attract counter ions leading to a charge dependent enhancement of the ion concentration near the surface. This creates a measurable change of conductivity in the vicinity of the surface. As the dependency of the current on the SCD and pipette potential is non-trivial we characterized it using numerical solutions to Poisson and Nernst-Planck equations. Based on the simulation results we propose an imaging method. We confirm feasibility of the proposed method by experimentally mapping the local surface charge density of phase separated lipid bilayers.

  10. Waveform measurement of charge- and spin-density wavepackets in a chiral Tomonaga-Luttinger liquid

    Science.gov (United States)

    Hashisaka, M.; Hiyama, N.; Akiho, T.; Muraki, K.; Fujisawa, T.

    2017-06-01

    In contrast to a free-electron system, a Tomonaga-Luttinger (TL) liquid in a one-dimensional (1D) electron system hosts charge and spin excitations as independent entities. When an electron is injected into a TL liquid, it transforms into charge- and spin-density wavepackets that propagate at different group velocities and move away from each other. This process, known as spin-charge separation, is the hallmark of TL physics. While spin-charge separation has been probed in momentum- or frequency-domain measurements in various 1D systems, waveforms of separated excitations, which are a direct manifestation of the TL behaviour, have been long awaited to be measured. Here, we present a waveform measurement for the pseudospin-charge separation process in a chiral TL liquid comprising quantum Hall edge channels. The charge- and pseudospin-density waveforms are captured by utilizing a spin-resolved sampling scope that records the spin-up or -down component of the excitations. This experimental technique provides full information for time evolution of the 1D electron system, including not only propagation of TL eigenmodes but also their decay in a practical device.

  11. Space charge profiles in low density polyethylene samples containing a permittivity/conductivity gradient

    DEFF Research Database (Denmark)

    Bambery, K.R.; Fleming, R.J.; Holbøll, Joachim

    2001-01-01

    Laser induced pressure pulse space charge measurements were made on 1.5 mm thick plaques of high purity low density polyethylene equipped with vacuum-evaporated aluminium electrodes. Temperature differences up to 20 °C were maintained across the samples, which were subjected to dc fields up to 1...

  12. Investigation of space charge in low-density polyethylene using a field probe technique

    DEFF Research Database (Denmark)

    Khalil, M. Salah; Hansen, Bo Svarrer

    1988-01-01

    A test method that uses a capacitive field probe to investigate the space charge distribution in low-density polyethylene (LDPE) is described. Specimens of 7-mm thickness were stressed under 100 kV DC at room temperature and for different time periods. The results indicate that the LDPE insulation...

  13. Electrical transport through constrictions in the charge-density wave conductor NbSe3

    NARCIS (Netherlands)

    O´Neill, K.; Slot, E.; Thorne, R.; Van der Zant, H.

    2005-01-01

    We have investigated the electrical transport properties of insulating and metallic constrictions of dimensions 100nm-10_m in the charge-density wave (CDW) conductor NbSe3. The constrictions are made in a variety of ways: focused ion beam, reactive ion etching through a resist mask, and in a

  14. Pushing X-ray charge densities to the limit: Comparative study of CoSb3

    DEFF Research Database (Denmark)

    Schmøkel, Mette Stokkebro; Larsen, Finn Krebs; Overgaard, Jacob

    ] In order to understand the origin of the thermoelectric properties of this family of materials, it is important to understand the crystal structure and chemical bonding of the un-doped host material.[3] This can be achieved through analysis of the charge density, which in principle can be obtained from...

  15. Charge density of GaxAl1− xSb

    Indian Academy of Sciences (India)

    2015-11-27

    Nov 27, 2015 ... The charge density is computed for a number of planes, i.e. = 0:0, 0.125 and 0.25 0 by generating the potential through a number of potential parameters available in the literature. The virtual crystal approximation was applied for the semiconducting alloy. The characteristics of the band structure and ...

  16. Scanning tunneling microscopy in TTF-TCNQ: Phase and amplitude modulated charge density waves

    DEFF Research Database (Denmark)

    Wang, Z.Z.; Gorard, J.C.; Pasquier, C.

    2003-01-01

    Charge density waves (CDWs) have been studied at the surface of a cleaved tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) single crystal using a low temperature scanning tunneling microscope (STM) under ultrahigh-vacuum conditions, between 300 and 33 K with molecular resolution. All CDW...

  17. Resonant soft x-ray scattering and charge density waves in correlated systems

    NARCIS (Netherlands)

    Rusydi, Andrivo

    2006-01-01

    Summary This work describes results obtained on the study of charge density waves (CDW) in strongly correlated systems with a new experimental method: resonant soft x-ray scattering (RSXS). The basic motivation is the 1986 discovery by Bednorz and Müler of a new type of superconductor, based on Cu

  18. Charge density of GaxAl1−xSb

    Indian Academy of Sciences (India)

    xSb with x = 1.0, 0.5 and 0.0 are presented in this work. The calculations are performed using the empirical pseudopotential method. The charge density is computed for a number of planes, i.e. z = 0.0, 0.125 and 0.25A0 by generating the ...

  19. Determination of surface charge density of α-alumina by Acid

    African Journals Online (AJOL)

    The surface charge density (so) of colloidal alpha alumina suspended in various 1:1 electrolytes was measured using acid-base titration. An autotitrator capable of dispensing accurately 25 ± 0.1 mL of titrant was used. The pH and temperature in the titration cell were monitored using single junction electrodes and platinum ...

  20. Studies of Polyelectrolyte Solutions V. Effects of Counterion Binding by Polyions of Varying Charge Density and Constant Degree of Polymerization

    National Research Council Canada - National Science Library

    Nordmeier, Eckhard

    1994-01-01

    The effect of the charge density on the behaviour of polyelectrolytes in contact with counterions was studied by activity measurements, Donnan dialysis, dye-spectrophotometry, and potentiometric titration...

  1. The influence of oxidation on space charge formation in gamma-irradiated low-density polyethylene

    CERN Document Server

    Chen, G; Xie, H K; Banford, H M; Davies, A E

    2003-01-01

    The research presented in this paper investigates the role of oxidation in the formation of space charge in gamma-irradiated low-density polyethylene after being electrically stressed under dc voltage. Polyethylene plaques both with and without antioxidant were irradiated up to 500 kGy using a sup 6 sup 0 Co gamma source and space charge distributions were measured using the piezoelectric induced pressure wave propagation method. It has been found that a large amount of positive charge evolved adjacent to the cathode in the sample without antioxidant and was clearly associated with oxidation of the surface. The amount of charge formed for a given applied stress increased with the dose absorbed by the material. A model has been proposed to explain the formation of space charge and its profile. The charge decay after the removal of the external applied stress is dominated by a process being controlled by the cathode interfacial stress (charge injection) rather than a conventional RC circuit model. On the other ...

  2. Fermi surface of layered compounds and bulk charge density wave systems

    Energy Technology Data Exchange (ETDEWEB)

    Clerc, F [Institut de Physique, Universite de Neuchatel, CH-2000 Neuchatel (Switzerland); Battaglia, C [Institut de Physique, Universite de Neuchatel, CH-2000 Neuchatel (Switzerland); Cercellier, H [Institut de Physique, Universite de Neuchatel, CH-2000 Neuchatel (Switzerland); Monney, C [Institut de Physique, Universite de Neuchatel, CH-2000 Neuchatel (Switzerland); Berger, H [Institut de Physique de la Matiere Complexe, EPFL, CH-1015 Lausanne (Switzerland); Despont, L [Institut de Physique, Universite de Neuchatel, CH-2000 Neuchatel (Switzerland); Garnier, M G [Institut de Physique, Universite de Neuchatel, CH-2000 Neuchatel (Switzerland); Aebi, P [Institut de Physique, Universite de Neuchatel, CH-2000 Neuchatel (Switzerland)

    2007-09-05

    A review is given of recent angle-resolved photoemission (ARPES) experiments and analyses on a series of layered charge density wave materials. Important aspects of ARPES are recalled in view of its capability for bulk band, Fermi surface and spectral function mapping despite its surface sensitivity. Discussed are TaS{sub 2}, TaSe{sub 2}, NbTe{sub 2}, TiSe{sub 2} and TiTe{sub 2} with structures related to the so-called 1T polytype. Many of them undergo charge density wave transitions or exist with a distorted lattice structure. Attempts to explain the mechanism behind the structural reconstruction are given. Depending on the filling of the lowest occupied band a drastically different behaviour is observed. Whereas density functional calculations of the electronic energy and momentum distribution reproduce well the experimental spectral weight distribution at the Fermi energy, the ARPES energy distribution curves reveal that for some of the compounds the Fermi surface is pseudo-gapped. Two different explanations are given, the first based on density functional calculations accounting for the charge-density-wave-induced lattice distortion and the second relying on many-body physics and polaron formation. Qualitatively, both describe the observations well. However, in the future, in order to be selective, quantitative modelling will be necessary, including the photoemission matrix elements.

  3. On the effect of neglecting anharmonic nuclear motion in charge density studies.

    Science.gov (United States)

    Meindl, Kathrin; Herbst-Irmer, Regine; Henn, Julian

    2010-05-01

    The effect of neglecting anharmonic nuclear motion when it is definitely present is studied. To ensure the presence of anharmonic nuclear motion a model was used that was previously refined against experimental data including anharmonic nuclear motion, and these calculated structure factors were used as observed data for a multipole refinement. It was then studied how the neglect of anharmonic nuclear motion and noise in the data affects the usual crystallographic quality measure R, the density parameters and the residual density distribution. It is demonstrated that the neglect of anharmonic nuclear motion leads to a characteristic imprint onto the residual density distribution in terms of residual density peaks and holes, in terms of the whole residual density distribution and in terms of the number, location and strength of valence shell charge concentrations (VSCCs). These VSCCs differ from that of the input model in a way which heavily influences and misleads the chemical interpretation of the charge density. This imprint vanishes after taking anharmonic nuclear motion into account. Also the input model VSCCs are restored. The importance of modeling anharmonic nuclear motion is furthermore shown by the characteristic imprint on the residual density distribution, even in the case of a numerically almost unaffected R value.

  4. Immobilization of bilirubin oxidase on graphene oxide flakes with different negative charge density for oxygen reduction. The effect of GO charge density on enzyme coverage, electron transfer rate and current density.

    Science.gov (United States)

    Filip, Jaroslav; Andicsová-Eckstein, Anita; Vikartovská, Alica; Tkac, Jan

    2017-03-15

    Previously we showed that an effective bilirubin oxidase (BOD)-based biocathode using graphene oxide (GO) could be prepared in 2 steps: 1. electrostatic adsorption of BOD on GO; 2. electrochemical reduction of the BOD-GO composite to form a BOD-ErGO (electrochemically reduced GO) film on the electrode. In order to identify an optimal charge density of GO for BOD-ErGO composite preparation, several GO fractions differing in an average flake size and ζ-potential were prepared using centrifugation and consequently employed for BOD-ErGO biocathode preparation. A simple way to express surface charge density of these particular GO nanosheets was developed. The values obtained were then correlated with biocatalytic and electrochemical parameters of the prepared biocathodes, i.e. electrocatalytically active BOD surface coverage (Γ), heterogeneous electron transfer rate (kS) and a maximum biocatalytic current density. The highest bioelectrocatalytic current density of (597±25)μAcm(-2) and the highest Γ of (23.6±0.9)pmolcm(-2) were obtained on BOD-GO composite having the same moderate negative charge density, but the highest kS of (79.4±4.6)s(-1) was observed on BOD-GO composite having different negative charge density. This study is a solid foundation for others to consider the influence of a charge density of GO on direct bioelectrochemistry/bioelectrocatalysis of other redox enzymes applicable for construction of biosensors, bioanodes, biocathodes or biofuel cells. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Binding of beta-lactoglobulin to pectins varying in their overall and local charge density.

    Science.gov (United States)

    Sperber, Bram L H M; Stuart, Martien A Cohen; Schols, Henk A; Voragen, Alphons G J; Norde, Willem

    2009-12-14

    The formation of complexes between proteins and polysaccharides is of great importance for many food systems like foams, emulsions, acidified milk drinks, and so on. The complex formation between beta-lactoglobulin (beta-lg) and pectins with a well-defined physicochemical fine structure has been studied to elucidate the influence of overall charge and local charge density of pectin on the complex formation. Binding isotherms of beta-lg to pectin are constructed using fluorescence anisotropy, which is shown to be an excellent technique for this purpose, as it is fast and requires low sample volumes. From the binding isotherms the maximal adsorbed amount, binding constant (k(obs)) and the cooperativity of binding are obtained at different ionic strengths. The Hill model is used to fit the binding isotherms and is shown to be preferable over a Langmuir fit. At pH 4.25, k(obs) shows a maximum at an ionic strength of 10 mM when using a low methyl esterified pectin (LMP) due to the balance of attractive and repulsive electrostatic forces between beta-lg and pectin and beta-lg neighbors. For two high methyl esterified pectins, one with a blockwise distribution of methyl esters (HMP(B)) and one with a random distribution (HMP(R)), this ionic strength maximum is absent and k(obs) decreases with increasing ionic strength. k(obs) is found to be largest for LMP and HMP(B) and considerably lower for HMP(R). A positive cooperativity is observed for both LMP (above an ionic strength of 45 mM) and HMP(R) (above an ionic strength of 15 mM) but not for HMP(B). Positive cooperativity is thought to be caused by a rearrangement of the pectin helix structure caused by binding of beta-lg, thus creating new or binding sites with a higher affinity. To attain strong binding of beta-lg to pectin it is preferable to use a pectin with a blockwise distribution of methyl esters. When complex formation takes place in high ionic strength media an LMP gives the best results, while at low ionic

  6. Investigation of surface charge density on solid-liquid interfaces by modulating the electrical double layer.

    Science.gov (United States)

    Moon, Jong Kyun; Song, Myung Won; Pak, Hyuk Kyu

    2015-05-20

    A solid surface in contact with water or aqueous solution usually carries specific electric charges. These surface charges attract counter ions from the liquid side. Since the geometry of opposite charge distribution parallel to the solid-liquid interface is similar to that of a capacitor, it is called an electrical double layer capacitor (EDLC). Therefore, there is an electrical potential difference across an EDLC in equilibrium. When a liquid bridge is formed between two conducting plates, the system behaves as two serially connected EDLCs. In this work, we propose a new method for investigating the surface charge density on solid-liquid interfaces. By mechanically modulating the electrical double layers and simultaneously applying a dc bias voltage across the plates, an ac electric current can be generated. By measuring the voltage drop across a load resistor as a function of bias voltage, we can study the surface charge density on solid-liquid interfaces. Our experimental results agree very well with the simple equivalent electrical circuit model proposed here. Furthermore, using this method, one can determine the polarity of the adsorbed state on the solid surface depending on the material used. We expect this method to aid in the study of electrical phenomena on solid-liquid interfaces.

  7. Stability of charged density waves in InAs nanowires in an external magnetic field.

    Science.gov (United States)

    Zhukov, A A; Volk, Ch; Winden, A; Hardtdegen, H; Schäpers, Th

    2017-11-02

    We report on magnetotransport measurements at [Formula: see text] K in a high-quality InAs nanowire ([Formula: see text] kΩ) in the presence of the charged tip of an atomic force microscope serving as a mobile gate. We demonstrate the crucial role of the external magnetic field on the amplitude of the charge density waves with a wavelength of 0.8 μm. The observed suppression rate of their amplitude is similar or slightly higher than the one for weak localization correction in our investigated InAs nanowire.

  8. Standard hydrogen electrode and potential of zero charge in density functional calculations

    DEFF Research Database (Denmark)

    Tripkovic, Vladimir; Björketun, Mårten; Skúlason, Egill

    2011-01-01

    Methods to explicitly account for half-cell electrode potentials have recently appeared within the framework of density functional theory. The potential of the electrode relative to the standard hydrogen electrode is typically determined by subtracting the experimental value of the absolute...... functional setups. By analyzing a dozen different water structures, built up from water hexamers, in their uncharged [potential of zero charge (PZC)] states on Pt(111), we then determine three different criteria (no net dipole, no charge transfer, and high water flexibility) that a water structure should...

  9. Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

    Science.gov (United States)

    Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; Mundy, Chistopher J.

    2017-10-01

    Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. Here, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.

  10. Charge Density Analysis and Transport Properties of TTF Based Molecular Nanowires: A DFT Approach

    Directory of Open Access Journals (Sweden)

    Karuppannan Selvaraju

    2015-01-01

    Full Text Available The present study has been performed to understand the charge density distribution and the electrical characteristics of Au and thiol substituted tetrathiafulvalene (TTF based molecular nanowire. A quantum chemical calculation has been carried out using DFT method (B3LYP with the LANL2DZ basis set under various applied electric fields (EFs. The bond topological analysis characterizes the terminal Au–S and S–C bonds as well as all the bonds of central TTF unit of the molecule. The variation of electron density and Laplacian of electron density at the bond critical point of bonds for zero and different applied fields reveal the electron density distribution of the molecule. The molecular conformation, the variation of atomic charges and energy density distribution of the molecule have been analyzed for the various levels of applied EFs. The HOMO-LUMO gap calculated from quantum chemical calculations has been compared with the value calculated from the density of states. The variation of dipole moment due to the polarization effect and the I-V characteristics of the molecule for the various applied EFs have been well discussed.

  11. Volume Control of Metal-Plating Deposition Using a Nanopipette Probe by Controlling Electric Charge

    Science.gov (United States)

    Ito, So; Keino, Takuya; Iwata, Futoshi

    2010-08-01

    We describe a novel volume control technique for local metal-plating deposition using a scanning probe microscope with a nanopipette probe. The nanopipette probe, a thermally pulled capillary glass tube, was filled with CuSO4 electrolyte solution. A Cu dot was electrochemically deposited on an Au surface when the nanopipette probe was nearly in contact with the surface by applying a dc bias voltage between the electrolyte solution and the surface. The volume of the deposited Cu dot was dependent on the electric charge during the electrochemical reaction. By controlling the electric charge during the deposition, it was possible to control the volume of the Cu dot. This technique of local metal plating with deposition volume control is applicable for the fabrication of various nanometer-scale structures in fields such as nanomechanics and nanoelectronics.

  12. Influence of the overall charge and local charge density of pectin on the complex formation between pectin and beta-lactoglobulin

    NARCIS (Netherlands)

    Sperber, Bram L. H. M.; Schols, Henk A.; Stuart, Martien A. Cohen; Norde, Willem; Voragen, Alphons G. J.

    The complex formation between beta-lactoglobulin (beta-lg) and pectin is studied using pectins with different physicochemical characteristics. Pectin allows for the control of both the overall charge by degree of methyl-esterification as well as local charge density by the degree of blockiness.

  13. Approximation of charge-deposition density in thin slabs irradiated by electrons

    CERN Document Server

    Alouani-Bibi, F; Rogov, Y V; Tabata, T

    2000-01-01

    Charge-deposition distributions in thin slabs irradiated by plane-parallel electron beams are studied. The slabs considered are made of elements with atomic numbers ranging from 4 to 79. The slab thicknesses are from 0.5 to 50 mg/cm sup 2 , and the electron beam energies are from 1 to 10 MeV. Using a new Monte Carlo method (called the trajectory translation method), data on the charge-deposition density have been obtained. Theoretical analysis of these data has been performed. Based on this analysis, a semiempirical model that describes charge-deposition distributions in thin slabs has been developed. The results obtained by the semiempirical model have been compared with those obtained by the PENELOPE Monte Carlo code and show moderate agreement.

  14. Determination of charge carrier mobility in doped low density polyethylene using DC transients

    DEFF Research Database (Denmark)

    Khalil, M.Salah; Henk, Peter O; Henriksen, Mogens

    1989-01-01

    Charge carrier mobility was determined for plain and doped low-density polyethylene (LDPE) using DC transient currents. Barium titanate was used as a strongly polar dopant and titanium dioxide as a semiconductor dopant. The values of the mobility obtained were on the order of 10-10 cm2 v-1 s-1....... Results indicate that the inclusion of 1% by weight of BaTiO3 and TiO2 has a considerable effect on the conduction properties of the polymer. BaTiO3 increased the charge carrier mobility by a factor of three and also increased the conductivity of the polymer. TiO2 increased the charge carrier mobility...

  15. Energy and centrality dependences of charged multiplicity density in relativistic nuclear collisions

    CERN Document Server

    Sá Ben-Hao; Tai, A; Zhou Dai Mei; Sa, Ben-Hao; Tai, An; Zhou, Dai-Mei

    2001-01-01

    Using a hadron and string cascade model, JPCIAE, the energy and centrality dependences of charged particle pseudorapidity density in relativistic nuclear collisions were studied. Within the framework of this model, both the relativistic $p+\\bar p$ experimental data and the PHOBOS and PHENIX $Au+Au$ data at $\\sqrt s_{nn}$=130 GeV could be reproduced fairly well without retuning the model parameters. The predictions for full RHIC energy $Au+Au$ collisions and for $Pb+Pb$ collisions at the ALICE energy were given. Participant nucleon distributions were calculated based on different methods. It was found that the number of participant nucleons, $$, is not a well defined variable both experimentally and theoretically. Therefore, it is inappropriate to use charged particle pseudorapidity density per participant pair as a function of $$ for distinguishing various theoretical models.

  16. Magnetism and charge density waves in R NiC2 (R =Ce,Pr,Nd )

    Science.gov (United States)

    Kolincio, Kamil K.; Roman, Marta; Winiarski, Michał J.; Strychalska-Nowak, Judyta; Klimczuk, Tomasz

    2017-06-01

    We have compared the magnetic, transport, galvanomagnetic, and specific-heat properties of CeNiC2, PrNiC2, and NdNiC2 to study the interplay between charge density waves (CDW) and magnetism in these compounds. The negative magnetoresistance in NdNiC2 is discussed in terms of the partial destruction of charge density waves and an irreversible phase transition stabilized by the field-induced ferromagnetic transformation is reported. For PrNiC2 we demonstrate that the magnetic field initially weakens the CDW state, due to the Zeeman splitting of conduction bands. However, the Fermi surface nesting is enhanced at a temperature related to the magnetic anomaly.

  17. Charge density waves in the graphene sheets of the superconductor CaC(6).

    Science.gov (United States)

    Rahnejat, K C; Howard, C A; Shuttleworth, N E; Schofield, S R; Iwaya, K; Hirjibehedin, C F; Renner, Ch; Aeppli, G; Ellerby, M

    2011-11-29

    Graphitic systems have an electronic structure that can be readily manipulated through electrostatic or chemical doping, resulting in a rich variety of electronic ground states. Here we report the first observation and characterization of electronic stripes in the highly electron-doped graphitic superconductor, CaC(6), by scanning tunnelling microscopy and spectroscopy. The stripes correspond to a charge density wave with a period three times that of the Ca superlattice. Although the positions of the Ca intercalants are modulated, no displacements of the carbon lattice are detected, indicating that the graphene sheets host the ideal charge density wave. This provides an exceptionally simple material-graphene-as a starting point for understanding the relation between stripes and superconductivity. Furthermore, our experiments suggest a strategy to search for superconductivity in graphene, namely in the vicinity of striped 'Wigner crystal' phases, where some of the electrons crystallize to form a superlattice.

  18. Flocculation of Clay Colloids Induced by Model Polyelectrolytes: Effects of Relative Charge Density and Size.

    Science.gov (United States)

    Sakhawoth, Yasine; Michot, Laurent J; Levitz, Pierre; Malikova, Natalie

    2017-10-06

    Flocculation and its tuning are of utmost importance in the optimization of several industrial protocols in areas such as purification of waste water and civil engineering. Herein, we studied the polyelectrolyte-induced flocculation of clay colloids on a model system consisting of purified clay colloids of well-defined size fractions and ionene polyelectrolytes presenting regular and tunable chain charge density. To characterize ionene-induced clay flocculation, we turned to the combination of light absorbance (turbidity) and ζ-potential measurements, as well as adsorption isotherms. Our model system allowed us to identify the exact ratio of positive and negative charges in clay-ionene mixtures, the (c+/c-) ratio. For all samples studied, the onset of efficient flocculation occurred consistently at c+/c- ratios significantly below 1, which indicated the formation of highly ionene-deficient aggregates. At the same time, the ζ-potential measurements indicated an apparent zero charge on such aggregates. Thus, the ζ-potential values could not provide the stoichiometry inside the clay-ionene aggregates. The early onset of flocculation in clay-ionene mixtures is reminiscent of the behavior of multivalent salts and contrasts that of monovalent salts, for which a large excess amount of ions is necessary to achieve flocculation. Clear differences in the flocculation behavior are visible as a function of the ionene charge density, which governs the conformation of the ionene chains on the clay surface. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Current densities due to electron-hole puddles in graphene flakes at the charge neutrality point

    Science.gov (United States)

    Lima, Leandro; Lewenkopf, Caio

    2014-03-01

    Graphene flakes show a typical conductivity minimum of about e2 / h , almost independent of sample mobility, at the charge neutrality point. This is at odds with the notion that as the mobility increases, and graphene becomes more ballistic, its density of states (DOS) and conductivity at the charge neutrality point should vanish. The observed conductivity minimum is often attributed to the presence of electron-hole charge puddles, that give rise to an effective local-dependent chemical potential. In this way, the local chemical potential fluctuates creating p and n-doped regions and the electronic transport is facilitated by Klein tunneling through the p and n-doped domains. Although very attractive, there is little quantitative support for this this picture. We revisit this problem and analyze the transport properties using a self-consistent recursive Green's functions technique with spin resolution that includes the electronic interaction modeled by a mean field Hubbard term. We calculate electronic current densities between neighboring carbon sites near the p-n interface and relate the electronic propagation to the puddles charge, size and shapes.

  20. Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions.

    Science.gov (United States)

    Oberhofer, Harald; Blumberger, Jochen

    2009-08-14

    We present a plane-wave basis set implementation of charge constrained density functional molecular dynamics (CDFT-MD) for simulation of electron transfer reactions in condensed phase systems. Following the earlier work of Wu and Van Voorhis [Phys. Rev. A 72, 024502 (2005)], the density functional is minimized under the constraint that the charge difference between donor and acceptor is equal to a given value. The classical ion dynamics is propagated on the Born-Oppenheimer surface of the charge constrained state. We investigate the dependence of the constrained energy and of the energy gap on the definition of the charge and present expressions for the constraint forces. The method is applied to the Ru2+-Ru3+ electron self-exchange reaction in aqueous solution. Sampling the vertical energy gap along CDFT-MD trajectories and correcting for finite size effects, a reorganization free energy of 1.6 eV is obtained. This is 0.1-0.2 eV lower than a previous estimate based on a continuum model for solvation. The smaller value for the reorganization free energy can be explained by the fact that the Ru-O distances of the divalent and trivalent Ru hexahydrates are predicted to be more similar in the electron transfer complex than for the separated aqua ions.

  1. Field-induced dynamic diamagnetism in a charge-density-wave system.

    Science.gov (United States)

    Harrison, N; Mielke, C H; Christianson, A D; Brooks, J S; Tokumoto, M

    2001-02-19

    ac susceptibility measurements of the charge-density-wave (CDW) compound alpha-(BEDT-TTF)(2)-KHg(SCN)(4) at magnetic fields, mu0H >23 T, above its Pauli paramagnetic limit, reveal unambiguously that the magnetic hysteresis observed previously within this CDW phase is diamagnetic and can only be explained by induced currents. It is argued that the ensemble of experimental techniques amounts to a strong case for dissipationless conductivity within this phase.

  2. Novel charge density wave transition in crystals of R5Ir4Si10

    Indian Academy of Sciences (India)

    Abstract. We review the observation of novel charge density wave (CDW) transitions in ternary. R5Ir4Si10 compounds. A high quality single crystal of Lu5Ir4Si10 shows the formation of a commen- surate CDW along c-axis below 80 K in the (h, 0, l) plane that coexists with BCS type supercon- ductivity below 3.9 K. However, ...

  3. Electronic properties and charge density of BexZn1−xTe alloys

    Indian Academy of Sciences (India)

    Mater. Sci., Vol. 34, No. 3, June 2011, pp. 499–506. c Indian Academy of Sciences. Electronic properties and charge density of BexZn1−xTe alloys. C B SWARNKAR†, U PALIWAL, N N PATEL‡ and K B JOSHI. ∗. Department of Physics, M.L. Sukhadia University, Udaipur 313 001, India. †Department of Physics, S.G.G. Govt.

  4. Tuning the charge density wave and superconductivity in CuxTaS2

    NARCIS (Netherlands)

    Wagner, K.E.; Morosan, E.; Hor, Y.S.; Tao, J.; Zhu, Y.; Sanders, T.; McQueen, T.M.; Zandbergen, H.W.; Williams, A.J.; West, D.V.; Cava, R.J.

    2008-01-01

    We report the characterization of layered 2H-type CuxTaS2 for 0?x?0.12. The charge density wave (CDW), at 70 K for TaS2, is destabilized with Cu doping. The sub-1 K superconducting transition in undoped 2H-TaS2 jumps quickly to 2.5 K at low x, increases to 4.5 K at the optimal composition

  5. Sequential tentacle grafting and charge modification for enhancing charge density of mono-sized beads for facilitated protein refolding and purification from inclusion bodies.

    Science.gov (United States)

    Dong, Xiao-Yan; Chen, Ran; Yang, Chun-Yan; Sun, Yan

    2014-06-20

    We have previously found that addition of like-charged media in a refolding solution can greatly enhance the refolding of pure proteins by suppressing protein aggregation. Herein, negatively charged mono-sized microspheres with sulfonic groups were fabricated to explore the facilitating effect of like-charged media on the refolding of enhanced green fluorescent protein (EGFP) expressed as inclusion bodies (IBs). A sequential polymer-tentacle grafting and sulfonate modification strategy was developed to increase the charge density of mono-sized poly(glycidyl methacrylate) (pGMA) beads (2.4μm). Namely, GMA was first grafted onto the beads by grafting polymerization to form poly(GMA) tentacles on the pGMA beads, and then the epoxy groups on the tentacles were converted into sulfonic groups by modification with sodium sulfite. By this fabrication strategy, the charge density of the beads reached 793μmol/g, about 2.8 times higher than that modified without prior grafting of the pGMA beads (285μmol/g). The negatively charged beads of different charge densities were used for facilitating the refolding of like-charged EGFP from IBs. The refolding yield as well as refolding rate increased with increasing charge density. The anti-aggregation effects of urea and like-charged microspheres were synergetic. In addition, partial purification of EGFP was achieved because the ion-exchange adsorption led to 52% removal of positively charged contaminant proteins in the refolded solution. Finally, reusability of the tentacle beads was demonstrated by repetitive EGFP refolding and recovery cycles. Copyright © 2014 Elsevier B.V. All rights reserved.

  6. Time-domain pumping a quantum-critical charge density wave ordered material

    Science.gov (United States)

    Matveev, O. P.; Shvaika, A. M.; Devereaux, T. P.; Freericks, J. K.

    2016-09-01

    We determine the exact time-resolved photoemission spectroscopy for a nesting driven charge density wave (described by the spinless Falicov-Kimball model within dynamical mean-field theory). The pump-probe experiment involves two light pulses: the first is an ultrashort intense pump pulse that excites the system into nonequilibrium, and the second is a lower amplitude, higher frequency probe pulse that photoexcites electrons. We examine three different cases: the strongly correlated metal, the quantum-critical charge density wave, and the critical Mott insulator. Our results show that the quantum critical charge density wave has an ultraefficient relaxation channel that allows electrons to be de-excited during the pump pulse, resulting in little net excitation. In contrast, the metal and the Mott insulator show excitations that are closer to what one expects from these systems. In addition, the pump field produces spectral band narrowing, peak sharpening, and a spectral gap reduction, all of which rapidly return to their field free values after the pump is over.

  7. Metallicity at interphase boundaries due to polar catastrophe induced by charge density discontinuity

    KAUST Repository

    Albar, Arwa

    2018-02-09

    The electronic properties of interphase boundaries are of basic importance for most materials, particularly when those properties deviate strongly from the bulk behavior. We introduce a mechanism that can result in metallicity at stoichiometric interphase boundaries between semiconductors based on the idea of polar catastrophe, which is usually considered only in the context of heterostructures. To this end, we perform ab initio calculations within density functional theory to investigate the electronic states at stoichiometric SnO/SnO2 (110) interphase boundaries. In this system, one would not expect polar catastrophe to have a role according to state-of-the-art theory because the interface lacks formal charge discontinuity. However, we observe the formation of a hole gas between the semiconductors SnO and SnO2. To explain these findings, we provide a generalized theory based on the idea that the charge density discontinuity between SnO and SnO2, a consequence of lattice mismatch, drives a polar catastrophe scenario. As a result, SnO/SnO2 (110) interphase boundaries can develop metallicity depending on the grain size. The concept of metallicity due to polar catastrophe induced by charge density discontinuity is of general validity and applies to many interphase boundaries with lattice mismatch.

  8. Dimensional Crossover of Charge-Density Wave Correlations in the Cuprates

    Science.gov (United States)

    Caplan, Yosef; Orgad, Dror

    2017-09-01

    Short-range charge-density wave correlations are ubiquitous in underdoped cuprates. They are largely confined to the copper-oxygen planes and typically oscillate out of phase from one unit cell to the next in the c direction. Recently, it was found that a considerably longer-range charge-density wave order develops in YBa2 Cu3 O6 +x above a sharply defined crossover magnetic field. This order is more three-dimensional and is in-phase along the c axis. Here, we show that such behavior is a consequence of the conflicting ordering tendencies induced by the disorder potential and the Coulomb interaction, where the magnetic field acts to tip the scales from the former to the latter. We base our conclusion on analytic large-N analysis and Monte Carlo simulations of a nonlinear sigma model of competing superconducting and charge-density wave orders. Our results are in agreement with the observed phenomenology in the cuprates, and we discuss their implications to other members of this family, which have not been measured yet at high magnetic fields.

  9. Superconductivity, charge-density waves, antiferromagnetism, and phase separation in the Hubbard-Holstein model

    Science.gov (United States)

    Karakuzu, Seher; Tocchio, Luca F.; Sorella, Sandro; Becca, Federico

    2017-11-01

    By using variational wave functions and quantum Monte Carlo techniques, we investigate the interplay between electron-electron and electron-phonon interactions in the two-dimensional Hubbard-Holstein model. Here, the ground-state phase diagram is triggered by several energy scales, i.e., the electron hopping t , the on-site electron-electron interaction U , the phonon energy ω0, and the electron-phonon coupling g . At half filling, the ground state is an antiferromagnetic insulator for U ≳2 g2/ω0 , while it is a charge-density-wave (or bipolaronic) insulator for U ≲2 g2/ω0 . In addition to these phases, we find a superconducting phase that intrudes between them. For ω0/t =1 , superconductivity emerges when both U /t and 2 g2/t ω0 are small; then, by increasing the value of the phonon energy ω0, it extends along the transition line between antiferromagnetic and charge-density-wave insulators. Away from half filling, phase separation occurs when doping the charge-density-wave insulator, while a uniform (superconducting) ground state is found when doping the superconducting phase. In the analysis of finite-size effects, it is extremely important to average over twisted boundary conditions, especially in the weak-coupling limit and in the doped case.

  10. New bounds for the atomic charge and momentum densities at the origin

    Energy Technology Data Exchange (ETDEWEB)

    Angulo, J.C.; Dehesa, J.S.; Galvez, F.J. (Granada Univ. (Spain). Dept. de Fisica Moderna)

    1991-02-01

    The 'Stieltjes moment problem' technique together with the positivity and monotonic decreasing properties of the electronic density of an atom is used to find new and more accurate lower bounds for the charge density at the nucleus and the momentum density at the origin, in terms of radial and momentum expectation values, respectively. Bounds depending on two and three expectation values are given explicitly and a Hartree-Fock study of their quality is carried out. Also, the behavior of the new bounds at large Z's is discussed. The Stieltjes technique allows to find lower bounds of better accuracy by including expectation values of higher order. (orig.).

  11. Dimensional crossover of the charge density wave transition in thin exfoliated VSe2

    Science.gov (United States)

    Pásztor, Árpád; Scarfato, Alessandro; Barreteau, Céline; Giannini, Enrico; Renner, Christoph

    2017-12-01

    Isolating single unit-cell thin layers from the bulk matrix of layered compounds offers tremendous opportunities to design novel functional electronic materials. However, a comprehensive thickness dependence study is paramount to harness the electronic properties of such atomic foils and their stacking into synthetic heterostructures. Here we show that a dimensional crossover and quantum confinement with reducing thickness result in a striking non-monotonic evolution of the charge density wave transition temperature in VSe2. Our conclusion is drawn from a direct derivation of the local order parameter and transition temperature from the real space charge modulation amplitude imaged by scanning tunnelling microscopy. This study lifts the disagreement of previous independent transport measurements. We find that thickness can be a non-trivial tuning parameter and demonstrate the importance of considering a finite thickness range to accurately characterize its influence.

  12. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

    Science.gov (United States)

    Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

    2015-08-11

    The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

  13. New density estimation methods for charged particle beams with applications to microbunching instability

    Directory of Open Access Journals (Sweden)

    Balša Terzić

    2011-07-01

    Full Text Available In this paper we discuss representations of charge particle densities in particle-in-cell simulations, analyze the sources and profiles of the intrinsic numerical noise, and present efficient methods for their removal. We devise two alternative estimation methods for charged particle distribution which represent significant improvement over the Monte Carlo cosine expansion used in the 2D code of Bassi et al. [G. Bassi, J. A. Ellison, K. Heinemann, and R. Warnock, Phys. Rev. ST Accel. Beams 12, 080704 (2009; PRABFM1098-440210.1103/PhysRevSTAB.12.080704G. Bassi and B. Terzić, in Proceedings of the 23rd Particle Accelerator Conference, Vancouver, Canada, 2009 (IEEE, Piscataway, NJ, 2009, TH5PFP043], designed to simulate coherent synchrotron radiation (CSR in charged particle beams. The improvement is achieved by employing an alternative beam density estimation to the Monte Carlo cosine expansion. The representation is first binned onto a finite grid, after which two grid-based methods are employed to approximate particle distributions: (i truncated fast cosine transform; and (ii thresholded wavelet transform (TWT. We demonstrate that these alternative methods represent a staggering upgrade over the original Monte Carlo cosine expansion in terms of efficiency, while the TWT approximation also provides an appreciable improvement in accuracy. The improvement in accuracy comes from a judicious removal of the numerical noise enabled by the wavelet formulation. The TWT method is then integrated into the CSR code [G. Bassi, J. A. Ellison, K. Heinemann, and R. Warnock, Phys. Rev. ST Accel. Beams 12, 080704 (2009PRABFM1098-440210.1103/PhysRevSTAB.12.080704], and benchmarked against the original version. We show that the new density estimation method provides a superior performance in terms of efficiency and spatial resolution, thus enabling high-fidelity simulations of CSR effects, including microbunching instability.

  14. Origin of the charge density wave in 1T-TiSe2

    KAUST Repository

    Zhu, Zhiyong

    2012-06-27

    All-electron ab initio calculations are used to study the microscopic origin of the charge density wave (CDW) in 1T-TiSe2. A purely electronic picture is ruled out as a possible scenario, indicating that the CDW transition in the present system is merely a structural phase transition. The CDW instability is the result of a symmetry lowering by electron correlations occurring with electron localization. Suppression of the CDW in pressurized and in Cu-intercalated 1T-TiSe2 is explained by a delocalization of the electrons, which weakens the correlations and counteracts the symmetry lowering.

  15. Pressure dependence of the charge-density-wave gap in rare-earth tritellurides.

    Science.gov (United States)

    Sacchetti, A; Arcangeletti, E; Perucchi, A; Baldassarre, L; Postorino, P; Lupi, S; Ru, N; Fisher, I R; Degiorgi, L

    2007-01-12

    We investigate the pressure dependence of the optical properties of CeTe3, which exhibits an incommensurate charge-density-wave (CDW) state already at 300 K. Our data are collected in the midinfrared spectral range at room temperature and at pressures between 0 and 9 GPa. The energy for the single particle excitation across the CDW gap decreases upon increasing the applied pressure, similarly to the chemical pressure by rare-earth substitution. The broadening of the bands upon lattice compression removes the perfect nesting condition of the Fermi surface and therefore diminishes the impact of the CDW transition on the electronic properties of RTe3.

  16. Optical properties of the Ce and La ditelluride charge density wave compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lavagnini, M.; Sacchetti, A.; Degiorgi, L.; /Zurich, ETH; Shin, K.Y.; Fisher, I.R.; /Stanford U., Geballe Lab. /Stanford U., Appl. Phys. Dept.

    2010-02-15

    The La and Ce di-tellurides LaTe{sub 2} and CeTe{sub 2} are deep in the charge-density-wave (CDW) ground state even at 300 K. We have collected their electrodynamic response over a broad spectral range from the far infrared up to the ultraviolet. We establish the energy scale of the single particle excitation across the CDW gap. Moreover, we find that the CDW collective state gaps a very large portion of the Fermi surface. Similarly to the related rare earth tri-tellurides, we envisage that interactions and Umklapp processes play a role in the onset of the CDW broken symmetry ground state.

  17. Pressure Dependence of the Charge-Density-Wave Gap in Rare-Earth Tri-Tellurides

    Energy Technology Data Exchange (ETDEWEB)

    Sacchetti, A.; /Zurich, ETH; Arcangeletti, E.; Perucchi, A.; Baldassarre, L.; Postorino, P.; Lupi, S.; /Rome U.; Ru, N.; Fisher, I.R.; /Stanford U., Geballe Lab.; Degiorgi, L.; /Zurich, ETH

    2009-12-14

    We investigate the pressure dependence of the optical properties of CeTe{sub 3}, which exhibits an incommensurate charge-density-wave (CDW) state already at 300 K. Our data are collected in the mid-infrared spectral range at room temperature and at pressures between 0 and 9 GPa. The energy for the single particle excitation across the CDW gap decreases upon increasing the applied pressure, similarly to the chemical pressure by rare-earth substitution. The broadening of the bands upon lattice compression removes the perfect nesting condition of the Fermi surface and therefore diminishes the impact of the CDW transition on the electronic properties of RTe{sub 3}.

  18. Incommensurate Spin-Density Modulation in a Copper Oxide Chain Compound with Commensurate Charge Order

    Science.gov (United States)

    Raichle, M.; Reehuis, M.; André, G.; Capogna, L.; Sofin, M.; Jansen, M.; Keimer, B.

    2008-07-01

    Neutron diffraction has been used to determine the magnetic structure of Na8Cu5O10, a stoichiometric compound containing chains based on edge-sharing CuO4 plaquettes. The chains are doped with 2/5 hole per Cu site and exhibit long-range commensurate charge order with an onset well above room temperature. Below TN=23K, the neutron data indicate long-range collinear magnetic order with a spin-density modulation whose propagation vector is commensurate along, and incommensurate perpendicular to, the chains. Competing interchain exchange interactions are discussed as a possible origin of the incommensurate magnetic order.

  19. Superconductor (Nb)-charge density wave (NbSe sub 3) point-contact spectroscopy

    CERN Document Server

    Sinchenko, A A

    2003-01-01

    Measurements of differential current-voltage (I-V) characteristics of point contacts between Nb and the charge density wave (CDW) conductor NbSe sub 3 formed along the conducting chain direction are reported. Below the superconducting transition of Nb, we have clearly observed Andreev reflection of the gapless electrons of NbSe sub 3. Analysis of the spectra obtained indicates that when the energy of injected particles exceeds the superconducting energy gap, the superconductivity near the S-CDW interface is suppressed because of non-equilibrium effects.

  20. Improved lower bounds for the atomic charge density at the nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Galvez, F.J.; Porras, I.; Angulo, J.C.; Dehesa, J.S.

    1988-06-14

    Lower bounds F(..cap alpha.., ..beta..) for the electronic charge density of atomic systems with N electrons at the nucleus, p (O), are given by means of any two radial expectation values and , for real ..cap alpha.. not ..beta.., in a rigorous and simple way. In particular, p (O) greater than or equal to (N/8 ..pi..)/sup 2// which improves bounds found previously. An interesting property of these bounds is that they are equal to the exact value p(O) in the limit ..beta.. -> -3 for any fixed ..cap alpha.. value.

  1. Optical and electrochemical methods for determining the effective area and charge density of conducting polymer modified electrodes for neural stimulation.

    Science.gov (United States)

    Harris, Alexander R; Molino, Paul J; Kapsa, Robert M I; Clark, Graeme M; Paolini, Antonio G; Wallace, Gordon G

    2015-01-06

    Neural stimulation is used in the cochlear implant, bionic eye, and deep brain stimulation, which involves implantation of an array of electrodes into a patient's brain. The current passed through the electrodes is used to provide sensory queues or reduce symptoms associated with movement disorders and increasingly for psychological and pain therapies. Poor control of electrode properties can lead to suboptimal performance; however, there are currently no standard methods to assess them, including the electrode area and charge density. Here we demonstrate optical and electrochemical methods for measuring these electrode properties and show the charge density is dependent on electrode geometry. This technique highlights that materials can have widely different charge densities but also large variation in performance. Measurement of charge density from an electroactive area may result in new materials and electrode geometries that improve patient outcomes and reduce side effects.

  2. Polysaccharide charge density regulating protein adsorption to air/water interfaces by protein/polysaccharide complex formation

    NARCIS (Netherlands)

    Ganzevles, R.A.; Kosters, H.; Vliet, T. van; Stuart, M.A.C.; Jongh, H.H.J. de

    2007-01-01

    Because the formation of protein/polysaccharide complexes is dominated by electrostatic interaction, polysaccharide charge density is expected to play a major role in the adsorption behavior of the complexes. In this study, pullulan (a non-charged polysaccharide) carboxylated to four different

  3. Dimensional Crossover in a Charge Density Wave Material Probed by Angle-Resolved Photoemission Spectroscopy.

    Science.gov (United States)

    Nicholson, C W; Berthod, C; Puppin, M; Berger, H; Wolf, M; Hoesch, M; Monney, C

    2017-05-19

    High-resolution angle-resolved photoemission spectroscopy data reveal evidence of a crossover from one-dimensional (1D) to three-dimensional (3D) behavior in the prototypical charge density wave (CDW) material NbSe_{3}. In the low-temperature 3D regime, gaps in the electronic structure are observed due to two incommensurate CDWs, in agreement with x-ray diffraction and electronic-structure calculations. At higher temperatures we observe a spectral weight depletion that approaches the power-law behavior expected in one dimension. From the warping of the quasi-1D Fermi surface at low temperatures, we extract the energy scale of the dimensional crossover. This is corroborated by a detailed analysis of the density of states, which reveals a change in dimensional behavior dependent on binding energy. Our results offer an important insight into the dimensionality of excitations in quasi-1D materials.

  4. Charged hadrons in local finite-volume QED+QCD with C* boundary conditions

    CERN Document Server

    Lucini, Biagio; Ramos, Alberto; Tantalo, Nazario

    2016-01-01

    In order to calculate QED corrections to hadronic physical quantities by means of lattice simulations, a coherent description of electrically-charged states in finite volume is needed. In the usual periodic setup, Gauss's law and large gauge transformations forbid the propagation of electrically-charged states. A possible solution to this problem, which does not violate the axioms of local quantum field theory, has been proposed by Wiese and Polley, and is based on the use of C* boundary conditions. We present a thorough analysis of the properties and symmetries of QED in isolation and QED coupled to QCD, with C* boundary conditions. In particular we learn that a certain class of electrically-charged states can be constructed in this setup in a fully consistent fashion, without relying on gauge fixing. We argue that this class of states covers most of the interesting phenomenological applications in the framework of numerical simulations. We also calculate finite-volume corrections to the mass of stable charg...

  5. Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

    KAUST Repository

    Van Regemorter, Tanguy

    2012-09-15

    In the field of organic electronics, a central issue is to assess how the frontier electronic levels of two adjacent organic layers align with respect to one another at the interface. This alignment can be driven by the presence of a partial charge transfer and the formation of an interface dipole; it plays a key role for instance in determining the rates of exciton dissociation or exciton formation in organic solar cells or light-emitting diodes, respectively. Reliably modeling the processes taking place at these interfaces remains a challenge for the computational chemistry community. Here, we review our recent theoretical work on the influence of the choice of density functional theory (DFT) methodology on the description of the charge-transfer character in the ground state of TTF/ TCNQ model complexes and interfaces. Starting with the electronic properties of the isolated TTF and TCNQ molecules and then considering the charge transfer and resulting interface dipole in TTF/TCNQ donor-acceptor stacks and bilayers, we examine the impact of the choice of DFT functional in describing the interfacial electronic structure. Finally, we employ computations based on periodic boundary conditions to highlight the impact of depolarization effects on the interfacial dipole moment. © Springer-Verlag 2012.

  6. Charge density and optical properties of multicomponent crystals containing active pharmaceutical ingredients or their analogues.

    Science.gov (United States)

    Gryl, Marlena

    2015-08-01

    Active pharmaceutical ingredients (APIs), through their favourable donor/acceptor spatial distribution and synthon formation flexibility, are attractive building blocks in modern materials crystallography. The optical properties of a crystal strongly depend on two factors, i.e. the spatial distribution of molecules in the crystal structure and the electronic properties of molecular building blocks (dipole moments, polarizabilities, hyperpolarizabilities). Although the latter are easy to predict through ab initio calculations, the former are not. Only a combination of experimental and theoretical charge density studies together with prediction and measurement of optical properties enable full analysis of the obtained functional material in terms of its usefulness in practical applications. This article presents design strategies of optical materials based on selected pharmaceutical molecules. Factors that contribute to molecular recognition in the four selected polar/chiral crystal phases (derived through charge density and Hirshfeld surfaces analysis) have been determined. Theoretically predicted optical properties of the molecular/ionic building blocks as well as bulk effects have been confirmed experimentally. This research is a first step in the design of novel optical materials based on push-pull molecules and APIs.

  7. Assessment of antibacterial properties of polyvinylamine (PVAm) with different charge densities and hydrophobic modifications.

    Science.gov (United States)

    Westman, Eva-Helena; Ek, Monica; Enarsson, Lars-Erik; Wågberg, Lars

    2009-06-08

    Hydrophobically modified and unmodified polyvinylamines (PVAm), including a total of five polymers, were tested against both gram-negative ( Escherichia coli ) and gram-positive ( Bacillus subtilis ) bacteria for antimicrobial activity. The assessment of PVAm in solution against bacteria is described, and the influence of the charge density and of the hydrophobic modification of the polyelectrolyte is discussed. The antimicrobial activity was found to depend upon the concentration of PVAm and also on the type of bacteria used. The results also indicated that no direct relationship exists between antimicrobial activity and charge density of the different PVAms. It was, however, observed that an alkyl chain length of six or eight alkane units had a substantial effect on the bacteria investigated. The best combined antibacterial activity for the two bacteria tested was achieved for PVAm with a C(6) alkane substituent (PVAm C(6)). To evaluate the antimicrobial activity on a solid substrate, PVAm C(6) was further studied after being deposited onto a glass slide and the results show a large reduction in bacterial infection.

  8. Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

    Energy Technology Data Exchange (ETDEWEB)

    Duignan, Timothy T. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Baer, Marcel D. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Schenter, Gregory K. [Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA; Mundy, Chistopher J. [Department of Chemical Engineering, University of Washington, Seattle, Washington 98185, USA

    2017-10-28

    Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for coarse grained models of electrolyte solution. Here, we provide rigorous definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation (DFT-MD) and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to highly unphysical values for the solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry (CHA) for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation. We would like to thank Thomas Beck, Shawn Kathmann, Richard Remsing and John Weeks for helpful discussions. Computing resources were generously allocated by PNNL's Institutional Computing program. This research also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TTD, GKS, and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across

  9. The role of surface charge density in cationic liposome-promoted dendritic cell maturation and vaccine-induced immune responses

    Science.gov (United States)

    Ma, Yifan; Zhuang, Yan; Xie, Xiaofang; Wang, Ce; Wang, Fei; Zhou, Dongmei; Zeng, Jianqiang; Cai, Lintao

    2011-05-01

    Cationic liposomes have emerged as a novel adjuvant and antigen delivery system to enhance vaccine efficacy. However, the role of surface charge density in cationic liposome-regulated immune responses has not yet been elucidated. In the present study, we prepared a series of DOTAP/DOPC cationic liposomes with different surface densities by incorporating varying amounts of DOPC (a neutral lipid) into DOTAP (a cationic lipid). The results showed that DOTAP/DOPC cationic liposome-regulated immune responses relied on the surface charge density, and might occur through ROS signaling. The liposomes with a relatively high charge density, such as DOTAP/DOPC 5 : 0 and 4 : 1 liposomes, potently enhanced dendritic cell maturation, ROS generaion, antigen uptake, as well as the production of OVA-specific IgG2a and IFN-γ. In contrast, low-charge liposomes, such as DOTAP/DOPC 1 : 4 liposome, failed to promote immune responses even at high concentrations, confirming that the immunoregulatory effect of cationic liposomes is mostly attributable to their surface charge density. Moreover, the DOTAP/DOPC 1 : 4 liposome suppressed anti-OVA antibody responses in vivo. Overall, maintaining an appropriate surface charge is crucial for optimizing the adjuvant effect of cationic liposomes and enhancing the efficacy of liposome-based vaccines.

  10. Densities and Excess Molar Volume for the Ternary Systems (1 ...

    African Journals Online (AJOL)

    NICO

    2012-09-10

    Sep 10, 2012 ... catalyst to extend its life span, and as reagents for nanomaterials.2,3. The physical properties of ILs such as density, viscosity, melting point, polarity and miscibility with water or molecular solvents, can be finely tuned by changing either the anion or the cation.2–6. ILs have other properties such as very low ...

  11. Effect of reinforcement volume fraction on the density & elastic ...

    African Journals Online (AJOL)

    unidirectional Zr41.2Ti13.8Cu12.5Ni10Be22.5, Vit.1, Bulk metallic glass matrix composites, reinforced with glass E,. Fe, Mo, Ni, Cr, Mn, Nb, Cd, Pt, U, Cu or Zr fibers, has been investigated. It was found the elastic moduli of high volume fraction composites are improved with the introduction of certain materials reinforcement ...

  12. Coupled electron-hole bilayer graphene sheets: Superfluidity, Charge Density Waves, and Coupled Wigner Crystals

    Science.gov (United States)

    Zarenia, Mohammad; Peeters, Francois; Neilson, David

    The juxtaposition of superconducting and charge density wave (CDW) phases that is often observed in connection with High-Temperature Superconductors, is attracting considerable attention. In these systems, the crystal lattice provides a polarizable background, needed to drive the CDW phase. We report on a different system that exhibits the association of superfluid and CDW phases, but in which the polarizable background is uniform. Our system consists of two coupled two-dimensional bilayers of graphene, one bilayer containing electrons and the other holes interacting through the long range Coulomb interaction. To account for the inter-layer correlation energy accurately, we introduce a new approach which is based on the random phase approximation at high densities and interpolation between the weakly- and strongly-interacting regimes. We determine the zero temperature phase diagram in which the two control parameters are the equal electron and hole densities and the thickness of the insulating barrier separating the two bilayers. We find in addition to an electron-hole superfluid and a one-dimensional CDW phases that there exist also a coupled electron-hole Wigner crystal. The structure of the crystal background plays no role in determining the phase diagram. This work was supported by the Flemish Science Foundation (FWO).

  13. Management of deep brain stimulator battery failure: battery estimators, charge density, and importance of clinical symptoms.

    Directory of Open Access Journals (Sweden)

    Kaihan Fakhar

    Full Text Available OBJECTIVE: We aimed in this investigation to study deep brain stimulation (DBS battery drain with special attention directed toward patient symptoms prior to and following battery replacement. BACKGROUND: Previously our group developed web-based calculators and smart phone applications to estimate DBS battery life (http://mdc.mbi.ufl.edu/surgery/dbs-battery-estimator. METHODS: A cohort of 320 patients undergoing DBS battery replacement from 2002-2012 were included in an IRB approved study. Statistical analysis was performed using SPSS 20.0 (IBM, Armonk, NY. RESULTS: The mean charge density for treatment of Parkinson's disease was 7.2 µC/cm(2/phase (SD = 3.82, for dystonia was 17.5 µC/cm(2/phase (SD = 8.53, for essential tremor was 8.3 µC/cm(2/phase (SD = 4.85, and for OCD was 18.0 µC/cm(2/phase (SD = 4.35. There was a significant relationship between charge density and battery life (r = -.59, p<.001, as well as total power and battery life (r = -.64, p<.001. The UF estimator (r = .67, p<.001 and the Medtronic helpline (r = .74, p<.001 predictions of battery life were significantly positively associated with actual battery life. Battery status indicators on Soletra and Kinetra were poor predictors of battery life. In 38 cases, the symptoms improved following a battery change, suggesting that the neurostimulator was likely responsible for symptom worsening. For these cases, both the UF estimator and the Medtronic helpline were significantly correlated with battery life (r = .65 and r = .70, respectively, both p<.001. CONCLUSIONS: Battery estimations, charge density, total power and clinical symptoms were important factors. The observation of clinical worsening that was rescued following neurostimulator replacement reinforces the notion that changes in clinical symptoms can be associated with battery drain.

  14. Charge density wave instabilities of type-II Weyl semimetals in a strong magnetic field

    Science.gov (United States)

    Trescher, Maximilian; Bergholtz, Emil J.; Udagawa, Masafumi; Knolle, Johannes

    2017-11-01

    Shortly after the discovery of Weyl semimetals, properties related to the topology of their bulk band structure have been observed, e.g., signatures of the chiral anomaly and Fermi arc surface states. These essentially single particle phenomena are well understood, but whether interesting many-body effects due to interactions arise in Weyl systems remains much less explored. Here, we investigate the effect of interactions in a microscopic model of a type-II Weyl semimetal in a strong magnetic field. We identify a charge density wave (CDW) instability even for weak interactions stemming from the emergent nesting properties of the type-II Weyl Landau level dispersion. We map out the dependence of this CDW on magnetic field strength. Remarkably, as a function of decreasing temperature, a cascade of CDW transitions emerges and we predict characteristic signatures for experiments.

  15. Macroscopic quantum coherence in charge density wave whisker NbSe{sub 3} under strain

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, P.; Chen, Z.J.; Jiang, Q.; Jin, D. [Physics Institute, Laboratory of Ultra-Low Temperature Physics, Chinese Academy of Sciences, Beijing (China)

    2000-07-03

    The magnetoresistance oscillation of the charge density wave (CDW) material NbSe{sub 3} whisker has been studied under strain at different temperatures (4.2 K, 30 K, 40 K). With a constant measuring current, the magnetoresistance (MR) curves oscillate at 30 K while they are smooth at 4.2 K and become a series of zigzag curves at 40 K. These oscillation periods are {delta}H, rather than {delta}(1/H ). It is found that either increasing the temperature to 40 K, or straining the sample to a displacement as large as {epsilon}=3.1%, makes the regular oscillations disappear. By analysing the data, we found our results can be interpreted as the quantum coherence effect of a moving CDW. (author)

  16. Torsional strain of TaS3 whiskers on the charge-density wave depinning.

    Science.gov (United States)

    Pokrovskii, V Ya; Zybtsev, S G; Gorlova, I G

    2007-05-18

    We find that an electric current I exceeding the threshold value results in torsional strain of o-TaS3 samples with one contact freely suspended. The rotation angle deltavarphi of the free end achieves several degrees and exhibits hysteresis as a function of I. The sign of deltavarphi depends on the I polarity; a polar axis along the conducting chains (the c axis) is pointed out. We associate the effect with surface shear of the charge-density wave (CDW) coupled to the crystal shear. The current-induced torsional strain could be treated in terms of enormous piezoelectric coefficients (>10(-4) cm/V) corresponding to shear. In essence, TaS3 appears to be a ready torsional actuator based on the unique intrinsic property of the CDW.

  17. Local atomic structure and discommensurations in the charge density wave of CeTe3.

    Science.gov (United States)

    Kim, H J; Malliakas, C D; Tomić, A T; Tessmer, S H; Kanatzidis, M G; Billinge, S J L

    2006-06-09

    The local structure of in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function analysis of x-ray diffraction data. Local atomic distortions in the Te nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures is explained by the discommensurated nature of the CDW, since the pair distribution function is sensitive to the local displacements within the commensurate regions, whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system.

  18. Charge density wave quantum critical point with strong enhancement of superconductivity

    Science.gov (United States)

    Gruner, Thomas; Jang, Dongjin; Huesges, Zita; Cardoso-Gil, Raul; Fecher, Gerhard H.; Koza, Michael M.; Stockert, Oliver; MacKenzie, Andrew P.; Brando, Manuel; Geibel, Christoph

    2017-10-01

    Quantum critical points (QCPs), at which a second-order phase transition is continuously suppressed to zero temperature, are currently one of the central topics in solid-state physics. The strong interest emerges from observations of very unusual properties at QCPs such as the onset of unconventional superconductivity (SC). While QCPs found at the disappearance of magnetic order are quite common and intensively studied, a QCP that results from a structural transition is scarce and poorly investigated. Here, we report on the observation of a charge density wave (CDW) type of structural ordering in LuPt 2In with a second-order transition at TCDW = 490 K. Substituting Pd for Pt suppresses TCDW continuously towards T = 0, leading to a QCP at 58% Pd substitution. We find a strong enhancement of bulk SC just at the QCP, pointing to a new type of interaction between CDW and SC.

  19. STM Studies of TbTe3: Evidence for a Fully Incommensurate Charge Density Wave

    Energy Technology Data Exchange (ETDEWEB)

    Fang, A.; Ru, N.; Fisher, I.R.; /Stanford U., Appl. Phys. Dept.; Kapitulnik, A.; /Stanford U., Appl. Phys. Dept. /Stanford U., Phys. Dept.

    2010-02-15

    We observe unidirectional charge density wave ordering on the cleaved surface of TbTe{sub 3} with a Scanning Tunneling Microscope at {approx}6 K. The modulation wave-vector q{sub CDW} as determined by Fourier analysis is 0.71 {+-} 0.02 x2{pi}/c. Where c is one edge of the in-plane 3D unit cell. Images at different tip-sample voltages show the unit cell doubling effects of dimerization and the layer below. Our results agree with bulk X-ray measurements, with the addition of (1/3) x2{pi}/a ordering perpendicular to the CDW. Our analysis indicates that the CDW is incommensurate.

  20. Determination of surface charge density of α-alumina by acid-base titration

    Directory of Open Access Journals (Sweden)

    Justin W. Ntalikwa

    2007-04-01

    Full Text Available The surface charge density (σo of colloidal alpha alumina suspended in various 1:1 electrolytes was measured using acid-base titration. An autotitrator capable of dispensing accurately 25 plus or minus 0.1 μL of titrant was used. The pH and temperature in the titration cell were monitored using single junction electrodes and platinum resistance thermometers, respectively. A constant supply of nitrogen gas in the cell was used to maintain inert conditions. The whole set up was interfaced with a computer for easy data acquisition. It was observed that the material exhibits a point of zero charge (PZC, this occurred at pH of 7.8 plus or minus 0.1, 7.6 plus or minus 0.2, 8.5 plus or minus 0.1, 8.3 plus or minus 0.1 for NaCl, NaNO3, CsCl and CsNO3 systems, respectively. It was also observed that below PZC, σo increases with increase in electrolyte concentration (Co whereas above PZC, σo decreases with increase in Co. It was concluded that σo of this material is a function of pH and Co and that its polarity can be varied through zero by varying these parameters.

  1. Phase transitions to dipolar clusters and charge density waves in high T{sub c} superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Saarela, M., E-mail: Mikko.Saarela@oulu.fi [Department of Physics, University of Oulu, P.O. Box 3000, FIN-90014 (Finland); Kusmartsev, F.V. [Department of Physics, Loughborough University, LE11 3TU (United Kingdom)

    2017-02-15

    We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions. Such dipoles may order into charge-density waves (CDW) or stripes or form a disordered state depending on doping and temperature. The lowest energy of the ordered system corresponds to a local anti-ferroelectric ordering. The mobility of individual disordered dipoles is very low at low temperatures and they prefer first to bind into dipole-dipole pairs. Electromagnetic radiation interacts strongly with electric dipoles and when the sample is subjected to it the mobility changes significantly. This leads to a fractal growth of dipolar clusters. The existence of electric dipoles and CDW induce two phase transitions with increasing temperature, melting of the ordered state and disappearance of the dipolar state. Ferroelectricity at low doping is a natural consequence of such dipole moments. We develop a theory based on two-level systems and dipole-dipole interaction to explain the behavior of the polarization as a function of temperature and electric field.

  2. Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding types.

    Science.gov (United States)

    Zhang, Lixian; Ying, Fuming; Wu, Wei; Hiberty, Philippe C; Shaik, Sason

    2009-01-01

    To characterize the nature of bonding we derive the topological properties of the electron charge density of a variety of bonds based on ab initio valence bond methods. The electron density and its associated Laplacian are partitioned into covalent, ionic, and resonance components in the valence bond spirit. The analysis provides a density-based signature of bonding types and reveals, along with the classical covalent and ionic bonds, the existence of two-electron bonds in which most of the bonding arises from the covalent-ionic resonance energy, so-called charge-shift bonds. As expected, the covalent component of the Laplacian at the bond critical point is found to be largely negative for classical covalent bonds. In contrast, for charge-shift bonds, the covalent part of the Laplacian is small or positive, in agreement with the weakly attractive or repulsive character of the covalent interaction in these bonds. On the other hand, the resonance component of the Laplacian is always negative or nearly zero, and it increases in absolute value with the charge-shift character of the bond, in agreement with the decrease of kinetic energy associated with covalent-ionic mixing. A new interpretation of the topology of the total density at the bond critical point is proposed to characterize covalent, ionic, and charge-shift bonding from the density point of view.

  3. Polarization charge densities provide a predictive quantification of hydrogen bond energies.

    Science.gov (United States)

    Klamt, Andreas; Reinisch, Jens; Eckert, Frank; Hellweg, Arnim; Diedenhofen, Michael

    2012-01-14

    A systematic density functional theory based study of hydrogen bond energies of 2465 single hydrogen bonds has been performed. In order to be closer to liquid phase conditions, different from the usual reference state of individual donor and acceptor molecules in vacuum, the reference state of donors and acceptors embedded in a perfect conductor as simulated by the COSMO solvation model has been used for the calculation of the hydrogen bond energies. The relationship between vacuum and conductor reference hydrogen bond energies is investigated and interpreted in the light of different physical contributions, such as electrostatic energy and dispersion. A very good correlation of the DFT/COSMO hydrogen bond energies with conductor polarization charge densities of separated donor and acceptor atoms was found. This provides a method to predict hydrogen bond strength in solution with a root mean square error of 0.36 kcal mol(-1) relative to the quantum chemical dimer calculations. The observed correlation is broadly applicable and allows for a predictive quantification of hydrogen bonding, which can be of great value in many areas of computational, medicinal and physical chemistry.

  4. Direct Visualization of Orbital Flipping in Volborthite by Charge Density Analysis Using Detwinned Data

    Science.gov (United States)

    Sugawara, Kento; Sugimoto, Kunihisa; Fujii, Tatsuya; Higuchi, Takafumi; Katayama, Naoyuki; Okamoto, Yoshihiko; Sawa, Hiroshi

    2018-02-01

    The distribution of d-orbital valence electrons in volborthite [Cu3V2O7(OH)2 • 2H2O] was investigated by charge density analysis of the multipole model refinement. Diffraction data were obtained by synchrotron radiation single-crystal X-ray diffraction experiments. Data reduction by detwinning of the multiple structural domains was performed using our developed software. In this study, using high-quality data, we demonstrated that the water molecules in volborthite can be located by the hydrogen bonding in cavities that consist of Kagome lattice layers of CuO4(OH)2 and pillars of V2O7. Final multipole refinements before and after the structural phase transition directly visualized the deformation electron density of the valence electrons. We successfully directly visualized the orbital flipping of the d-orbital dx2-y2, which is the highest level of 3d orbitals occupied by d9 electrons in volborthite. The developed techniques and software can be employed for investigations of structural properties of systems with multiple structural domains.

  5. The RF charge pump technique for measuring the interface state density on leaky dielectrics

    NARCIS (Netherlands)

    Sasse, G.T.; de Vries, Hendrikus; Vries, Henk; Schmitz, Jurriaan

    In this work the RF charge pump technique is presented. It is shown that this technique can rovide charge pump data of devices that have a leakage current too high for classical charge pump measurements. The methodology of accurately performing RF charge pump measurements is discussed and

  6. Small scale density variations of electrons and charged particles in the vicinity of polar mesosphere summer echoes

    Directory of Open Access Journals (Sweden)

    M. Rapp

    2003-01-01

    Full Text Available We present small scale variations of electron number densities and particle charge number densities measured in situ in the presence of polar mesosphere summer echoes. It turns out that the small scale fluctuations of electrons and negatively charged particles show a strong anticorrelation down to the smallest scales observed. Comparing these small scale structures with the simultaneously measured radar signal to noise profile, we find that the radar profile is well described by the power spectral density of both electrons and charged particles at the radar half wavelength (=the Bragg scale. Finally, we consider the shape of the power spectra of the observed plasma fluctuations and find that both charged particles and electrons show spectra that can be explained in terms of either neutral air turbulence acting on the distribution of a low diffusivity tracer or the fossil remnants of a formerly active turbulent region. All these results are consistent with the theoretical ideas by Rapp and Lübken (2003 suggesting that PMSE can be explained by a combination of active and fossil neutral air turbulence acting on the large and heavy charged aerosol particles which are subsequently mirrored in the electron number density distribution that becomes visible to a VHF radar when small scale fluctuations are present.

  7. Strain tuning of the charge density wave in monolayer and bilayer 1T-TaS2.

    Science.gov (United States)

    Gan, Li-Yong; Zhang, Li-Hong; Zhang, Qingyun; Guo, Chun-Sheng; Schwingenschlögl, Udo; Zhao, Yong

    2016-01-28

    Using 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.

  8. 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.

  9. Density assumptions for converting geodetic glacier volume change to mass change

    Directory of Open Access Journals (Sweden)

    M. Huss

    2013-05-01

    Full Text Available The geodetic method is widely used for assessing changes in the mass balance of mountain glaciers. However, comparison of repeated digital elevation models only provides a glacier volume change that must be converted to a change in mass using a density assumption or model. This study investigates the use of a constant factor for the volume-to-mass conversion based on a firn compaction model applied to simplified glacier geometries with idealized climate forcing, and two glaciers with long-term mass balance series. It is shown that the "density" of geodetic volume change is not a constant factor and is systematically smaller than ice density in most cases. This is explained by the accretion/removal of low-density firn layers, and changes in the firn density profile with positive/negative mass balance. Assuming a value of 850 ± 60 kg m−3 to convert volume change to mass change is appropriate for a wide range of conditions. For short time intervals (≤3 yr, periods with limited volume change, and/or changing mass balance gradients, the conversion factor can however vary from 0–2000 kg m−3 and beyond, which requires caution when interpreting glacier mass changes based on geodetic surveys.

  10. Volume adjustment of lung density by computed tomography scans in patients with emphysema

    DEFF Research Database (Denmark)

    Shaker, S B; Dirksen, A; Laursen, Lars Christian

    2004-01-01

    PURPOSE: To determine how to adjust lung density measurements for the volume of the lung calculated from computed tomography (CT) scans in patients with emphysema. MATERIAL AND METHODS: Fifty patients with emphysema underwent 3 CT scans at 2-week intervals. The scans were analyzed with a software...... package that detected the lung in contiguous images and subsequently generated a histogram of the pixel attenuation values. The total lung volume (TLV), lung weight, percentile density (PD), and relative area of emphysema (RA) were calculated from this histogram. RA and PD are commonly applied measures...... of pulmonary emphysema derived from CT scans. These parameters are markedly influenced by changes in the level of inspiration. The variability of lung density due to within-subject variation in TLV was explored by plotting TLV against PD and RA. RESULTS: The coefficients for volume adjustment for PD were...

  11. Layer- and substrate-dependent charge density wave criticality in 1T-TiSe2

    Science.gov (United States)

    Kolekar, Sadhu; Bonilla, Manuel; Ma, Yujing; Coy Diaz, Horacio; Batzill, Matthias

    2018-01-01

    TiSe2 exhibits an unconventional charge density wave (CDW) that has been associated with an excitonic insulator transition. Here we investigate how the CDW transition is changed for single to few layers compared to bulk TiSe2. TiSe2 grown by molecular beam epitaxy on HOPG- or MoS2-substrates is characterized by variable temperature scanning tunneling microscopy and spectroscopy. We show that the CDW state persists for the monolayer but the transition temperature T CDW is significantly increased compared to the bulk. Furthermore, T CDW is strongly dependent on the substrate material. Within the model of an excitonic insulator phase for TiSe2, the substrate dependence may be associated with variations of the excitonic binding energies by the dielectric properties of the substrate. Interestingly, for single layer TiSe2 on HOPG we also observe peaks in the tunneling spectra below 50 K, which are tentatively assigned to coherence peaks of an excitonic condensate. The peaks are observed below T CDW of ~230 K, suggesting that an excitonic insulator induced CDW can exist without a phase coherent state.

  12. Preformed excitons, orbital selectivity, and charge density wave order in 1T-TiSe2

    Science.gov (United States)

    Koley, S.; Laad, M. S.; Vidhyadhiraja, N. S.; Taraphder, A.

    2014-09-01

    Traditional routes to charge density wave (CDW) in transition-metal dichalcogenides, relying on Fermi surface nesting or Jahn-Teller instabilities, have recently been brought into question. While this calls for exploration of alternative views, a paucity of theoretical guidance sustains lively controversy on the origin of, and interplay between, CDW and superconductive orders in transition-metal dichalcogenides. Here, we explore a preformed excitonic liquid route, heavily supplemented by modern correlated electronic-structure calculations, to an exci-tonic CDW order in 1T-TiSe2. We show that orbital-selective dynamical localization arising from preformed excitonic liquid correlations is somewhat reminiscent of states proposed for d and f band quantum criticality at the border of magnetism. Excellent quantitative explication of a wide range of spectral and transport responses in both normal and CDW phases provides strong support for our scenario, and suggests that soft excitonic liquid fluctuations mediate superconductivity in a broad class of transition-metal dichalcogenides on the border of CDW. This brings the transition-metal dichalcogenides closer to the bad actors (where the metallic state is clearly not a Fermi liquid) in d and f band systems, where anomalously soft fluctuations of electronic origin are believed to mediate unconventional superconductivity on the border of magnetism.

  13. Recent Advances in Two-Dimensional Materials with Charge Density Waves: Synthesis, Characterization and Applications

    Directory of Open Access Journals (Sweden)

    Mongur Hossain

    2017-10-01

    Full Text Available Recently, two-dimensional (2D charge density wave (CDW materials have attracted extensive interest due to potential applications as high performance functional nanomaterials. As other 2D materials, 2D CDW materials are layered materials with strong in-plane bonding and weak out-of-plane interactions enabling exfoliation into layers of single unit cell thickness. Although bulk CDW materials have been studied for decades, recent developments in nanoscale characterization and device fabrication have opened up new opportunities allowing applications such as oscillators, electrodes in supercapacitors, energy storage and conversion, sensors and spinelectronic devices. In this review, we first outline the synthesis techniques of 2D CDW materials including mechanical exfoliation, liquid exfoliation, chemical vapor transport (CVT, chemical vapor deposition (CVD, molecular beam epitaxy (MBE and electrochemical exfoliation. Then, the characterization procedure of the 2D CDW materials such as temperature-dependent Raman spectroscopy, temperature-dependent resistivity, magnetic susceptibility and scanning tunneling microscopy (STM are reviewed. Finally, applications of 2D CDW materials are reviewed.

  14. Resonating valence bond and sigma-charge density wave phases in a benzannulated phenalenyl radical.

    Science.gov (United States)

    Bag, Pradip; Itkis, Mikhail E; Pal, Sushanta K; Donnadieu, Bruno; Tham, Fook S; Park, Hyunsoo; Schlueter, John A; Siegrist, Theo; Haddon, Robert C

    2010-03-03

    We report the preparation of the first benzannulated phenalenyl neutral radical conductor (18), and we show that the compound displays unprecedented solid state behavior: the structure is dominated by two sets of intermolecular interactions: (1) a pi-chain structure with superimposed pi-overlap of the benzannulated phenalenyls along [0 0 1], and (2) an interchain overlap involving a pair of carbon atoms (C4) along [0 1 0]. The pi-chain-type stacking motif is reminiscent of previously reported phenalenyl radicals and the room temperature structure (space group P2/c) together with the conductivity of sigma(RT) = 0.03 S/cm and the Pauli-like magnetic susceptibility are best described by the resonating valence bond (RVB) model. The interchain interaction is unstable with respect to the formation of a sigma-charge density wave (sigma-CDW) involving pairs of C4 carbon atoms between adjacent radicals and this phase is characterized by the P2(1)/c space group which involves a doubling of the unit cell along the [0 1 0] direction. The RVB and CDW phases compete for structural occupancy throughout the whole temperature range (15-293 K) with the RVB phase predominating at 15 and 293 K and the sigma-CDW phase achieving a maximum structural occupancy of about 60% at 150 K where it produces clearly discernible effects on the magnetism and conductivity.

  15. Synchrotron X-ray study of charge density waves in o-TaS{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Inagaki, K; Tsubota, M; Ichimura, K; Tanda, S [Department of Applied Physics, Hokkaido University, Sapporo (Japan); Yamamoto, K; Hanasaki, N; Nogami, Y; Ikeda, N [Graduate School of Natural Science, Okayama University, Okayama (Japan); Ito, T; Toyokawa, H, E-mail: kina@eng.hokudai.ac.j [Japan Synchrotron Research Center, Hyogo (Japan)

    2009-03-01

    We report a synchrotron X-ray study of charge density waves (CDW) in an o-TaS{sub 3} crystal. CDW of o-TaS{sub 3} has been known to undergo a commensurate-incommensurate transition at 100 K, below which the wavevector locks in with the pristine lattice. We exploited the beamline BL02B1 of SPring-8. Temperature dependence of the Bragg peak (002) and satellite peak (1 -1 2)+ q-vector was measured from 7 K to 180 K. We found that a new phase in a temperature range of 130--50 K, where two independent CDWs coexist. These waves are incommensurate and commensurate CDWs with longitudinal wave vectors q{sub c}=0.252c* and 0.250c*, respectively. By lowering the temperature, intensity of the incommensurate CDW was decreased, while that of the commensurate CDW was increased. At 50 K, the incommensurate CDW was completely diminished. Based on the concept of discommensuration, we determined the dislocation configuration from the intensity of the two CDWs.

  16. Commensurate-incommensurate transition of charge density waves in o-TaS{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Inagaki, K. [Division of Applied Physics, Graduate School of Engineering, Hokkaido University, Kita 13 Nishi 8, Kita-ku, Sapporo 060-8628 (Japan)], E-mail: kina@eng.hokudai.ac.jp; Tsubota, M.; Ichimura, K.; Tanda, S. [Division of Applied Physics, Graduate School of Engineering, Hokkaido University, Kita 13 Nishi 8, Kita-ku, Sapporo 060-8628 (Japan); Yamamoto, K.; Hanasaki, N.; Nogami, Y.; Ikeda, N. [Graduate School of Natural Science and Technology, Okayama University, 3-1-1 Tsushima-naka, Okayama 700-8530 (Japan); Ito, T.; Toyokawa, H. [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan)

    2009-03-01

    We report a synchrotron X-ray study of charge density waves (CDWs) in an o-TaS{sub 3} crystal. CDW of o-TaS{sub 3} has been known to undergo a commensurate-incommensurate transition at 100 K, below which the wavevector locks in with the pristine lattice. However, the details of the commensurate-incommensurate transition remain open problems, the example being whether the discommensuration exists or not in the neighborhood of the transition. We exploited the beamline BL02B1 of SPring-8. A two-dimensional detector was placed at a distance of 1300 mm from the sample, providing an angle resolution of 0.0076 deg. Temperature dependence of the Bragg peak (0 0 2) and satellite peak (1-12)+q was measured from 7 to 180 K. We found that a new phase in the temperature range of 130-50 K, where two independent CDWs coexist. These waves are incommensurate and commensurate CDWs with longitudinal wave vectors q{sub c}=0.252c* and 0.250c*, respectively. By lowering the temperature, intensity of the incommensurate CDW was decreased, while that of the commensurate CDW was increased. Below 50 K, the incommensurate CDW was completely diminished. Based on the concept of discommensuration, we suggested the dislocation configuration from the intensity of the two CDWs.

  17. Thickness dependent charge transfer states and dark carriers density in vacuum deposited small molecule organic photocell

    Science.gov (United States)

    Shekhar, Himanshu; Tzabari, Lior; Solomeshch, Olga; Tessler, Nir

    2016-10-01

    We have investigated the influence of the active layer thickness on the balance of the internal mechanisms affecting the efficiency of copper phthalocyanine - fullerene (C60) based vacuum deposited bulk heterojunction organic photocell. We fabricated a range of devices for which we varied the thickness of the active layer from 40 to 120 nm and assessed their performance using optical and electrical characterization techniques. As reported previously for phthalocyanine:C60, the performance of the device is highly dependent on the active layer thickness and of all the thicknesses we tried, the 40 nm thin active layer device showed the best solar cell characteristic parameters. Using the transfer matrix based optical model, which includes interference effects, we calculated the optical power absorbed in the active layers for the entire absorption band, and we found that this cannot explain the trend with thickness. Measurement of the cell quantum efficiency as a function of light intensity showed that the relative weight of the device internal processes changes when going from 40 nm to 120 nm thick active layer. Electrical modeling of the device, which takes different internal processes into account, allowed to quantify the changes in the processes affecting the generation - recombination balance. Sub gap external quantum efficiency and morphological analysis of the surface of the films agree with the model's result. We found that as the thickness grows the density of charge transfer states and of dark carriers goes up and the uniformity in the vertical direction is reduced.

  18. Magnetic field controlled charge density wave coupling in underdoped YBa2Cu3O6+x

    DEFF Research Database (Denmark)

    Chang, J.; Blackburn, E.; Ivashko, O.

    2016-01-01

    The application of magnetic fields to layered cuprates suppresses their high-temperature superconducting behaviour and reveals competing ground states. In widely studied underdoped YBa2Cu3O6+x (YBCO), the microscopic nature of field-induced electronic and structural changes at low temperatures...... remains unclear. Here we report an X-ray study of the high-field charge density wave (CDW) in YBCO. For hole dopings ∼ 0.123, we find that a field (B∼10 T) induces additional CDW correlations along the CuO chain (b-direction) only, leading to a three-dimensional (3D) ordered state along this direction...... at B∼15 T. The CDW signal along the a-direction is also enhanced by field, but does not develop an additional pattern of correlations. Magnetic field modifies the coupling between the CuO2 bilayers in the YBCO structure, and causes the sudden appearance of the 3D CDW order. The mirror symmetry...

  19. The Short-Term Effect of Weight Loss Surgery on Volumetric Breast Density and Fibroglandular Volume.

    Science.gov (United States)

    Vohra, Nasreen A; Kachare, Swapnil D; Vos, Paul; Schroeder, Bruce F; Schuth, Olga; Suttle, Dylan; Fitzgerald, Timothy L; Wong, Jan H; Verbanac, Kathryn M

    2017-04-01

    Obesity and breast density are both associated with an increased risk of breast cancer and are potentially modifiable. Weight loss surgery (WLS) causes a significant reduction in the amount of body fat and a decrease in breast cancer risk. The effect of WLS on breast density and its components has not been documented. Here, we analyze the impact of WLS on volumetric breast density (VBD) and on each of its components (fibroglandular volume and breast volume) by using three-dimensional methods. Fibroglandular volume, breast volume, and their ratio, the VBD, were calculated from mammograms before and after WLS by using Volpara™ automated software. For the 80 women included, average body mass index decreased from 46.0 ± 7.22 to 33.7 ± 7.06 kg/m2. Mammograms were performed on average 11.6 ± 9.4 months before and 10.1 ± 7 months after WLS. There was a significant reduction in average breast volume (39.4 % decrease) and average fibroglandular volume (15.5 % decrease), and thus, the average VBD increased from 5.15 to 7.87 % (p Breast volume and fibroglandular volume decreased, and VBD increased following WLS, with the most significant change observed in postmenopausal women and non-diabetics. Further studies are warranted to determine how physical and biological alterations in breast density components after WLS may impact breast cancer risk.

  20. Charge and current density profiles of a degenerate magnetized free-electron gas near a hard wall

    NARCIS (Netherlands)

    Kettenis, M.M.; Suttorp, L.G.

    1998-01-01

    The charge and current densities of a completely degenerate free-electron gas in a uniform magnetic field are found to have a damped oscillatory spatial dependence near a wall that is parallel to the magnetic field. For large distances from the wall the behaviour of the associated profile functions

  1. The surface charge density of plant cell membranes: an attempt to resolve conflicting values for intrinsic s.

    Science.gov (United States)

    The electrical potentials at membrane surfaces (Psi) may be computed with electrostatic models incorporating the intrinsic surface charge density of the membrane (Sigma), the ion composition of the bathing medium, and ion binding to the membrane. Ion activities at membrane surfaces may be computed ...

  2. Charge density wave and superconductivity in 2H-and 4H-NbSe2: A ...

    Indian Academy of Sciences (India)

    Good-quality hexagonal NbSe2 single crystals were prepared. In 2H-NbSe2, superconducting and charge density wave (CDW) transitions were found at = 7.4 K and = 35 K respectively as reported previously. We have noticed that these two transitions are changed to = 42 K and = 6.5 K, in 4H-NbSe2.

  3. Mapping Charge Carrier Density in Organic Thin-Film Transistors by Time-Resolved Photoluminescence Lifetime Studies

    DEFF Research Database (Denmark)

    Leißner, Till; Jensen, Per Baunegaard With; Liu, Yiming

    2017-01-01

    /organic interface or at grain boundaries. In our comprehensive experimental and analytical work we demonstrate a method to characterize the charge carrier density in organic thin-film transistors using time-resolved photoluminescence spectroscopy. We developed a numerical model that describes the electrical...

  4. Toward deformation densities for intramolecular interactions without radical reference states using the fragment, atom, localized, delocalized, and interatomic (FALDI) charge density decomposition scheme.

    Science.gov (United States)

    de Lange, Jurgens Hendrik; Cukrowski, Ignacy

    2017-05-15

    A novel approach for calculating deformation densities is presented, which enables to calculate the deformation density resulting from a change between two chemical states, typically conformers, without the need for radical fragments. The Fragment, Atom, Localized, Delocalized, and Interatomic (FALDI) charge density decomposition scheme is introduced, which is applicable to static electron densities (FALDI-ED), conformational deformation densities (FALDI-DD) as well as orthodox fragment-based deformation densities. The formation of an intramolecular NH⋅⋅⋅N interaction in protonated ethylene diamine is used as a case study where the FALDI-based conformational deformation densities (with atomic or fragment resolution) are compared with an orthodox EDA-based approach. Atomic and fragment deformation densities revealed in real-space details that (i) pointed at the origin of density changes associated with the intramolecular H-bond formation and (ii) fully support the IUPAC H-bond representation. The FALDI scheme is equally applicable to intra- and intermolecular interactions. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  5. Topological properties of hydrogen bonds and covalent bonds from charge densities obtained by the maximum entropy method (MEM).

    Science.gov (United States)

    Netzel, Jeanette; van Smaalen, Sander

    2009-10-01

    Charge densities have been determined by the Maximum Entropy Method (MEM) from the high-resolution, low-temperature (T approximately 20 K) X-ray diffraction data of six different crystals of amino acids and peptides. A comparison of dynamic deformation densities of the MEM with static and dynamic deformation densities of multipole models shows that the MEM may lead to a better description of the electron density in hydrogen bonds in cases where the multipole model has been restricted to isotropic displacement parameters and low-order multipoles (l(max) = 1) for the H atoms. Topological properties at bond critical points (BCPs) are found to depend systematically on the bond length, but with different functions for covalent C-C, C-N and C-O bonds, and for hydrogen bonds together with covalent C-H and N-H bonds. Similar dependencies are known for AIM properties derived from static multipole densities. The ratio of potential and kinetic energy densities |V(BCP)|/G(BCP) is successfully used for a classification of hydrogen bonds according to their distance d(H...O) between the H atom and the acceptor atom. The classification based on MEM densities coincides with the usual classification of hydrogen bonds as strong, intermediate and weak [Jeffrey (1997). An Introduction to Hydrogen Bonding. Oxford University Press]. MEM and procrystal densities lead to similar values of the densities at the BCPs of hydrogen bonds, but differences are shown to prevail, such that it is found that only the true charge density, represented by MEM densities, the multipole model or some other method can lead to the correct characterization of chemical bonding. Our results do not confirm suggestions in the literature that the promolecule density might be sufficient for a characterization of hydrogen bonds.

  6. Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4

    Science.gov (United States)

    Lo Presti, Leonardo; Destro, Riccardo

    2008-01-01

    The total charge density distribution ρ(r ) of the colossal magnetoresistive transition metal sulfide FeCr2S4 was evaluated through a multipole formalism from a set of structure factors obtained both experimentally, by means of single crystal high-quality x-ray diffraction data collected at T =23K, and theoretically, with an extended-basis unrestricted Hartree-Fock periodic calculation on the experimental geometry. A full topological analysis, followed by the calculation of local energy density values and net atomic charges, was performed using the quantum theory of atoms in molecules. The experimental and theoretical results were compared. Good agreement was found for the topological properties of the system, as well as for the atomic net charges and the nature of the chemical bonds. An analysis of the electron density ρ(r ), its Laplacian ∇2[ρ(r)], and the total energy density H(r ) at the bond critical points was employed to classify all the interactions that resulted as predominantly closed shell (ionic) in nature. The topological indicators of the bonded interactions for Fe are distinct from those for Cr. The Fe-S bond distances were found to be 0.145Å shorter than the ideal values computed on the basis of Shannon's crystal radii, much shorter than the Cr-S distances with respect to their ideal Shannon lengths. Concomitantly, ρ(r ) and ∣H(r)∣ at the bond critical points are greater for Fe-S interactions, indicating that the local concentration of charge density in the internuclear region is larger for the tetrahedrally coordinated iron than for the octahedrally coordinated chromium. The isosurface in the real space for ∇2[ρ(r)]=0 was plotted for both iron and chromium, pointing out the local zones of valence shell charge concentration and relating them to the partial d-orbital occupancy of the two transition metal atoms.

  7. Correction volumes and densities in Vitrea Program; Correcao de volumes e densidades no Programa Vitrea

    Energy Technology Data Exchange (ETDEWEB)

    Abrantes, Marcos E.S.; Oliveira, A.H. de, E-mail: marcosabrantes2003@yahoo.com.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Nuclear; Abrantes, R.C., E-mail: abrantes.rafa1@gmail.com [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Eletrica; Magalhaes, M.J., E-mail: mjuliano100@yahoo.com.br [Ambienttal Protecao Radiologica, Belo Horizonte, MG (Brazil)

    2014-07-01

    Introduction: with the increased use of 3D reconstruction techniques to assist in diagnosis, Vitrea® program is widely used. To use this program you need to know the correction values to generate the volumes and number of real CT human tissues. Objective: provide correction values for volumes and number of CT, read the Vitrea program, of the tissues generated by DICOM images from CT. Methodology: this study used a PMMA chest phantom to generate the DICOM images on a scanner. To check the calibration of the scanner was used Catphan phantom and compared the manufacturer of the values associated with its straight linearity. Results: the volume of PMMA phantom was of 11166.58 cm³ and CT number (123.5 ± 33.4) UH. For the volume found in Vitrea program, according to the structures of interest, were 11897.29 cm{sup 3}, 10901.65 cm³, 16906.49 cm{sup 3} and 11848.34 cm³ and corrections values are -6.14%, + 2.43% -6.94% -5.75% respectively for the tissues: lung, bone, soft and full. For the CT numbers found in this program were (97.60 ± 58.9) UH, (72.00 ± 176.00) UH, (143.20 ± 19.50) UH and (31.90 ± 239,10) UH and corrections of + 26.54%, + 71.53%, -13.64% and 387.15% respectively for tissues: lung, bone, soft and full. Conclusion: the procedure performed can be used in other 3D reconstruction programs and where there are tools to reading CT number, observing the necessary corrections.

  8. 'Memory' and sustention of microdischarges in a steady-state DBD: volume plasma or surface charge?

    Science.gov (United States)

    Akishev, Yuri; Aponin, Gregory; Balakirev, Anton; Grushin, Mikhail; Karalnik, Vladimir; Petryakov, Alexander; Trushkin, Nikolay

    2011-04-01

    The results of a numerical study on the spatio-temporal behavior of transient microdischarges (MDs) in a steady-state dielectric barrier discharge (DBD) excited by a sinusoidal voltage are presented. MDs have a spatial 'memory'—every subsequent MD appears at exactly the same location occupied by the MD at the preceding half-period (HP). In the majority of cases each MD appears at its location only once during every HP. For such a case, the memory effect is not attributed to the residual surface charge deposited by the preceding MD but determined by the residual MD plasma column shunting the gap right up to the beginning of the next HP. In contrast to good memory in space, each individual MD has a large scatter with time in its appearance within every HP, i.e. there is no 'memory' concerning the phase of an applied voltage. This MD jittering within the period is attributed to the stochastic nature of partial surface breakdowns around the bases of the MD plasma column. Numerical calculations show that surface breakdown provides an MD current splash at every HP. Hence, in the steady-state DBD, the volume plasma is responsible for the existence of MD spatial 'memory' (i.e. where the MD appears), and the deposited surface charge is responsible for MD jittering in time (i.e. when the MD appears). Hot topic report presented at the 20th ESCAMPIG, 13-17 July 2010, Novi Sad, Serbia.

  9. Charge Transfer Enhancement in the D-π-A Type Porphyrin Dyes: A Density Functional Theory (DFT and Time-Dependent Density Functional Theory (TD-DFT Study

    Directory of Open Access Journals (Sweden)

    Guo-Jun Kang

    2016-11-01

    Full Text Available The electronic geometries and optical properties of two D-π-A type zinc porphyrin dyes (NCH3-YD2 and TPhe-YD were systematically investigated by density functional theory (DFT and time-dependent density functional theory (TD-DFT to reveal the origin of significantly altered charge transfer enhancement by changing the electron donor of the famous porphyrin-based sensitizer YD2-o-C8. The molecular geometries and photophysical properties of dyes before and after binding to the TiO2 cluster were fully investigated. From the analyses of natural bond orbital (NBO, extended charge decomposition analysis (ECDA, and electron density variations (Δρ between the excited state and ground state, it was found that the introduction of N(CH32 and 1,1,2-triphenylethene groups enhanced the intramolecular charge-transfer (ICT character compared to YD2-o-C8. The absorption wavelength and transition possess character were significantly influenced by N(CH32 and 1,1,2-triphenylethene groups. NCH3-YD2 with N(CH32 groups in the donor part is an effective way to improve the interactions between the dyes and TiO2 surface, light having efficiency (LHE, and free energy change (ΔGinject, which is expected to be an efficient dye for use in dye-sensitized solar cells (DSSCs.

  10. Impact of particle density and initial volume on mathematical compression models

    DEFF Research Database (Denmark)

    Sonnergaard, Jørn

    2000-01-01

    In the calculation of the coefficients of compression models for powders either the initial volume or the particle density is introduced as a normalising factor. The influence of these normalising factors is, however, widely different on coefficients derived from the Kawakita, Walker and Heckel e...

  11. Teaching Archimedes' Principle to Sixth Graders without Teaching Mass, Density, Pressure, Volume or Buoyancy

    Science.gov (United States)

    Raghavan, Neeraja

    2017-01-01

    Flotation is usually taught in Indian schools after students have been introduced to the concepts of mass, density, pressure, volume and buoyancy. This paper describes an attempt to teach the principle of flotation to a class of sixth graders--who had not yet been taught these concepts--so they could understand (and perhaps, arrive at) Archimedes'…

  12. Teaching Archimedes' Principle to Sixth Graders without Teaching Mass, Density, Pressure, Volume or Buoyancy

    Science.gov (United States)

    Raghavan, Neeraja

    Flotation is usually taught in Indian schools after students have been introduced to the concepts of mass, density, pressure, volume and buoyancy. This paper describes an attempt to teach the principle of flotation to a class of sixth graders--who had not yet been taught these concepts--so they could understand (and perhaps, arrive at) Archimedes'…

  13. Multiple charge density wave transitions in the antiferromagnets R NiC2 (R =Gd ,Tb)

    Science.gov (United States)

    Shimomura, S.; Hayashi, C.; Hanasaki, N.; Ohnuma, K.; Kobayashi, Y.; Nakao, H.; Mizumaki, M.; Onodera, H.

    2016-04-01

    X-ray scattering and electrical resistivity measurements were performed on GdNiC2 and TbNiC2. We found a set of satellite peaks characterized by q1=(0.5 ,η ,0 ) below T1, at which the resistivity shows a sharp inflection, suggesting the charge density wave (CDW) formation. The value of η decreases with decreasing temperature below T1, and then a transition to a commensurate phase with q1 C=(0.5 ,0.5 ,0 ) takes place. The diffuse scattering observed above T1 indicates the presence of soft phonon modes associated with CDW instabilities at q1 and q2=(0.5 ,0.5 ,0.5 ) . The long-range order given by q2 is developed in addition to that given by q1 C in TbNiC2, while the short-range correlation with q2 persists even at 6 K in GdNiC2. The amplitude of the q1 C lattice modulation is anomalously reduced below an antiferromagnetic transition temperature TN in GdNiC2. In contrast, the q2 order vanishes below TN in TbNiC2. We demonstrate that R NiC2 (R = rare earth) compounds exhibit similarities with respect to their CDW phenomena, and discuss the effects of magnetic transitions on CDWs. We offer a possible displacement pattern of the modulated structure characterized by q1 C and q2 in terms of frustration.

  14. Modeling space-charge-limited currents in organic semiconductors: Extracting trap density and mobility

    KAUST Repository

    Dacuña, Javier

    2011-11-28

    We have developed and have applied a mobility edge model that takes drift and diffusion currents to characterize the space-charge-limited current in organic semiconductors into account. The numerical solution of the drift-diffusion equation allows the utilization of asymmetric contacts to describe the built-in potential within the device. The model has been applied to extract information of the distribution of traps from experimental current-voltage measurements of a rubrene single crystal from Krellner showing excellent agreement across several orders of magnitude in the current. Although the two contacts are made of the same metal, an energy offset of 580 meV between them, ascribed to differences in the deposition techniques (lamination vs evaporation) was essential to correctly interpret the shape of the current-voltage characteristics at low voltage. A band mobility of 0.13cm 2V-1s-1 for holes is estimated, which is consistent with transport along the long axis of the orthorhombic unit cell. The total density of traps deeper than 0.1 eV was 2.2×1016cm -3. The sensitivity analysis and error estimation in the obtained parameters show that it is not possible to accurately resolve the shape of the trap distribution for energies deeper than 0.3 eV or shallower than 0.1 eV above the valence-band edge. The total number of traps deeper than 0.3 eV, however, can be estimated. Contact asymmetry and the diffusion component of the current play an important role in the description of the device at low bias and are required to obtain reliable information about the distribution of deep traps. © 2011 American Physical Society.

  15. Charge-Transfer in Time-Dependent Density Functional Theory: Insights from the Asymmetric Hubbard Dimer

    CERN Document Server

    Fuks, J I

    2013-01-01

    We show that an asymmetric two-fermion two-site Hubbard model illustrates the essential features of long-range charge-transfer dynamics in a real-space molecule. We apply a resonant field that transfers one fermion from one site to the other. Via constrained search we find the exact ground-state exchange-correlation functional, and use it to propagate the Kohn-Sham system, giving the first "adiabatically-exact" calculation of time-resolved charge-transfer. This propagation fails to properly transfer charge. We analyze why by comparing the exact and adiabatically-exact potentials and discuss the role of the derivative discontinuity. The implication for real-space molecules is that even the best possible adiabatic approximation, despite capturing non-local step features relevant to dissociation and charge-transfer excitations, cannot capture fully time-resolved charge-transfer dynamics.

  16. Full charge-density scheme with a kinetic-energy correction: Application to ground-state properties of the 4d metals

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J.; Skriver, Hans Lomholt

    1997-01-01

    We present a full charge-density technique to evaluate total energies from the output of self-consistent linear muffin-tin orbitals (LMTO) calculations in the atomic-sphere approximation (ASA). The Coulomb energy is calculated exactly from the complete, nonspherically symmetric charge density...

  17. Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory.

    Science.gov (United States)

    Ishizuka, Ryosuke; Matubayasi, Nobuyuki

    2017-11-15

    A self-consistent scheme combining the molecular dynamics (MD) simulation and density functional theory (DFT) was recently proposed to incorporate the effects of the charge transfer and polarization of ions into non-poralizable force fields of ionic liquids for improved description of energetics and dynamics. The purpose of the present work is to analyze the detailed setups of the MD/DFT scheme by focusing on how the basis set, exchange-correlation (XC) functional, charge-fitting method or force field for the intramolecular and Lennard-Jones interactions affects the MD/DFT results of 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ( [C1mim][NTf2]) and 1-ethyl-3-methylimidazolium glycinate ( [C2mim][Gly]). It was found that the double-zeta valence polarized or larger size of basis set is required for the convergence of the effective charge of the ion. The choice of the XC functional was further not influential as far as the generalized gradient approximation is used. The charge-fitting method and force field govern the accuracy of the MD/DFT scheme, on the other hand. We examined the charge-fitting methods of Blöchl, the iterative Hirshfeld (Hirshfeld-I), and REPEAT in combination with Lopes et al.'s force field and general AMBER force field. There is no single combination of charge fitting and force field that provides good agreements with the experiments, while the MD/DFT scheme reduces the effective charges of the ions and leads to better description of energetics and dynamics compared to the original force field with unit charges. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  18. High performance charge-state resolving ion energy analyzer optimized for intense laser studies on low-density cluster targets

    Science.gov (United States)

    Komar, D.; Meiwes-Broer, K.-H.; Tiggesbäumker, J.

    2016-10-01

    We report on a versatile ion analyzer which is capable to resolve ion charge states and energies with a resolution of E/ΔE = 100 at 75 keV/nucleon. Charge states are identified by their characteristic deflection in a magnetic field, whereas the ion energies are independently determined by a time-of-flight measurement. To monitor the signals a delay-line detector is used which records ion impact positions and times in each laser shot. Compared to conventional Thomson parabola spectrometers our instrument provides a low background measurement, hence a superior dynamic range. Further features are an improved energy resolution and a significantly increased transmission. We demonstrate the performance by showing charge-state resolved ion energy spectra from the Coulomb explosion of a low-density target, i.e., silver clusters exposed to intense femtosecond laser pulses.

  19. Spin polarization driven by a charge-density wave in monolayer 1T−TaS2

    KAUST Repository

    Zhang, Qingyun

    2014-08-06

    Using first-principles calculations, we investigate the electronic and vibrational properties of monolayer T-phase TaS2. We demonstrate that a charge-density wave is energetically favorable at low temperature, similar to bulk 1T-TaS2. Electron-phonon coupling is found to be essential for the lattice reconstruction. The charge-density wave results in a strong localization of the electronic states near the Fermi level and consequently in spin polarization, transforming the material into a magnetic semiconductor with enhanced electronic correlations. The combination of inherent spin polarization with a semiconducting nature distinguishes the monolayer fundamentally from the bulk compound as well as from other two-dimensional transition metal dichalcogenides. Monolayer T-phase TaS2 therefore has the potential to enable two-dimensional spintronics. © 2014 American Physical Society.

  20. Constraints on rapidity-dependent initial conditions from charged-particle pseudorapidity densities and two-particle correlations

    Science.gov (United States)

    Ke, Weiyao; Moreland, J. Scott; Bernhard, Jonah E.; Bass, Steffen A.

    2017-10-01

    We study the initial three-dimensional spatial configuration of the quark-gluon plasma (QGP) produced in relativistic heavy-ion collisions using centrality and pseudorapidity-dependent measurements of the medium's charged particle density and two-particle correlations. A cumulant-generating function is first used to parametrize the rapidity dependence of local entropy deposition and extend arbitrary boost-invariant initial conditions to nonzero beam rapidities. The model is then compared to p +Pb and Pb + Pb charged-particle pseudorapidity densities and two-particle pseudorapidity correlations and systematically optimized using Bayesian parameter estimation to extract high-probability initial condition parameters. The optimized initial conditions are then compared to a number of experimental observables including the pseudorapidity-dependent anisotropic flows, event-plane decorrelations, and flow correlations. We find that the form of the initial local longitudinal entropy profile is well constrained by these experimental measurements.

  1. Scanning Tunneling Microscopy of Charge Density Wave Structure in Tantalum Disulfide

    Science.gov (United States)

    Thomson, Ruth Ellen

    I have used a scanning tunneling microscope (STM) to image simultaneously the atomic lattice and the charge density wave (CDW) superstructure in tantalum disulfide (1T-TaS_2) over the temperature range of 370-77K. In the lowest temperature (commensurate) phase, present below 180K, the CDW is at an angle of 13.9 ^circ relative to the lattice and is uniformly commensurate. In the incommensurate phase, present above 353K, the CDW is aligned with the lattice. 1T-TaS_2 exhibits two other phases; the triclinic (T) phase which is present between 223K and 283K upon warming the sample, and the nearly-commensurate (NC) phase which is present between 353K and 180K upon cooling the sample and between 283K and 353K upon warming the sample. In both of these phases, discommensurate models where the CDW is arranged in small commensurate domains have been proposed. In the NC phase the CDW is rotated between 10^circ and 12.5 ^circ relative to the atomic lattice. Such a rotated CDW would create an interference pattern with the underlying atomic lattice regardless of the existence of a true domain superstructure. Previous work on 1T-TaS _2 has not adequately accounted for the possibility of the moire pattern. However, around each fundamental CDW peak in the Fourier transform of the real space STM images, several satellite spots are visible, which conclusively prove the existence of domains in the NC phase. In the T phase, STM images clearly show discommensurations and domains of the CDW which are verified by the satellite spots in the Fourier transform. However, the shape and size of these domains do not agree with those of the stretched honeycomb model proposed by Nakanishi and Shiba, but do agree with the striped model developed by my co-worker B. Burk from his new x-ray diffraction results. In addition, I report on our STM studies of two other CDW materials, blue bronze and o-TaS_3. With blue bronze we obtain STM images of the atomic structure but do not observe the CDW. With o

  2. Efficient gaussian density formulation of volume and surface areas of macromolecules on graphical processing units.

    Science.gov (United States)

    Zhang, Baofeng; Kilburg, Denise; Eastman, Peter; Pande, Vijay S; Gallicchio, Emilio

    2017-04-15

    We present an algorithm to efficiently compute accurate volumes and surface areas of macromolecules on graphical processing unit (GPU) devices using an analytic model which represents atomic volumes by continuous Gaussian densities. The volume of the molecule is expressed by means of the inclusion-exclusion formula, which is based on the summation of overlap integrals among multiple atomic densities. The surface area of the molecule is obtained by differentiation of the molecular volume with respect to atomic radii. The many-body nature of the model makes a port to GPU devices challenging. To our knowledge, this is the first reported full implementation of this model on GPU hardware. To accomplish this, we have used recursive strategies to construct the tree of overlaps and to accumulate volumes and their gradients on the tree data structures so as to minimize memory contention. The algorithm is used in the formulation of a surface area-based non-polar implicit solvent model implemented as an open source plug-in (named GaussVol) for the popular OpenMM library for molecular mechanics modeling. GaussVol is 50 to 100 times faster than our best optimized implementation for the CPUs, achieving speeds in excess of 100 ns/day with 1 fs time-step for protein-sized systems on commodity GPUs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  3. Determining the effective density of airborne nanoparticles using multiple charging correction in a tandem DMA/ELPI setup

    Science.gov (United States)

    Bau, Sébastien; Bémer, Denis; Grippari, Florence; Appert-Collin, Jean-Christophe; Thomas, Dominique

    2014-10-01

    Increasing numbers of workers are exposed to airborne nanoparticles, the health effects of which remain difficult to evaluate. Effective density is considered to be a key characteristic of airborne nanoparticles due to its role in particle deposition in the human respiratory tract and in the conversion of number distributions to mass distributions. Because effective density cannot be measured directly, in this study the electrical mobility and aerodynamic equivalent diameters of airborne nanoparticles were measured simultaneously (tandem DMA/ELPI). Test aerosols consisted of spherical Di-Ethyl-Hexyl-Sebacate nanoparticles produced by nebulization (PALAS AGK 2000). To take into account the presence of multiple-charged particles at the DMA outlet, a theoretical model was developed in which the successive mechanisms undergone by particles are accounted for. Using this model, it is possible to determine the proportion of each population exiting the DMA ( p = 1, 2,…,5 elementary charges) in each channel of the overall ELPI signal. Thus, particle effective density can be estimated for each population. The results indicate that using the ELPI signal alone could lead to significant misevaluation of particle effective density, with biases up to 150 %. However, when the proportion of each population is taken into account, particle effective density is determined within ±15 % of the theoretical value.

  4. Variations of comoving volume and their effects on the star formation rate density

    Science.gov (United States)

    Kim, Sungeun; Physics and Astronomy, Sejong University, Seoul, Korea (the Republic of).

    2018-01-01

    To build a comprehensive picture of star formation in the universe, we havedeveloped an application to calculate the comoving volume at a specific redshift and visualize the changes of spaceand time. The application is based on the star formation rates of about a few thousands of galaxies and their redshiftvalues. Three dimensional modeling of these galaxies using the redshift, comoving volume, and star formation ratesas input data allows calculation of the star formation rate density corresponding to the redshift. This work issupported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIP)(no. 2017037333).

  5. Nanoscale measurement of Nernst effect in two-dimensional charge density wave material 1T-TaS2

    Science.gov (United States)

    Wu, Stephen M.; Luican-Mayer, Adina; Bhattacharya, Anand

    2017-11-01

    Advances in nanoscale material characterization on two-dimensional van der Waals layered materials primarily involve their optical and electronic properties. The thermal properties of these materials are harder to access due to the difficulty of thermal measurements at the nanoscale. In this work, we create a nanoscale magnetothermal device platform to access the basic out-of-plane magnetothermal transport properties of ultrathin van der Waals materials. Specifically, the Nernst effect in the charge density wave transition metal dichalcogenide 1T-TaS2 is examined on nano-thin flakes in a patterned device structure. It is revealed that near the commensurate charge density wave (CCDW) to nearly commensurate charge density wave (NCCDW) phase transition, the polarity of the Nernst effect changes. Since the Nernst effect is especially sensitive to changes in the Fermi surface, this suggests that large changes are occurring in the out-of-plane electronic structure of 1T-TaS2, which are otherwise unresolved in just in-plane electronic transport measurements. This may signal a coherent evolution of out-of-plane stacking in the CCDW → NCCDW transition.

  6. Nanoscale Measurement of Nernst Effect in Two-dimensional Charge Density Wave Material 1T-TaS2

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Stephen M.; Luican-Mayer, Adina; Bhattacharya, Anand

    2017-11-27

    Advances in nanoscale material characterization on two-dimensional van der Waals layered materials primarily involve their optical and electronic properties. The thermal properties of these materials are harder to access due to the difficulty of thermal measurements at the nanoscale. In this work, we create a nanoscale magnetothermal device platform to access the basic out-of-plane magnetothermal transport properties of ultrathin van der Waals materials. Specifically, the Nernst effect in the charge density wave transition metal dichalcogenide 1T-TaS2 is examined on nano-thin flakes in a patterned device structure. It is revealed that near the commensurate charge density wave (CCDW) to nearly commensurate charge density wave (NCCDW) phase transition, the polarity of the Nernst effect changes. Since the Nernst effect is especially sensitive to changes in the Fermi surface, this suggests that large changes are occurring in the out-of-plane electronic structure of 1T-TaS2, which are otherwise unresolved in just in-plane electronic transport measurements. This may signal a coherent evolution of out-of-plane stacking in the CCDW! NCCDW transition.

  7. Spatial distribution of electrons near the Fermi level in the metallic LaB6 through accurate X-ray charge density study

    Science.gov (United States)

    Kasai, Hidetaka; Nishibori, Eiji

    2017-01-01

    Charge densities of iso-structural metal hexaborides, a transparent metal LaB6 and a semiconductor BaB6, have been determined using the d > 0.22 Å ultra-high resolution synchrotron radiation X-ray diffraction data by a multipole refinement and a maximum entropy method (MEM). The quality of the experimental charge densities was evaluated by comparison with theoretical charge densities. The strong inter-octahedral and relatively weak intra-octahedral boron-boron bonds were observed in the charge densities. A difference of valence charge densities between LaB6 and BaB6 was calculated to reveal a small difference between isostructural metal and semiconductor. The weak electron lobes distributed around the inter B6 octahedral bond were observed in the difference density. We found the electron lobes are the conductive π-electrons in LaB6 from the comparison with the theoretical valence charge density. We successfully observed a spatial distribution of electrons near the Fermi level from the X-ray charge density study of the series of iso-structural solids.

  8. Modeling on oxide dependent 2DEG sheet charge density and threshold voltage in AlGaN/GaN MOSHEMT

    Science.gov (United States)

    Panda, J.; Jena, K.; Swain, R.; Lenka, T. R.

    2016-04-01

    We have developed a physics based analytical model for the calculation of threshold voltage, two dimensional electron gas (2DEG) density and surface potential for AlGaN/GaN metal oxide semiconductor high electron mobility transistors (MOSHEMT). The developed model includes important parameters like polarization charge density at oxide/AlGaN and AlGaN/GaN interfaces, interfacial defect oxide charges and donor charges at the surface of the AlGaN barrier. The effects of two different gate oxides (Al2O3 and HfO2) are compared for the performance evaluation of the proposed MOSHEMT. The MOSHEMTs with Al2O3 dielectric have an advantage of significant increase in 2DEG up to 1.2 × 1013 cm-2 with an increase in oxide thickness up to 10 nm as compared to HfO2 dielectric MOSHEMT. The surface potential for HfO2 based device decreases from 2 to -1.6 eV within 10 nm of oxide thickness whereas for the Al2O3 based device a sharp transition of surface potential occurs from 2.8 to -8.3 eV. The variation in oxide thickness and gate metal work function of the proposed MOSHEMT shifts the threshold voltage from negative to positive realizing the enhanced mode operation. Further to validate the model, the device is simulated in Silvaco Technology Computer Aided Design (TCAD) showing good agreement with the proposed model results. The accuracy of the developed calculations of the proposed model can be used to develop a complete physics based 2DEG sheet charge density and threshold voltage model for GaN MOSHEMT devices for performance analysis.

  9. Relativistic mean field theory with density dependent coupling constants for nuclear matter and finite nuclei with large charge asymmetry

    Energy Technology Data Exchange (ETDEWEB)

    Typel, S.; Wolter, H.H. [Sektion Physik, Univ. Muenchen, Garching (Germany)

    1998-06-01

    Nuclear matter and ground state properties for (proton and neutron) semi-closed shell nuclei are described in relativistic mean field theory with coupling constants which depend on the vector density. The parametrization of the density dependence for {sigma}-, {omega}- and {rho}-mesons is obtained by fitting to properties of nuclear matter and some finite nuclei. The equation of state for symmetric and asymmetric nuclear matter is discussed. Finite nuclei are described in Hartree approximation, including a charge and an improved center-of-mass correction. Pairing is considered in the BCS approximation. Special attention is directed to the predictions for properties at the neutron and proton driplines, e.g. for separation energies, spin-orbit splittings and density distributions. (orig.)

  10. Exploring the rare S-H...S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid.

    Science.gov (United States)

    Pavan, Mysore S; Sarkar, Sounak; Row, Tayur N Guru

    2017-08-01

    Experimental and theoretical charge density analyses on isomers of mercaptobenzoic acid have been carried out to quantify the hydrogen bonding of the hitherto less explored thiols, to assess the strength of the interactions using the topological features of the electron density. The electron density study offers interesting insights into the nature of the S-H...S interaction. The interaction energy is comparable with that of a weak hydrogen bond. The strength and directionality of the S-H...S hydrogen bond is demonstrated to be mainly due to the conformation locking potential of the intramolecular S...O chalcogen bond in 2-mercaptobenzoic acid and is stronger than in 3-mercaptobenzoic acid, which lacks the intramolecular S...O bond. The para-substituted mercaptobenzoic acid depicts a type I S...S interaction.

  11. The nematicity induced d-symmetry charge density wave in electron-doped iron-pnictide superconductors

    Science.gov (United States)

    Chou, Chung-Pin; Chen, Hong-Yi; Ting, C. S.

    2018-03-01

    The interplay among the nematicity, the stripe spin-density-wave (SDW) order and superconductivity in iron-pnictides is studied in a self-consistent Bogoliubov-de Gennes equations. Our calculations have shown that the nematic-order breaks the degeneracy of dxz and dyz orbitals and causes the elliptic Fermi surface near the Γ point in the normal state. In addition, the appearance of the orthorhombic magnetic fluctuations generates two uneven pairs of peaks at ( ± π, 0) and (0, ± π) in its Fourier transformation. All these are comparing favorably with experimental measurements. In the nematic phase, our results indicate that the charge density and its spatial image in the local density of states exhibit a dx2 -y2-like symmetry. Finally, the complete phase diagram is obtained and the nematic phase is found to be in a narrow region close to the SDW transition in the electron-doped iron-pnictide superconductors.

  12. Femtosecond x rays link melting of charge-density wave correlations and light-enhanced coherent transport in YB a2C u3O6.6

    Science.gov (United States)

    Först, M.; Frano, A.; Kaiser, S.; Mankowsky, R.; Hunt, C. R.; Turner, J. J.; Dakovski, G. L.; Minitti, M. P.; Robinson, J.; Loew, T.; Le Tacon, M.; Keimer, B.; Hill, J. P.; Cavalleri, A.; Dhesi, S. S.

    2014-11-01

    We use femtosecond resonant soft x-ray diffraction to measure the optically stimulated ultrafast changes of charge-density wave correlations in underdoped YB a2C u3O6.6 . We find that when coherent interlayer transport is enhanced by optical excitation of the apical oxygen distortions, at least 50% of the in-plane charge-density wave order is melted. These results indicate that charge ordering and superconductivity may be competing up to the charge ordering transition temperature, with the latter becoming a hidden phase that is accessible only by nonlinear phonon excitation.

  13. Slow relaxation dynamics of a mononuclear Er(iii) complex surrounded by a ligand environment with anisotropic charge density.

    Science.gov (United States)

    Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Lee, Han Geul; Yang, Mino; Hong, Chang Seop

    2017-01-17

    Two sets of isostructural mononuclear compounds, [Ln(LOMe)2(H2O)2](PF6) [1, Ln = Er; 3, Ln = Gd; LOMe = CpCo{P(O)(O(CH3))2}3] and Ln(LOMe)2(NO3) (2, Ln = Er and 4, Ln = Gd), are synthesized by self-assembly of the respective lanthanide ions and tripodal chelate ligands. The Ln ions are encircled by two LOMe ligands, and two water molecules or one nitrate anion. Each octacoordinated Ln center adopts a distorted square antiprism geometry. The Er complex (2) chelated by a nitrate anion shows slow dynamics in magnetic relaxation, diagnostic of a single-ion magnet. Quantum tunneling in 2 is effectively blocked by application of an external field. Weak intermolecular magnetic interactions occur in 2, and are supported by the magnetic behavior of 4. Chemical dilution of Er with the diamagnetic Y ion can nullify magnetic interactions and suppress quantum tunneling. Generation of slow relaxation dynamics in the Er system is related to the anisotropic charge distribution supplied by the coordination of ligands with different charge densities, as observed in the Dy analogue. This suggests that magnetic anisotropy arises in a coordination system when an anisotropic lanthanide ion (Dy and Er) is surrounded by a ligand environment with anisotropic charge density, resulting in slow magnetic relaxation.

  14. Prostate cancer volume associates with preoperative plasma levels of testosterone that independently predicts high grade tumours which show low densities (quotient testosterone/tumour volume

    Directory of Open Access Journals (Sweden)

    Antonio B. Porcaro

    2016-01-01

    Conclusion: The investigation shows that TT relates to volume and grade of PCa; moreover, the density of TT relative to TV inversely associates with rate of increase of cancer that depends on the grade of the tumour.

  15. Energy level alignment at metal/organic semiconductor interfaces: "pillow" effect, induced density of interface states, and charge neutrality level.

    Science.gov (United States)

    Vázquez, H; Dappe, Y J; Ortega, J; Flores, F

    2007-04-14

    A unified model, embodying the "pillow" effect and the induced density of interface states (IDIS) model, is presented for describing the level alignment at a metal/organic interface. The pillow effect, which originates from the orthogonalization of the metal and organic wave functions, is calculated using a many-body linear combination of atomic orbitals Hamiltonian, whereby electron long-range interactions are obtained using an expansion in the metal/organic wave function overlap, while the electronic charge of both materials remains unchanged. This approach yields the pillow dipole and represents the first effect induced by the metal/organic interaction, resulting in a reduction of the metal work function. In a second step, we consider how charge is transferred between the metal and the organic material by means of the IDIS model: Charge transfer is determined by the relative position of the metal work function (corrected by the pillow effect) and the organic charge neutrality level, as well as by an interface parameter S, which measures how this potential difference is screened. In our approach, we show that the combined IDIS-pillow effects can be described in terms of the original IDIS alignment corrected by a screened pillow dipole. For the organic materials considered in this paper, we see that the IDIS dipole already represents most of the realignment induced at the metal/organic interface. We therefore conclude that the pillow effect yields minor corrections to the IDIS model.

  16. Hydrodynamic modeling of NOM transport in UF: effects of charge density and ionic strength on effective size and sieving.

    Science.gov (United States)

    Yuan, Yanxiao; Kilduff, James E

    2009-07-15

    The transport behavior of natural organic matter (NOM) across polyethersulfone (PES) UF membranes having a range of nominal molecularweight cutoffs (MWCOs) was investigated and described with a hydrodynamic transport model. Transport of whole NOM and NOM fractionated on an anion exchange resin (IRA 958) was measured to investigate the impact of NOM size and charge density. It was found that the dominant transport mechanism, characterized by the membrane Peclet number, depended on the membrane MWCO, and transitioned from diffusion to convection at a MWCO of about 10 kDa. Increasing ionic strength significantly decreased the effective solute radius and decreased the observed rejection of charged NOM fractions, whereas no significant change was seen for neutral fractions. Using an available theoretical model for partitioning of charged solutes, the effect of ionic strength on the electrical double layer thickness can account for the observed changes in effective solute radius. These results provide insight into the role of solute charge and electrostatic interactions in NOM transport behavior.

  17. Adipose tissue depot volume relationships with spinal trabecular bone mineral density in African Americans with diabetes.

    Science.gov (United States)

    Chan, Gary C; Divers, Jasmin; Russell, Gregory B; Langefeld, Carl D; Wagenknecht, Lynne E; Xu, Jianzhao; Smith, S Carrie; Bowden, Donald W; Register, Thomas C; Carr, J Jeffrey; Lenchik, Leon; Freedman, Barry I

    2018-01-01

    Changes in select adipose tissue volumes may differentially impact bone mineral density. This study was performed to assess cross-sectional and longitudinal relationships between computed tomography-determined visceral (VAT), subcutaneous (SAT), inter-muscular (IMAT), and pericardial adipose tissue (PAT) volumes with respective changes in thoracic vertebral and lumbar vertebral volumetric trabecular bone mineral density (vBMD) in African Americans with type 2 diabetes. Generalized linear models were fitted to test relationships between baseline and change in adipose volumes with change in vBMD in 300 African American-Diabetes Heart Study participants; adjustment was performed for age, sex, diabetes duration, study interval, smoking, hypertension, BMI, kidney function, and medications. Participants were 50% female with mean ± SD age 55.1±9.0 years, diabetes duration 10.2±7.2 years, and BMI 34.7±7.7 kg/m2. Over 5.3 ± 1.4 years, mean vBMD decreased in thoracic/lumbar spine, while mean adipose tissue volumes increased in SAT, IMAT, and PAT, but not VAT depots. In fully-adjusted models, changes in lumbar and thoracic vBMD were positively associated with change in SAT (β[SE] 0.045[0.011], p<0.0001; 0.40[0.013], p = 0.002, respectively). Change in thoracic vBMD was positively associated with change in IMAT (p = 0.029) and VAT (p = 0.016); and change in lumbar vBMD positively associated with baseline IMAT (p<0.0001). In contrast, vBMD was not associated with change in PAT. After adjusting for BMI, baseline and change in volumes of select adipose depots were associated with increases in thoracic and lumbar trabecular vBMD in African Americans. Effects of adiposity on trabecular bone appear to be site-specific and related to factors beyond mechanical load.

  18. Competition between antiferromagnetic and charge-density-wave order in the half-filled Hubbard-Holstein model.

    Science.gov (United States)

    Nowadnick, E A; Johnston, S; Moritz, B; Scalettar, R T; Devereaux, T P

    2012-12-14

    We present a determinant quantum Monte Carlo study of the competition between instantaneous on-site Coulomb repulsion and retarded phonon-mediated attraction between electrons, as described by the two-dimensional Hubbard-Holstein model. At half filling, we find a strong competition between antiferromagnetism (AFM) and charge-density-wave (CDW) order. We demonstrate that a simple picture of AFM-CDW competition that incorporates the phonon-mediated attraction into an effective-U Hubbard model requires significant refinement. Specifically, retardation effects slow the onset of charge order so that CDW order remains absent even when the effective U is negative. This delay opens a window where neither AFM nor CDW order is well established and where there are signatures of a possible metallic phase.

  19. Coexistence of superconductivity and charge-density waves in a two-dimensional Holstein model at half-filling

    Energy Technology Data Exchange (ETDEWEB)

    Sykora, Steffen; Huebsch, Arnd; Becker, Klaus W. [Institut fuer Theoretische Physik, Technische Universitaet Dresden, 01062 Dresden (Germany)

    2008-07-01

    The competition of charge-density waves (CDW) and superconductivity (SC) is studied in a two-dimensional half-filled Holstein model by use of the projector-based renormalization method (PRM). As is well known, in one dimension the coupling of electrons to phonons leads to a transition from a metallic to a Peierls distorted insulated state when the coupling exceeds a critical value. On the other hand, in two dimensions the electron-phonon interaction may also be responsible for the formation of Cooper pairs. In this paper, the competing influence of superconductivity and charge order will be discussed for two dimensions. The PRM not only allows to study SC and CDW correlation functions but gives direct access to the order parameters.

  20. Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo.

    Science.gov (United States)

    Cox, Stephen J; Towler, Michael D; Alfè, Dario; Michaelides, Angelos

    2014-05-07

    High quality reference data from diffusion Monte Carlo calculations are presented for bulk sI methane hydrate, a complex crystal exhibiting both hydrogen-bond and dispersion dominated interactions. The performance of some commonly used exchange-correlation functionals and all-atom point charge force fields is evaluated. Our results show that none of the exchange-correlation functionals tested are sufficient to describe both the energetics and the structure of methane hydrate accurately, while the point charge force fields perform badly in their description of the cohesive energy but fair well for the dissociation energetics. By comparing to ice Ih, we show that a good prediction of the volume and cohesive energies for the hydrate relies primarily on an accurate description of the hydrogen bonded water framework, but that to correctly predict stability of the hydrate with respect to dissociation to ice Ih and methane gas, accuracy in the water-methane interaction is also required. Our results highlight the difficulty that density functional theory faces in describing both the hydrogen bonded water framework and the dispersion bound methane.

  1. Functional evaluation of corneal endothelium by combined measurement of corneal volume alteration and cell density after phacoemulsification.

    Science.gov (United States)

    Suzuki, Hisaharu; Oki, Kotaro; Takahashi, Keizo; Shiwa, Toshihiko; Takahashi, Hiroshi

    2007-12-01

    To assess a new method of functional evaluation of corneal endothelium using combined measurement of corneal volume alteration and cell density (CD) after phacoemulsification. Nippon Medical School Hospital, Tokyo, Japan. Phacoemulsification was performed in 28 cases. The corneal volume within 3.0 mm and 10.0 mm circles of the cornea was measured using Scheimpflug imaging (Pentacam, Oculus, Inc.) and the cell density, using specular microscopy (Noncon Robo, Konan Medical). The volume stress index (VSI), a parameter for measuring functional evaluation, was calculated by dividing the volume increase within the 3.0 mm circle (preoperative corneal volume - corneal volume at time of measurement) by the central cell density value. The resulting value is indicative of the amount of postoperative increase in corneal volume with which each corneal endothelial cell should be able to cope. Three months after surgery, the 3.0 mm corneal volume returned to preoperative values, while the 10.0 mm corneal volume remained significantly higher than preoperatively. The cell density values did not significantly change throughout the study. The VSI showed a significant decrease by 7 days after surgery followed by a gradual decrease until the end of the study. At 3 months, the VSI value was significantly smaller than at 1 day. The corneal volume increase after surgery may be indicative of the degree of the endothelial damage in the area; thus, the VSI may be useful in the functional assessment of the corneal endothelium.

  2. Non Destructive Method for Biomass Prediction Combining TLS Derived Tree Volume and Wood Density

    Directory of Open Access Journals (Sweden)

    Jan Hackenberg

    2015-04-01

    Full Text Available This paper presents a method for predicting the above ground leafless biomass of trees in a non destructive way. We utilize terrestrial laserscan data to predict the volume of the trees. Combining volume estimates with density measurements leads to biomass predictions. Thirty-six trees of three different species are analyzed: evergreen coniferous Pinus massoniana, evergreen broadleaved Erythrophleum fordii and leafless deciduous Quercus petraea. All scans include a large number of noise points; denoising procedures are presented in detail. Density values are considered to be a minor source of error in the method if applied to stem segments, as comparison to ground truth data reveals that prediction errors for the tree volumes are in accordance with biomass prediction errors. While tree compartments with a diameter larger than 10 cm can be modeled accurately, smaller ones, especially twigs with a diameter smaller than 4 cm, are often largely overestimated. Better prediction results could be achieved by applying a biomass expansion factor to the biomass of compartments with a diameter larger than 10 cm. With this second method the average prediction error for Q. petraea could be reduced from 33.84% overestimation to 3.56%. E. fordii results could also be improved reducing the average prediction error from

  3. Experimental charge density studies of disordered N-phenylpyrrole and N-(4-fluorophenyl)pyrrole.

    Science.gov (United States)

    Meindl, Kathrin; Henn, Julian; Kocher, Nikolaus; Leusser, Dirk; Zachariasse, Klaas A; Sheldrick, George M; Koritsanszky, Tibor; Stalke, Dietmar

    2009-09-03

    The static electron densities of the title compounds were extracted from high-resolution X-ray diffraction data using the nucleus-centered finite multipole expansion technique. The interpretation of the data collected for the N-phenylpyrrole crystal revealed a static disorder that could be successfully resolved within the aspherical-atom formalism. The local and integrated topological properties of the density obtained via a constrained multipole refinement are in statistical agreement with those calculated at the B3LYP/cc-pVTZ level of theory for the isolated molecule and for those derived from the experimental density of the para-fluorinated derivative N-(4-fluorophenyl)pyrrole. The topological analysis of the densities indicates neither pyramidal character of the pyrrole N-atom nor a quinoidal structure of the phenyl rings in either molecule. The fluorine substitution appears to have only a minor effect on the density of the remaining constituents but it results in markedly different features of the electrostatic potential of the two compounds. The consistency of the multipole refinement is validated by residual density analysis.

  4. Species richness, habitable volume, and species densities in freshwater, the sea, and on land

    Directory of Open Access Journals (Sweden)

    Michael N Dawson

    2012-09-01

    Full Text Available Approximately 0.5–2.0 million eukaryotic species inhabit the seas, whereas 2.0–10.0 million inhabit freshwater or the land. Much has been made of this several-fold difference in species richness but there is little consensus about the causes. Here, I ask a related question: what is the relative density of species in marine and non-marine realms? I use recent estimates of global eukaryotic species richness and published estimates of the areal coverage and depth of habitat for freshwater, marine, and terrestrial biomes. I find that the marine realm harbors ~99.83% of the habitable volume on this planet. Eukaryotic species density of the marine realm is ~3600-fold (i.e., 3-4 orders of magnitude less than that of non-marine environments. Species–volume relationships (SVRs help reconcile actinopterygian fish diversity with global primary productivity and emphasize the interacting roles of abiotic and biotic complexity in shaping patterns of biodiversity in freshwater, the sea, and on land. Comparing SVRs of habitats within and across realms may help resolve the factors and interactions that influence species density.

  5. Market Competition and Density in Liver Transplantation: Relationship to Volume and Outcomes.

    Science.gov (United States)

    Adler, Joel T; Yeh, Heidi; Markmann, James F; Nguyen, Louis L

    2015-08-01

    Liver transplantation centers are unevenly distributed within the Donor Service Areas (DSAs) of the United States. This study assessed how market competition and liver transplantation center density are associated with liver transplantation volume within individual DSAs. We conducted a retrospective cohort study of 53,156 adult liver transplants in 45 DSAs with 110 transplantation centers identified from the Scientific Registry of Transplant Recipients between 2003 and 2012. The following measures were derived annually for each DSA: market competition using the Herfindahl Hirschman Index, transplantation center density by the Average Nearest Neighbor method, liver quality by the Liver Donor Risk Index, and patient risk by the Model for End-Stage Liver Disease. A hierarchical mixed effects negative binomial regression model of the relationship between liver transplants and market factors was created annually. Patient and graft survival were investigated with a Cox proportional hazards model. Transplantation center density was associated with market competition (p market competition (IRR = 1.36; p = 0.02), increased listings (IRR = 1.14; p market variables were associated with increased mortality after transplantation. After controlling for demographic and market factors, a greater concentration of centers was associated with more liver transplants without impacting overall survival. These results warrant additional investigation into the relationship between geospatial factors and liver transplantation volume with consideration for the optimization of scarce resources. Copyright © 2015 American College of Surgeons. Published by Elsevier Inc. All rights reserved.

  6. Charged hadrons in local finite-volume QED+QCD with C{sup ⋆} boundary conditions

    Energy Technology Data Exchange (ETDEWEB)

    Lucini, B. [Physics Department, College of Science, Swansea University,Singleton Park, Swansea SA2 8PP (United Kingdom); Patella, A. [PH-TH, CERN,CH-1211 Geneva 23 (Switzerland); School of Computing and Mathematics & Centre for Mathematical Science, Plymouth University,Plymouth PL4 8AA (United Kingdom); Ramos, A. [PH-TH, CERN,CH-1211 Geneva 23 (Switzerland); Tantalo, N. [Dipartimento di Fisica and INFN, Università di Roma “Tor Vergata”,Via della Ricerca Scientifica 1, I-00133 Roma (Italy); PH-TH, CERN,CH-1211 Geneva 23 (Switzerland)

    2016-02-11

    In order to calculate QED corrections to hadronic physical quantities by means of lattice simulations, a coherent description of electrically-charged states in finite volume is needed. In the usual periodic setup, Gauss’s law and large gauge transformations forbid the propagation of electrically-charged states. A possible solution to this problem, which does not violate the axioms of local quantum field theory, has been proposed by Wiese and Polley, and is based on the use of C{sup ⋆} boundary conditions. We present a thorough analysis of the properties and symmetries of QED in isolation and QED coupled to QCD, with C{sup ⋆} boundary conditions. In particular we learn that a certain class of electrically-charged states can be constructed in a fully consistent fashion without relying on gauge fixing and without peculiar complications. This class includes single particle states of most stable hadrons. We also calculate finite-volume corrections to the mass of stable charged particles and show that these are much smaller than in non-local formulations of QED.

  7. An X-ray diffraction investigation of the charge density wave transition at the NbSe2 surface

    OpenAIRE

    Murphy, Bridget M.

    2004-01-01

    Niobium diselenide 2H-NbSe2 is a van der Waals bonded layered structure, which undergoes a charge density wave transition (CDW). We have investigated the CDW transition in NbSe2 using grazing incidence X-ray diffraction. The evolution of a satellite reflection associated with the CDW has been observed above and below the critical angle of total external reflection in order to carry out a direct comparison between the surface and bulk behaviour. We successfully isolated the surface CDW structu...

  8. Optical Properties of the Charge-Density-Wave Polychalcogenide Compounds R2Te5 (R=Nd, Sm and Gd)

    Energy Technology Data Exchange (ETDEWEB)

    Pfuner, F.; Degiorgi, L.; /Zurich, ETH; Shin, K.Y.; Fisher, I.R.; /Stanford U., Geballe Lab.

    2010-02-15

    We investigate the rare-earth polychalcogenide R{sub 2}Te{sub 5} (R = Nd, Sm and Gd) charge-density-wave (CDW) compounds by optical methods. From the absorption spectrum we extract the excitation energy of the CDW gap and estimate the fraction of the Fermi surface which is gapped by the formation of the CDW condensate. In analogy to previous findings on the related RTe{sub n} (n = 2 and 3) families, we establish the progressive closing of the CDW gap and the moderate enhancement of the metallic component upon chemically compressing the lattice.

  9. Pressure-induced quenching of the charge-density-wave state observed by x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Sacchetti, A.

    2010-05-03

    We report an x-ray diffraction study on the charge-density-wave (CDW) LaTe{sub 3} and CeTe{sub 3} compounds as a function of pressure. We extract the lattice constants and the CDW modulation wave-vector, and provide direct evidence for a pressure-induced quenching of the CDW phase. We observe subtle differences between the chemical and mechanical compression of the lattice. We account for these with a scenario where the effective dimensionality in these CDW systems is dependent on the type of lattice compression and has a direct impact on the degree of Fermi surface nesting and on the strength of fluctuation effects.

  10. Quantum lattice fluctuations in a 1-dimensional charge-density-wave material: Luminescence and resonance Raman studies of an MX solid

    Energy Technology Data Exchange (ETDEWEB)

    Long, F.H.; Love, S.P.; Swanson, B.I.

    1993-01-01

    Luminescence spectra, both emission and excitation, and the excitation dependence of the resonance Raman (RR) spectra were measured for a 1-dimensional charge-density-wave solid, [Pt(L)[sub 2]Cl[sub 2

  11. Family History Density of Alcoholism Relates to Left Nucleus Accumbens Volume in Adolescent Girls

    Science.gov (United States)

    Cservenka, Anita; Gillespie, Alicia J; Michael, Paul G; Nagel, Bonnie J

    2015-01-01

    Objective: A family history of alcoholism is a significant risk factor for the development of alcohol use disorders (AUDs). Because common structural abnormalities are present in reward and affective brain regions in alcoholics and those with familial alcoholism, the current study examined the relationship between familial loading of AUDs and volumes of the amygdala and nucleus accumbens (NAcc) in largely alcohol-naive adolescents, ages 12–16 years (N = 140). Method: The amygdala and NAcc were delineated on each participant’s T1-weighted anatomical scan, using FMRIB Software Library’s FMRIB Integrated Registration & Segmentation Tool, and visually inspected for accuracy and volume outliers. In the 140 participants with accurate segmentation (75 male/65 female), subcortical volumes were represented as a ratio to intracranial volume (ICV). A family history density (FHD) score was calculated for each adolescent based on the presence of AUDs in first- and second-degree relatives (range: 0.03–1.50; higher scores represent a greater prevalence of familial AUDs). Multiple regressions, with age and sex controlled for, examined the association between FHD and left and right amygdala and NAcc volume/ICV. Results: There was a significant positive relationship between FHD and left NAcc volume/ICV (ΔR2 = .04, p = .02). Post hoc regressions indicated that this effect was only significant in females (ΔR2 = .11, p = .006). Conclusions: This finding suggests that the degree of familial alcoholism, genetic or otherwise, is associated with alterations in reward-related brain structure. Further work will be necessary to examine whether FHD is related to future alcohol-related problems and reward-related behaviors. PMID:25486393

  12. Family history density of alcoholism relates to left nucleus accumbens volume in adolescent girls.

    Science.gov (United States)

    Cservenka, Anita; Gillespie, Alicia J; Michael, Paul G; Nagel, Bonnie J

    2015-01-01

    A family history of alcoholism is a significant risk factor for the development of alcohol use disorders (AUDs). Because common structural abnormalities are present in reward and affective brain regions in alcoholics and those with familial alcoholism, the current study examined the relationship between familial loading of AUDs and volumes of the amygdala and nucleus accumbens (NAcc) in largely alcohol-naive adolescents, ages 12-16 years (N = 140). The amygdala and NAcc were delineated on each participant's T1-weighted anatomical scan, using FMRIB Software Library's FMRIB Integrated Registration & Segmentation Tool, and visually inspected for accuracy and volume outliers. In the 140 participants with accurate segmentation (75 male/65 female), subcortical volumes were represented as a ratio to intracranial volume (ICV). A family history density (FHD) score was calculated for each adolescent based on the presence of AUDs in first- and second-degree relatives (range: 0.03-1.50; higher scores represent a greater prevalence of familial AUDs). Multiple regressions, with age and sex controlled for, examined the association between FHD and left and right amygdala and NAcc volume/ICV. There was a significant positive relationship between FHD and left NAcc volume/ICV (ΔR² = .04, p = .02). Post hoc regressions indicated that this effect was only significant in females (ΔR² = .11, p = .006). This finding suggests that the degree of familial alcoholism, genetic or otherwise, is associated with alterations in reward-related brain structure. Further work will be necessary to examine whether FHD is related to future alcohol-related problems and reward-related behaviors.

  13. The density functional study of electronic structure, electronic charge density, linear and nonlinear optical properties of single crystal alpha-LiAlTe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H. [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Khan, Wilayat, E-mail: walayat76@gmail.com [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic)

    2014-04-01

    Highlights: • FP-LAPW technique is used for calculating the electronic structure. • The band structure shows that the calculated compound is semiconductor. • The complex dielectric function has been calculated. • Nonlinear optical properties has also been calculated. • This compound can be used for molecular engineering of the crystals. - Abstract: Self-consistent calculations is performed using the full potential linear augmented plane wave (FP-LAPW) technique based on density functional theory (DFT) to investigate the electronic band structure, density of states, electronic charge density, linear and non-linear optical properties of α-LiAlTe{sub 2} compound having tetragonal symmetry with space group I4{sup ¯}2d. The electronic structure are calculated using the Ceperley Alder local density approach (CA-LDA), Perdew Burke and Ernzerhof generalize gradient approach (PBE-GGA), Engel–Vosko generalize gradient approach (EVGGA) and modified Becke Johnson approach (mBJ). Band structure calculations of (α-LiAlTe{sub 2}) depict semiconducting nature with direct band gap of 2.35 eV (LDA), 2.48 eV (GGA), 3.05 eV (EVGGA) and 3.13 eV (mBJ), which is comparable to experimental value. The calculated electronic charge density show ionic interaction between Te and Li atoms and polar covalent interaction between Al and Te atoms. Some optical susceptibilities like dielectric constants, refractive index, extension co-efficient, reflectivity and energy loss function have been calculated and analyzed on the basis of electronic structure. The compound α-LiAlTe{sub 2} provides a considerable negative value of birefringence of −0.01. Any anisotropy observed in the linear optical properties which are in favor to enhance the nonlinear optical properties. The symbol χ{sub abc}{sup (2)}(ω) represents the second order nonlinear optical susceptibilities, possess six non-zero components in this symmetry (tetragonal), called: 1 2 3, 2 1 3, 2 3 1, 1 3 2, 3 1 2 and 3 2 1

  14. The effects of ligand valency and density on the targeting ability of multivalent nanoparticles based on negatively charged chitosan nanoparticles.

    Science.gov (United States)

    Cao, Jing; Zhang, Yahui; Wu, Yukun; Wu, Jing; Wang, Wei; Wu, Qiang; Yuan, Zhi

    2018-01-01

    It has been shown that multivalent ligands could significantly enhance the binding avidity compared with the monovalent ones; therefore, once incorporated into nanoparticles, they promote superior targeting ability without increasing the ligand density. Although ligand valency and density play a key role on the targeting ability of corresponding nanoparticles, these facotrs remain largely unexplored and detailed studies are lacking. Herein, a series of multivalent ligands with certain valencies (FAn, n indicates the valency of ligand: n=3, 5, 7) has been conveniently synthesized by conjugating different copies of folate ligands with poly(acrylic acid) (PAA). Negatively charged chitosan nanoparticles (CTS-SA NPs) have been utilized as proper multivalent platforms because they can strongly suppress non-specific protein adsorption and cellular uptake without interfering with the targeting ability of multivalent ligands. Subsequently, the structure of CTS-SA NPs has been modified using different amounts of FAn to form multivalent nanoparticles (FAn-CTS-SA NPs) with various valencies and densities. A series of specific investigations of them suggested that the cellular uptake of multivalent nanoparticles has largely varied with the ligand valency variation even at similar ligand densities; and also largely varied with ligand density variation even at the same ligand valencies. The intermediate valency and density values determined in the current study (ie., 5 and 2.4wt%, respectively) have provided the best cellular uptake, facilitating superior targeting ability at relatively low ligand valency and density. Unexpectedly, no conspicuous difference has been observed during endocytotic inhibition assays with single inhibitors, which may be attributed to the synergetic endocytotic mechanism with multiple pathways of multivalent nanoparticles. The optimal multivalent nanoparticles have also exhibited excellent biocompatibility, long-term stability in vitro and enhanced

  15. Centrality dependence of the pseudorapidity density distribution for charged particles in Pb–Pb collisions at √SNN = 5.02 TeV

    NARCIS (Netherlands)

    Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahmad, S.; Ahn, S. U.; Aiola, S.; Akindinov, A.; Alam, S. N.; Albuquerque, D. S. D.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Janssen, M M; Andrei, C.; Andrews, H. A.; Andronic, A.; Anguelov, V.; Anson, C. D.; Antičić, T.; Antinori, F.; Antonioli, P.; Anwar, R.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arnaldi, R.; Arnold, O. W.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barioglio, L.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.|info:eu-repo/dai/nl/411263188; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Beltran, L. G. E.; Belyaev, V.; Bencedi, G.; Beole, S.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.|info:eu-repo/dai/nl/371577810; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.|info:eu-repo/dai/nl/371578248; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biro, G.; Biswas, R.; Biswas, S.; Blair, J. T.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Boldizsár, L.; Bombara, M.; Bonora, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Botta, E.; Bourjau, C.; Braun-Munzinger, P.; Bregant, M.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buhler, P.; Iga Buitron, S. A.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Cabala, J.; Caffarri, D.; Caines, H.; Caliva, A.|info:eu-repo/dai/nl/411885812; Calvo Villar, E.; Camerini, P.; Capon, A. A.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A R; Ceballos Sanchez, C.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chauvin, A.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Cho, Sukhee; Chochula, P.; Choi, K.; Chojnacki, M.|info:eu-repo/dai/nl/411888056; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crkovská, J.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danisch, M. C.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; Dasgupta, S. S.; De Caro, A.; De Cataldo, G.; De Conti, C.; De Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; De Souza, R. Derradi; Degenhardt, H. F.; Deisting, A.; Deloff, A.; Deplano, C.; Dhankher, P.; Di Bari, D.; Di Mauro, A.; Di Nezza, P.; Di Ruzza, B.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, O.; Dobrin, A.|info:eu-repo/dai/nl/372618715; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.|info:eu-repo/dai/nl/355502488; Ducroux, L.; Duggal, A. K.; Dupieux, P.; Ehlers, R. 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C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhang, C.; Zhang, Z.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zimmermann, S.; Zinovjev, G.; Zmeskal, J.

    2017-01-01

    We present the charged-particle pseudorapidity density in Pb–Pb collisions at √SNN = 5.02 TeV in centrality classes measured by ALICE. The measurement covers a wide pseudorapidity range from −3.5 to 5, which is sufficient for reliable estimates of the total number of charged particles produced in

  16. High charge carrier density at the NaTaO3/SrTiO3 hetero-interface

    KAUST Repository

    Nazir, Safdar

    2011-08-05

    The formation of a (quasi) two-dimensional electron gas between the band insulators NaTaO3 and SrTiO3 is studied by means of the full-potential linearized augmented plane-wave method of density functional theory. Optimization of the atomic positions points to only small changes in the chemical bonding at the interface. Both the p-type (NaO)−/(TiO2)0 and n-type (TaO2)+/(SrO)0 interfaces are found to be metallic with high charge carrier densities. The effects of O vacancies are discussed. Spin-polarized calculations point to the formation of isolated O 2pmagnetic moments, located in the metallic region of the p-type interface.

  17. Pseudorapidity density of charged particles p-Pb collisions at $\\sqrt{s_{NN}}$ = 5.02 TeV

    CERN Document Server

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Bogolyubsky, Mikhail; Boldizsar, Laszlo; Bombara, Marek; Book, Julian; Borel, Herve; Borissov, Alexander; Bossu, Francesco; Botje, Michiel; Botta, Elena; Braidot, Ermes; Braun-Munzinger, Peter; Bregant, Marco; Breitner, Timo Gunther; Browning, Tyler Allen; Broz, Michal; Brun, Rene; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Bufalino, Stefania; Busch, Oliver; Buthelezi, Edith Zinhle; Caballero Orduna, Diego; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calvo Villar, Ernesto; Camerini, Paolo; Canoa Roman, Veronica; Cara Romeo, Giovanni; Carena, Wisla; Carena, Francesco; Carlin Filho, Nelson; Carminati, Federico; Casanova Diaz, Amaya Ofelia; Castillo Castellanos, Javier Ernesto; Castillo Hernandez, Juan Francisco; Casula, Ester Anna Rita; Catanescu, Vasile; Cavicchioli, Costanza; Ceballos Sanchez, Cesar; Cepila, Jan; Cerello, Piergiorgio; Chang, Beomsu; Chapeland, Sylvain; Charvet, Jean-Luc Fernand; Chattopadhyay, Subhasis; Chattopadhyay, Sukalyan; Chawla, Isha; Cherney, Michael Gerard; Cheshkov, Cvetan; Cheynis, Brigitte; Chibante Barroso, Vasco Miguel; Chinellato, David; Chochula, Peter; Chojnacki, Marek; Choudhury, Subikash; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Chung, Suh-Urk; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Coccetti, Fabrizio; Colamaria, Fabio; Colella, Domenico; Collu, Alberto; Conesa Balbastre, Gustavo; Conesa del Valle, Zaida; Connors, Megan Elizabeth; Contin, Giacomo; Contreras, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortese, Pietro; Cortes Maldonado, Ismael; Cosentino, Mauro Rogerio; Costa, Filippo; Cotallo, Manuel Enrique; Crescio, Elisabetta; Crochet, Philippe; Cruz Alaniz, Emilia; Cuautle, Eleazar; Cunqueiro, Leticia; Dainese, Andrea; Dalsgaard, Hans Hjersing; Danu, Andrea; Das, Kushal; Das, Indranil; Das, Supriya; Das, Debasish; Dash, Sadhana; Dash, Ajay Kumar; De, Sudipan; de Barros, Gabriel; De Caro, Annalisa; de Cataldo, Giacinto; de Cuveland, Jan; De Falco, Alessandro; De Gruttola, Daniele; Delagrange, Hugues; Deloff, Andrzej; De Marco, Nora; Denes, Ervin; De Pasquale, Salvatore; Deppman, Airton; D'Erasmo, Ginevra; de Rooij, Raoul Stefan; Diaz Corchero, Miguel Angel; Di Bari, Domenico; Dietel, Thomas; Di Giglio, Carmelo; Di Liberto, Sergio; Di Mauro, Antonio; Di Nezza, Pasquale; Divia, Roberto; Djuvsland, Oeystein; Dobrin, Alexandru Florin; Dobrowolski, Tadeusz Antoni; Donigus, Benjamin; Dordic, Olja; Driga, Olga; Dubey, Anand Kumar; Dubla, Andrea; Ducroux, Laurent; Dupieux, Pascal; Dutta Majumdar, Mihir Ranjan; Dutta Majumdar, AK; Elia, Domenico; Emschermann, David Philip; Engel, Heiko; Erazmus, Barbara; Erdal, Hege Austrheim; Espagnon, Bruno; Estienne, Magali Danielle; Esumi, Shinichi; Evans, David; Eyyubova, Gyulnara; Fabris, Daniela; Faivre, Julien; Falchieri, Davide; Fantoni, Alessandra; Fasel, Markus; Fearick, Roger Worsley; Fehlker, Dominik; Feldkamp, Linus; Felea, Daniel; Feliciello, Alessandro; 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Kim, Taesoo; Kim, Beomkyu; Kim, Jonghyun; Kim, Jin Sook; Kim, Mimae; Kim, Minwoo; Kim, Se Yong; Kim, Dong Jo; Kirsch, Stefan; Kisel, Ivan; Kiselev, Sergey; Kisiel, Adam Ryszard; Klay, Jennifer Lynn; Klein, Jochen; Klein-Bosing, Christian; Kliemant, Michael; Kluge, Alexander; Knichel, Michael Linus; Knospe, Anders Garritt; Kohler, Markus; Kollegger, Thorsten; Kolojvari, Anatoly; Kondratiev, Valery; Kondratyeva, Natalia; Konevskih, Artem; Kour, Ravjeet; Kovalenko, Vladimir; Kowalski, Marek; Kox, Serge; Koyithatta Meethaleveedu, Greeshma; Kral, Jiri; Kralik, Ivan; Kramer, Frederick; Kravcakova, Adela; Krawutschke, Tobias; Krelina, Michal; Kretz, Matthias; Krivda, Marian; Krizek, Filip; Krus, Miroslav; Kryshen, Evgeny; Krzewicki, Mikolaj; Kucheriaev, Yury; Kugathasan, Thanushan; Kuhn, Christian Claude; Kuijer, Paul; Kulakov, Igor; Kumar, Jitendra; Kurashvili, Podist; Kurepin, A; Kurepin, AB; Kuryakin, Alexey; Kushpil, Vasily; Kushpil, Svetlana; Kvaerno, Henning; Kweon, Min Jung; Kwon, Youngil; Ladron de Guevara, Pedro; Lakomov, Igor; Langoy, Rune; La Pointe, Sarah Louise; Lara, Camilo Ernesto; Lardeux, Antoine Xavier; La Rocca, Paola; Lea, Ramona; Lechman, Mateusz; Lee, Ki Sang; Lee, Sung Chul; Lee, Graham Richard; Legrand, Iosif; Lehnert, Joerg Walter; Lenhardt, Matthieu Laurent; Lenti, Vito; Leon, Hermes; Leoncino, Marco; Leon Monzon, Ildefonso; Leon Vargas, Hermes; Levai, Peter; Lien, Jorgen; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Ljunggren, Hans Martin; Loenne, Per-Ivar; Loggins, Vera; Loginov, Vitaly; Lohner, Daniel; Loizides, Constantinos; Loo, Kai Krister; Lopez, Xavier Bernard; Lopez Torres, Ernesto; Lovhoiden, Gunnar; Lu, Xianguo; Luettig, Philipp; Lunardon, Marcello; Luo, Jiebin; Luparello, Grazia; Luzzi, Cinzia; Ma, Ke; Ma, Rongrong; Madagodahettige-Don, Dilan Minthaka; Maevskaya, Alla; Mager, Magnus; Mahapatra, Durga Prasad; Maire, Antonin; Malaev, Mikhail; Maldonado Cervantes, Ivonne Alicia; Malinina, Ludmila; Mal'Kevich, Dmitry; Malzacher, Peter; Mamonov, Alexander; Manceau, Loic Henri Antoine; Mangotra, Lalit Kumar; Manko, Vladislav; Manso, Franck; Manzari, Vito; Mao, Yaxian; Marchisone, Massimiliano; Mares, Jiri; Margagliotti, Giacomo Vito; Margotti, Anselmo; Marin, Ana Maria; Markert, Christina; Marquard, Marco; Martashvili, Irakli; Martin, Nicole Alice; Martinengo, Paolo; Martinez, Mario Ivan; Martinez Davalos, Arnulfo; Martinez Garcia, Gines; Martynov, Yevgen; Mas, Alexis Jean-Michel; Masciocchi, Silvia; Masera, Massimo; Masoni, Alberto; Massacrier, Laure Marie; Mastroserio, Annalisa; Matthews, Zoe Louise; Matyja, Adam Tomasz; Mayer, Christoph; Mazer, Joel; Mazzoni, Alessandra Maria; Meddi, Franco; Menchaca-Rocha, Arturo Alejandro; Mercado Perez, Jorge; Meres, Michal; Miake, Yasuo; Milano, Leonardo; Milosevic, Jovan; Mischke, Andre; Mishra, Aditya Nath; Miskowiec, Dariusz; Mitu, Ciprian Mihai; Mizuno, Sanshiro; Mlynarz, Jocelyn; Mohanty, Bedangadas; Molnar, Levente; Montano Zetina, Luis Manuel; 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Otwinowski, Jacek Tomasz; Oyama, Ken; Ozawa, Kyoichiro; Pachmayer, Yvonne Chiara; Pachr, Milos; Padilla, Fatima; Pagano, Paola; Paic, Guy; Painke, Florian; Pajares, Carlos; Pal, Susanta Kumar; Palaha, Arvinder Singh; Palmeri, Armando; Papikyan, Vardanush; Pappalardo, Giuseppe; Park, Woo Jin; Passfeld, Annika; Pastircak, Blahoslav; Patalakha, Dmitri Ivanovich; Paticchio, Vincenzo; Paul, Biswarup; Pavlinov, Alexei; Pawlak, Tomasz Jan; Peitzmann, Thomas; Pereira Da Costa, Hugo Denis Antonio; Pereira De Oliveira Filho, Elienos; Peresunko, Dmitri; Perez Lara, Carlos Eugenio; Perini, Diego; Perrino, Davide; Peryt, Wiktor Stanislaw; Pesci, Alessandro; Peskov, Vladimir; Pestov, Yury; Petracek, Vojtech; Petran, Michal; Petris, Mariana; Petrov, Plamen Rumenov; Petrovici, Mihai; Petta, Catia; Piano, Stefano; Piccotti, Anna; Pikna, Miroslav; Pillot, Philippe; Pinazza, Ombretta; Pinsky, Lawrence; Pitz, Nora; Piyarathna, Danthasinghe; Planinic, Mirko; Ploskon, Mateusz Andrzej; Pluta, Jan Marian; Pocheptsov, Timur; 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Usai, Gianluca; Vajzer, Michal; Vala, Martin; Valencia Palomo, Lizardo; Vallero, Sara; Vande Vyvre, Pierre; van Leeuwen, Marco; Vannucci, Luigi; Vargas, Aurora Diozcora; Varma, Raghava; Vasileiou, Maria; Vasiliev, Andrey; Vechernin, Vladimir; Veldhoen, Misha; Venaruzzo, Massimo; Vercellin, Ermanno; Vergara, Sergio; Vernet, Renaud; Verweij, Marta; Vickovic, Linda; Viesti, Giuseppe; Vilakazi, Zabulon; Villalobos Baillie, Orlando; Vinogradov, Alexander; Vinogradov, Yury; Vinogradov, Leonid; Virgili, Tiziano; Viyogi, Yogendra; Vodopianov, Alexander; Voloshin, Kirill; Voloshin, Sergey; Volpe, Giacomo; von Haller, Barthelemy; Vorobyev, Ivan; Vranic, Danilo; Vrlakova, Janka; Vulpescu, Bogdan; Vyushin, Alexey; Wagner, Vladimir; Wagner, Boris; Wan, Renzhuo; Wang, Yaping; Wang, Mengliang; Wang, Dong; Wang, Yifei; Watanabe, Kengo; Weber, Michael; Wessels, Johannes; Westerhoff, Uwe; Wiechula, Jens; Wikne, Jon; Wilde, Martin Rudolf; Wilk, Grzegorz Andrzej; Wilk, Alexander; Williams, Crispin; Windelband, Bernd Stefan; Xaplanteris Karampatsos, Leonidas; Yaldo, Chris G; Yamaguchi, Yorito; Yang, Shiming; Yang, Hongyan; Yasnopolsky, Stanislav; Yi, JunGyu; Yin, Zhongbao; Yoo, In-Kwon; Yoon, Jongik; Yu, Weilin; Yuan, Xianbao; Yushmanov, Igor; Zaccolo, Valentina; Zach, Cenek; Zampolli, Chiara; Zaporozhets, Sergey; Zarochentsev, Andrey; Zavada, Petr; Zaviyalov, Nikolai; Zbroszczyk, Hanna Paulina; Zelnicek, Pierre; Zgura, Sorin Ion; Zhalov, Mikhail; Zhang, Haitao; Zhang, Xiaoming; Zhou, Fengchu; Zhou, Daicui; Zhou, You; Zhu, Jianhui; Zhu, Hongsheng; Zhu, Jianlin; Zhu, Xiangrong; Zichichi, Antonino; Zimmermann, Alice; Zinovjev, Gennady; Zoccarato, Yannick Denis; Zynovyev, Mykhaylo; Zyzak, Maksym

    2013-01-01

    The charged-particle pseudorapidity density measured over 4 units of pseudorapidity in non-single-diffractive (NSD) p-Pb collisions at a centre-of-mass energy per nucleon pair $\\sqrt{s_{NN}}$ = 5.02 TeV is presented. The average value at midrapidity is measured to be 16.81 $\\pm$ 0.71 (syst.), which corresponds to 2.14 $\\pm$ 0.17 (syst.) per participating nucleon. This is 16% lower than in NSD pp collisions interpolated to the same collision energy, and 84% higher than in d-Au collisions at $\\sqrt{s_{NN}}$ = 0.2 TeV. The measured pseudorapidity density in p-Pb collisions is compared to model predictions, and provides new constraints on the description of particle production in high-energy nuclear collisions.

  18. A finite volume method for density driven flows in porous media

    Directory of Open Access Journals (Sweden)

    Hilhorst Danielle

    2013-01-01

    Full Text Available In this paper, we apply a semi-implicit finite volume method for the numerical simulation of density driven flows in porous media; this amounts to solving a nonlinear convection-diffusion parabolic equation for the concentration coupled with an elliptic equation for the pressure. We compute the solutions for two specific problems: a problem involving a rotating interface between salt and fresh water and the classical but difficult Henry’s problem. All solutions are compared to results obtained by running FEflow, a commercial software package for the simulation of groundwater flow, mass and heat transfer in porous media.

  19. Charge Compensation and Electrostatic Transferability in Three Entropy Stabilized Oxides: Results from Density Functional Theory Calculations

    Science.gov (United States)

    2016-09-06

    an indi - cator of a high crystal quality thin film with a smooth, abrupt hetero-epitaxial interface. A comparison between film and substrate of the...also similar to those used to incorporate lattice strain effects into the prediction of non-oxide MHEA compositions.1,3 The latter two criteria for the...Plotted in Figure 1 are effective cation radii for þ1, þ2, and þ3 for- mal charges as a function of atomic number for the species in the J14 composition

  20. The relationships between breast volume, breast dense volume and volumetric breast density with body mass index, body fat mass and ethnicity

    Science.gov (United States)

    Zakariyah, N.; Pathy, N. B.; Taib, N. A. M.; Rahmat, K.; Judy, C. W.; Fadzil, F.; Lau, S.; Ng, K. H.

    2016-03-01

    It has been shown that breast density and obesity are related to breast cancer risk. The aim of this study is to investigate the relationships of breast volume, breast dense volume and volumetric breast density (VBD) with body mass index (BMI) and body fat mass (BFM) for the three ethnic groups (Chinese, Malay and Indian) in Malaysia. We collected raw digital mammograms from 2450 women acquired on three digital mammography systems. The mammograms were analysed using Volpara software to obtain breast volume, breast dense volume and VBD. Body weight, BMI and BFM of the women were measured using a body composition analyser. Multivariable logistic regression was used to determine the independent predictors of increased overall breast volume, breast dense volume and VBD. Indians have highest breast volume and breast dense volume followed by Malays and Chinese. While Chinese are highest in VBD, followed by Malay and Indian. Multivariable analysis showed that increasing BMI and BFM were independent predictors of increased overall breast volume and dense volume. Moreover, BMI and BFM were independently and inversely related to VBD.

  1. Density anomaly of charged hard spheres of different diameters in a mixture with core-softened model solvent. Monte Carlo simulation results

    Directory of Open Access Journals (Sweden)

    B. Hribar-Lee

    2013-01-01

    Full Text Available Very recently the effect of equisized charged hard sphere solutes in a mixture with core-softened fluid model on the structural and thermodynamic anomalies of the system has been explored in detail by using Monte Carlo simulations and integral equations theory (J. Chem. Phys., Vol. 137, 244502 (2012. Our objective of the present short work is to complement this study by considering univalent ions of unequal diameters in a mixture with the same soft-core fluid model. Specifically, we are interested in the analysis of changes of the temperature of maximum density (TMD lines with ion concentration for three model salt solutes, namely sodium chloride, potassium chloride and rubidium chloride models. We resort to Monte Carlo simulations for this purpose. Our discussion also involves the dependences of the pair contribution to excess entropy and of constant volume heat capacity on the temperature of maximum density line. Some examples of the microscopic structure of mixtures in question in terms of pair distributions functions are given in addition.

  2. Interaction of bacterial surface layer proteins with lipid membranes: synergysm between surface charge density and chain packing.

    Science.gov (United States)

    Hollmann, Axel; Delfederico, Lucrecia; De Antoni, Graciela; Semorile, Liliana; Disalvo, Edgardo Aníbal

    2010-08-01

    S-layer proteins from Lactobacillus kefir and Lactobacillus brevis are able to adsorb on the surface of positively charged liposomes composed by Soybean lecithin, cholesterol and stearylamine. The different K values for S-layer proteins isolated from L. kefir and L. brevis (4.22 x 10(-3) and 2.45 x 10(2) microM(-1) respectively) indicates that the affinity of the glycosylated protein isolated from L. kefir is higher than the non-glycosylated one. The attachment of S-layer proteins counteracts the electrostatic charge repulsion between stearylamine molecules in the membrane surface, producing an increase in the rigidity in the acyl chains as measured by DPH anisotropy. Laurdan generalized polarization (GP) shows that glycosylated causes a GP increase, attributed to a lowering in water penetration into the head groups of membrane phospholipids, with charge density reduction, while the non-glycosylated does not affect it. The octadecyl-rhodamine results indicate that S-layer coated liposomes do not show spontaneous dequenching in comparison with control liposomes without S-layer proteins, suggesting that S-layer protein avoid spontaneous liposomal fusion. It is concluded that the increase in stability of liposomes coated with S-layers proteins is due to the higher rigidity induced by the S-layer attachment by electrostatic forces. Copyright 2010 Elsevier B.V. All rights reserved.

  3. Charge-constrained auxiliary-density-matrix methods for the Hartree–Fock exchange contribution

    DEFF Research Database (Denmark)

    Merlot, Patrick; Izsak, Robert; Borgoo, Alex

    2014-01-01

    Three new variants of the auxiliary-density-matrix method (ADMM) of Guidon, Hutter, and VandeVondele [J. Chem. Theory Comput. 6, 2348 (2010)] are presented with the common feature thatthey have a simplified constraint compared with the full orthonormality requirement of the earlier ADMM1 method...

  4. A Triphasic Orthotropic Laminate Model for Cartilage Curling Behavior: Fixed Charge Density vs. Mechanical Properties Inhomogeneity

    Science.gov (United States)

    Wan, Leo Q.; Guo, X. Edward; Mow, Van C.

    2010-01-01

    Osmotic pressure and associated residual stresses play important roles in cartilage development and biomechanical function. The curling behavior of articular cartilage was believed to be the combination of results from the osmotic pressure derived from fixed negative charges on proteoglycans and the structural and compositional and material property inhomogeneities within the tissue. In the present study, the in vitro swelling and curling behaviors of thin strips of cartilage were analyzed with a new structural model using the triphasic mixture theory with a collagen-proteoglycan solid matrix composed of a three-layered laminate with each layer possessing a distinct set of orthotropic properties. A conewise linear elastic matrix was also incorporated to account for the well-known tension-compression nonlinearity of the tissue. This model can account, for the first time, for the swelling-induced curvatures found in published experimental results on excised cartilage samples. The results suggest that for a charged hydrated soft tissue, such as articular cartilage, the balance of proteoglycan swelling and the collagen restraining within the solid matrix is the origin of the in situ residual stress, and that the layered collagen ultrastructure, e.g., relatively dense and with high stiffness at the articular surface, play the dominate role in determining curling behaviors of such tissues. PMID:20370250

  5. A triphasic orthotropic laminate model for cartilage curling behavior: fixed charge density versus mechanical properties inhomogeneity.

    Science.gov (United States)

    Wan, Leo Q; Guo, X Edward; Mow, Van C

    2010-02-01

    Osmotic pressure and associated residual stresses play important roles in cartilage development and biomechanical function. The curling behavior of articular cartilage was believed to be the combination of results from the osmotic pressure derived from fixed negative charges on proteoglycans and the structural and compositional and material property inhomogeneities within the tissue. In the present study, the in vitro swelling and curling behaviors of thin strips of cartilage were analyzed with a new structural model using the triphasic mixture theory with a collagen-proteoglycan solid matrix composed of a three-layered laminate with each layer possessing a distinct set of orthotropic properties. A conewise linear elastic matrix was also incorporated to account for the well-known tension-compression nonlinearity of the tissue. This model can account, for the first time, for the swelling-induced curvatures found in published experimental results on excised cartilage samples. The results suggest that for a charged-hydrated soft tissue, such as articular cartilage, the balance of proteoglycan swelling and the collagen restraining within the solid matrix is the origin of the in situ residual stress, and that the layered collagen ultrastructure, e.g., relatively dense and with high stiffness at the articular surface, play the dominate role in determining curling behaviors of such tissues.

  6. Optimization of tetravalent manganese feroxyhyte's negative charge density: A high-performing mercury adsorbent from drinking water.

    Science.gov (United States)

    Kokkinos, E; Simeonidis, K; Pinakidou, F; Katsikini, M; Mitrakas, M

    2017-01-01

    This study demonstrates an optimization procedure for the development of an Hg-specified adsorbent able to comply with the regulation limit for drinking water of 1μg/L. On this purpose, the synthesis of Mn(IV)-feroxyhyte was modified to achieve high negative charge density by combining alkaline and extreme oxidizing conditions. In particular, precipitation of FeSO4 at pH9 and excess of KMnO4 follows a very fast nucleation step providing a product with very small nanocrystal size (1-2nm), high specific surface area (300m(2)/g) and maximum negative charge density (1.8mmol H(+)/g). The adsorbent was validated for Hg removal in batch experiments and column tests using natural-like water indicating an adsorption capacity as high as 2.5μg/mg at equilibrium concentration 1μg/L under reliable conditions of application. Importantly, the adsorption is an exothermic spontaneous process, resulting in the formation of inner sphere complexes by sharing both A-type and B-type oxygen atoms with the metal surface octahedral as revealed by the X-ray absorption fine structure results. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Electronic structure of SnF{sub 3}: An example of valence skipper which forms charge density wave

    Energy Technology Data Exchange (ETDEWEB)

    Hase, I., E-mail: i.hase@aist.go.jp [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568 (Japan); Yanagisawa, T. [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568 (Japan); Kawashima, K. [IMRA Material R& D Co., LTD., Kariya, Aichi 448-0032 (Japan)

    2016-11-15

    Highlights: • We calculated the electronic structure of SnF{sub 3} and BaBiO{sub 3} from first principles. • As for SnF{sub 3}, charge-density-wave (CDW) is found, which agrees with the experiment. • As for BaBiO{sub 3}, CDW is not found, contrary to the experiment. • We conclude that the CDW is hard in SnF{sub 3} and is soft in BaBiO{sub 3}. - Abstract: In the present study we calculated the electronic structure of the valence skipping compound SnF{sub 3} and BaBiO{sub 3} from first-principles. We confirmed that the charge-density-wave (CDW) is formed in SnF{sub 3}, and the Sn atoms in two crystallographic different sites take the valence Sn{sup 2+} and Sn{sup 4+}. Structure optimization study reveals that this CDW is stable, though the atomic position is slightly different from the experimental data. This behavior is in contrast with the case of BaBiO{sub 3}, where the structure optimization leads to the uniform state, which means that two Bi sites are equivalent. The CDW state is hard in SnF{sub 3}, which means that the CDW gap is large enough and it is difficult to melt this CDW order.

  8. The Role of Charge Density and Hydrophobicity on the Biocidal Properties of Self-Protonable Polymeric Materials.

    Science.gov (United States)

    Matrella, Simona; Vitiello, Carmela; Mella, Massimo; Vigliotta, Giovanni; Izzo, Lorella

    2015-07-01

    Intrinsic antimicrobial thermoplastic A(BC)n copolymers (n = 1, 2, 4), where A was poly(ethylene glycol) (PEG), BC was a random chain of methylmethacrylate (MMA), and alkyl-aminoethyl methacrylate (AAEMA), were synthesized and the antimicrobial activity and hemolyticity were evaluated on plaques obtained by casting as a function of the architecture, the N-substituent groups of the AAEMAs (methyl, ethyl, isopropyl, and tert-butyl groups) and the hydrophobic/charge density balance. Antimicrobial effectiveness and efficiency is controlled by the surface charge density and by the influence of N-alkyl groups on the surface morphology. Also interestingly, it is the absence of hemolitytic activity in all copolymers. In presence of Escherichia coli, the A(BC)2 copolymer with 40% of N-methyl groups is the most efficient, killing 91% of the bacteria already after 1.5 h. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Decreased contralateral breast volume after mastectomy, adjuvant chemotherapy, and anti-estrogen therapy, in particular in breasts with high density.

    Science.gov (United States)

    Ishii, Naohiro; Ando, Jiro; Harao, Michiko; Takemae, Masaru; Kishi, Kazuo

    2017-10-01

    Adjuvant chemotherapy and anti-estrogenic therapy can result in decreased volume of the contralateral breast, following mastectomy for the treatment of breast cancer. However, no data on the effect of adjuvant therapy on contralateral breast volume have previously been reported. We aimed to evaluate the extent to which adjuvant therapy and differences in breast density contribute to decreased breast volume. We conducted a prospective cohort study, selecting 40 nonconsecutive patients who underwent immediate breast reconstruction with mastectomy and expander insertion followed by expander replacement. We measured the contralateral breast volume before each procedure. The extent of the change was analyzed with respect to adjuvant therapy and breast density measured by preoperative mammography. The greatest decrease in breast volume was 135.1 cm3. The decrease in breast volume was significantly larger in the adjuvant therapy (+) group, particularly in patients with high breast density, than in the adjuvant therapy (-) group. Significant differences between the chemotherapy (+), tamoxifen (+) group and the chemotherapy (-), tamoxifen (+) group were not found. Breast density scores had a range of 2.0-3.3 (mean: 2.8). In breast reconstruction, particularly when performed in one stage, preoperative mammography findings are valuable to plastic surgeons, and possible decreases in the contralateral breast volume due to adjuvant therapy, particularly in patients with high breast density, should be considered carefully. Copyright © 2017 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

  10. Effect of explant density and medium culture volumes on cassava micropropagation in Temporal Immersion System

    Directory of Open Access Journals (Sweden)

    Milagros Basail

    2003-04-01

    Full Text Available Due to the need of producing high quality planting material available to cassava growers, it has been necessary to look for alternatives in order to increase the efficiancy of in vitro propagation methods and their automation, such as the use of the Temporal Immersion Systems (RITA®. This work was carried out to increase the multiplication coefficient for cassava mass propagation through out Temporal Immersion Systems. The clone ‘CMC-40’ was used. Different medium volumes per explant, and material density per unit at a given Immersion frequency were tested. The highest results were obtained in the 2.8 multiplication coefficient with 20 ml culture medium volume and 3.2 using a density of 40 explants/flask. When the Temporal Immersion System is used with these results, a more efficient method for cassava micropropagation is established and also higher quality vitroplants for the rooting stage and further acclimatization in field conditions are produced. Key Words: Tissue Culture, liquid culture medium, Manihot esculenta Crantz

  11. Volume holographic data storage at an areal density of 250 gigapixels/in.(2).

    Science.gov (United States)

    Burr, G W; Jefferson, C M; Coufal, H; Jurich, M; Hoffnagle, J A; Macfarlane, R M; Shelby, R M

    2001-04-01

    One thousand volume holographic data pages, each containing 1x10(6)pixels , are stored in a common volume of LiNbO(3) :Fe by use of the 90 degrees geometry. An effective transverse aperture of 1.6 mm x 1.6mm , realized by repetition of this experiment at each of the eight surrounding locations, results in a demonstrated areal density of 394pixels/mum (2) (254 Gpixels/in. (2)) . Short-focal-length Fourier optics provide a tightly confined object beam at the crystal; the reference beam is angle multiplexed. Data pages retrieved with a 1024 x 1024 CCD camera are processed to remap bad spatial light modulator pixels and to compensate for global and local pixel misregistration and are then decoded with a strong 8-bits-from-12-pixels modulation code. The worst-case raw bit-error rate (BER) before error correction was 1.1x10(-3) , sufficient to deliver a user BER of 10(-12) at an overall code rate of 0.61 user bits per detector pixel. This result corresponds to 1.08% of the well-known theoretical volumetric density limit of 1/lambda(3) .

  12. Measurement of the charged pion mass using a low-density target of light atoms

    CERN Document Server

    Trassinelli, M; Borchert, G; Dax, A; Egger, J -P; Gotta, D; Hennebach, M; Indelicato, P; Liu, Y -W; Manil, B; Nelms, N; Simons, L M; Wells, A

    2016-01-01

    We present a new evaluation of the negatively charged pion mass based on the simultaneous spec-troscopy of pionic nitrogen and muonic oxygen transitions using a gaseous target composed by a N 2 /O 2 mixture at 1.4 bar. We present the experimental setup and the methods for deriving the pion mass value from the spatial separation from the 5g -- 4 f $\\pi$N transition line and the 5g -- 4 f $\\mu$O transition line used as reference. Moreover, we discuss the importance to use dilute targets in order to minimize the influence of additional spectral lines from the presence of remaining electrons during the radiative emission. The occurrence of possible satellite lines is investigated via hypothesis testing methods using the Bayes factor.

  13. Measurement of the charged pion mass using a low-density target of light atoms

    Directory of Open Access Journals (Sweden)

    Trassinelli M.

    2016-01-01

    Full Text Available We present a new evaluation of the negatively charged pion mass based on the simultaneous spectroscopy of pionic nitrogen and muonic oxygen transitions using a gaseous target composed by a N2/O2 mixture at 1.4 bar. We present the experimental set-up and the methods for deriving the pion mass value from the spatial separation from the 5g − 4f πN transition line and the 5g − 4f μO transition line used as reference. Moreover, we discuss the importance to use dilute targets in order to minimize the influence of additional spectral lines from the presence of remaining electrons during the radiative emission. The occurrence of possible satellite lines is investigated via hypothesis testing methods using the Bayes factor.

  14. High density matter in AGS, SPS and RHIC collisions: Proceedings. Volume 9

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-01

    This 1-day workshop focused on phenomenological models regarding the specific question of the maximum energy density achievable in collisions at AGS, SPS and RHIC. The idea was to have 30-minute (or less) presentations of each model--but not the model as a whole, rather then that strongly narrowed to the above physics question. The key topics addressed were: (1) to estimate the energy density in heavy-ion collisions within a model, and to discuss its physical implications; (2) to suggest experimental observables that may confirm the correctness of a model approach--with respect to the energy density estimate; (3) to compare with existing data from AGS and SPS heavy-ion collisions, and to give predictions for the future RHIC experiments. G. Ogilvie started up the workshop with a critical summary of experimental manifestations of high-density matter at the AGS, and gave a personal outlook on RHIC physics. R. Mattiello talked about his newly developed hadron cascade model for applications to AGS and SPS collisions. Next, D. Kharzeev gave a nice introduction of the Glauber approach to high-energy collisions and illustrated the predictive power of this approach in nucleus-nucleus collisions at the SPS. It followed S. Vance with a presentation of the baryon-junction model to explain the observed baryon stopping phenomenon in collisions of heavy nuclei. S. Bass continued with a broad perspective of the UrQMD model, and provided insight into the details of the microscopic dynamical features of nuclear collisions at high energy. J. Sandweiss and J. Kapusta addressed the interesting aspect of photon production in peripherical nuclear collisions due to intense electromagnetic bremstrahlung by the highly charged, fast moving ions. Finally, H. Sorge closed up the one-day workshop with a presentation of his recent work with the RQMD model. This report consists of a summary and vugraphs of the presentations.

  15. Density overwrites of internal tumor volumes in intensity modulated proton therapy plans for mobile lung tumors

    Science.gov (United States)

    Botas, Pablo; Grassberger, Clemens; Sharp, Gregory; Paganetti, Harald

    2018-02-01

    The purpose of this study was to investigate internal tumor volume density overwrite strategies to minimize intensity modulated proton therapy (IMPT) plan degradation of mobile lung tumors. Four planning paradigms were compared for nine lung cancer patients. Internal gross tumor volume (IGTV) and internal clinical target volume (ICTV) structures were defined encompassing their respective volumes in every 4DCT phase. The paradigms use different planning CT (pCT) created from the average intensity projection (AIP) of the 4DCT, overwriting the density within the IGTV to account for movement. The density overwrites were: (a) constant filling with 100 HU (C100) or (b) 50 HU (C50), (c) maximum intensity projection (MIP) across phases, and (d) water equivalent path length (WEPL) consideration from beam’s-eye-view. Plans were created optimizing dose-influence matrices calculated with fast GPU Monte Carlo (MC) simulations in each pCT. Plans were evaluated with MC on the 4DCTs using a model of the beam delivery time structure. Dose accumulation was performed using deformable image registration. Interplay effect was addressed applying 10 times rescanning. Significantly less DVH metrics degradation occurred when using MIP and WEPL approaches. Target coverage (D99≥slant 70 Gy(RBE)) was fulfilled in most cases with MIP and WEPL (D{{99}WEPL}=69.2+/- 4.0 Gy (RBE)), keeping dose heterogeneity low (D5-D{{95}WEPL}=3.9+/- 2.0 Gy(RBE)). The mean lung dose was kept lowest by the WEPL strategy, as well as the maximum dose to organs at risk (OARs). The impact on dose levels in the heart, spinal cord and esophagus were patient specific. Overall, the WEPL strategy gives the best performance and should be preferred when using a 3D static geometry for lung cancer IMPT treatment planning. Newly available fast MC methods make it possible to handle long simulations based on 4D data sets to perform studies with high accuracy and efficiency, even prior to individual treatment planning.

  16. Density Contrast Sedimentation Velocity for the Determination of Protein Partial-Specific Volumes

    Science.gov (United States)

    Brown, Patrick H.; Balbo, Andrea; Zhao, Huaying; Ebel, Christine; Schuck, Peter

    2011-01-01

    The partial-specific volume of proteins is an important thermodynamic parameter required for the interpretation of data in several biophysical disciplines. Building on recent advances in the use of density variation sedimentation velocity analytical ultracentrifugation for the determination of macromolecular partial-specific volumes, we have explored a direct global modeling approach describing the sedimentation boundaries in different solvents with a joint differential sedimentation coefficient distribution. This takes full advantage of the influence of different macromolecular buoyancy on both the spread and the velocity of the sedimentation boundary. It should lend itself well to the study of interacting macromolecules and/or heterogeneous samples in microgram quantities. Model applications to three protein samples studied in either H2O, or isotopically enriched H218O mixtures, indicate that partial-specific volumes can be determined with a statistical precision of better than 0.5%, provided signal/noise ratios of 50–100 can be achieved in the measurement of the macromolecular sedimentation velocity profiles. The approach is implemented in the global modeling software SEDPHAT. PMID:22028836

  17. Density contrast sedimentation velocity for the determination of protein partial-specific volumes.

    Directory of Open Access Journals (Sweden)

    Patrick H Brown

    Full Text Available The partial-specific volume of proteins is an important thermodynamic parameter required for the interpretation of data in several biophysical disciplines. Building on recent advances in the use of density variation sedimentation velocity analytical ultracentrifugation for the determination of macromolecular partial-specific volumes, we have explored a direct global modeling approach describing the sedimentation boundaries in different solvents with a joint differential sedimentation coefficient distribution. This takes full advantage of the influence of different macromolecular buoyancy on both the spread and the velocity of the sedimentation boundary. It should lend itself well to the study of interacting macromolecules and/or heterogeneous samples in microgram quantities. Model applications to three protein samples studied in either H(2O, or isotopically enriched H(2 (18O mixtures, indicate that partial-specific volumes can be determined with a statistical precision of better than 0.5%, provided signal/noise ratios of 50-100 can be achieved in the measurement of the macromolecular sedimentation velocity profiles. The approach is implemented in the global modeling software SEDPHAT.

  18. Charged-particle multiplicity density at mid-rapidity in central Pb-Pb collisions at sqrt(sNN) = 2.76 TeV

    NARCIS (Netherlands)

    Aamodt, K.; Chojnacki, M.; Christakoglou, P.; de Rooij, R. S.; Grelli, A.; Kamermans, R.; Mischke, A.; Nooren, G.J.L.; Peitzmann, T.; Thomas, D.; van Leeuwen, M.; Veldhoen, M; Verweij, M.

    2010-01-01

    The first measurement of the charged-particle multiplicity density at mid-rapidity in Pb-Pb collisions at a centre-of-mass energy per nucleon pair sqrt(sNN) = 2.76 TeV is presented. For an event sample corresponding to the most central 5% of the hadronic cross section the pseudo-rapidity density of

  19. VOLUME STUDY WITH HIGH DENSITY OF PARTICLES BASED ON CONTOUR AND CORRELATION IMAGE ANALYSIS

    Directory of Open Access Journals (Sweden)

    Tatyana Yu. Nikolaeva

    2014-11-01

    Full Text Available The subject of study is the techniques of particle statistics evaluation, in particular, processing methods of particle images obtained by coherent illumination. This paper considers the problem of recognition and statistical accounting for individual images of small scattering particles in an arbitrary section of the volume in case of high concentrations. For automatic recognition of focused particles images, a special algorithm for statistical analysis based on contouring and thresholding was used. By means of the mathematical formalism of the scalar diffraction theory, coherent images of the particles formed by the optical system with high numerical aperture were simulated. Numerical testing of the method proposed for the cases of different concentrations and distributions of particles in the volume was performed. As a result, distributions of density and mass fraction of the particles were obtained, and the efficiency of the method in case of different concentrations of particles was evaluated. At high concentrations, the effect of coherent superposition of the particles from the adjacent planes strengthens, which makes it difficult to recognize images of particles using the algorithm considered in the paper. In this case, we propose to supplement the method with calculating the cross-correlation function of particle images from adjacent segments of the volume, and evaluating the ratio between the height of the correlation peak and the height of the function pedestal in the case of different distribution characters. The method of statistical accounting of particles considered in this paper is of practical importance in the study of volume with particles of different nature, for example, in problems of biology and oceanography. Effective work in the regime of high concentrations expands the limits of applicability of these methods for practically important cases and helps to optimize determination time of the distribution character and

  20. Local structure and vibrational properties of alpha-Pu, alpha-Uand the alpha-U charge density wave

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, E.J.; Allen, P.G.; Blobaum, K.J.M.; Wall, W.A.; Booth, C.H.

    2004-08-10

    The local atomic environment and vibrational properties of atoms in monoclinic pure {alpha}-plutonium as well as orthorhombic pure a-uranium and its low-temperature charge-density-wave (CDW) modulation are examined by extended x-ray absorption fine structure spectroscopy (EXAFS). Pu L{sub III}-edge and U L{sub III}-edge EXAFS data measured at low temperatures verify the crystal structures of {alpha}-U and {alpha}-Pu samples previously determined by x-ray diffraction and neutron scattering. Debye-Waller factors from temperature-dependent EXAFS measurements are fit with a correlated Debye model. The observed Pu-Pu bond correlated Debye temperature of {theta}{sub cD}({alpha}-Pu) = 162 {+-} 5 K for the pure {alpha}-Pu phase agrees with our previous measurement of the correlated Debye temperature of the gallium-containing {alpha}{prime}-Pu phase in a mixed phase 1.9 at% Ga-doped {alpha}{prime}-Pu/{delta}-Pu alloy. The temperature dependence of the U-U nearest neighbor Debye-Waller factor exhibits a sharp discontinuity in slope near T{sub CDW} = 43 K, the transition temperature at which the charge-density wave (CDW) in {alpha}-U condenses from a soft phonon mode along the (100) direction. Our measurement of the CDW using EXAFS is the first observation of the structure of the CDW in polycrystalline {alpha}-U. The different temperature dependence of the Debye-Waller factor for T < T{sub CDW} can be modeled by the change in bond length distributions resulting from condensation of the charge density wave. For T > T{sub CDW}, the observed correlated Debye temperature of {theta}{sub cD}({alpha}-U) = 199 {+-} 3 K is in good agreement with other measurements of the Debye temperature for polycrystalline {alpha}-U. CDW structural models fit to the {alpha}-U EXAFS data support a squared CDW at the lowest temperatures, with a displacement amplitude of {var_epsilon} = 0.05 {+-} 0.02 {angstrom}.

  1. Density Functional Reactivity Theory Characterizes Charge Separation Propensity in Proton-Coupled Electron Transfer Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Shubin [Univ. of North Carolina, Chapel Hill, NC (United States); Ess, Daniel H. [Brigham Young Univ., Provo, UT (United States); Univ. of North Carolina, Chapel Hill, NC (United States); Schauer, Cynthia [Univ. of North Carolina, Chapel Hill, NC (United States)

    2011-04-20

    Proton-coupled electron transfer (PCET) reactions occur in many biological and artificial solar energy conversion processes. In these reactions the electron is often transferred to a site distant to the proton acceptor site. In this work, we employ the dual descriptor and the electrophilic Fukui function from density functional reactivity theory (DFRT) to characterize the propensity for an electron to be transferred to a site other than the proton acceptor site. The electrophilic regions of hydrogen bond or van der Waal reactant complexes were examined using these DFRT descriptors to determine the region of space to which the electron is most likely to be transferred. This analysis shows that in PCET reactions the electrophilic region of the reactant complex does not include the proton acceptor site.

  2. Measurement of chirality of charge-density-waves in TiSe{sub 2} by using STM

    Energy Technology Data Exchange (ETDEWEB)

    Ishioka, J. [Department of Applied Physics, Hokkaido University, Sapporo 060-8628, Hokkaido (Japan); Liu, Y.H. [Department of Physics and Astronomy, Clippinger Lab 251B, Athens, OH 45701 (United States); Shimatake, K. [Intellectual Property Headquarters, Nikon Corporation, 1-6-3, Nishi-ohi, Shinagawa-ku, Tokyo (Japan); Kurosawa, T. [Department of Physics, Hokkaido University, Sapporo 060-0810, Hokkaido (Japan); Ichimura, K.; Toda, Y. [Department of Applied Physics, Hokkaido University, Sapporo 060-8628, Hokkaido (Japan); Oda, M. [Department of Physics, Hokkaido University, Sapporo 060-0810, Hokkaido (Japan); Tanda, S., E-mail: tanda@eng.hokudai.ac.j [Department of Applied Physics, Hokkaido University, Sapporo 060-8628, Hokkaido (Japan)

    2010-06-01

    We report the chirality of charge density waves (CDW) in 1T-TiSe{sub 2} by using scanning tunneling microscopy (STM) measurements. We found that the CDW intensity becomes Ia{sub 1}:Ia{sub 2}:Ia{sub 3}=1:0.7{+-}0.1:0.5{+-}0.1, where Ia{sub i} (i=1, 2, 3) is the amplitude of the tunneling current contributed by the CDWs. We found two states, in which the three intensity peaks of the CDW decrease clockwise and anticlockwise when we index each nesting vector in order of intensity in the Fourier transformation of the STM images. We found that this difference arises from CDW stacking along the c-axis at intervals of 2c{sub 0}/3. This chirality is attributed to the helical stacking such as cholesteric liquid crystals.

  3. A density functional theory investigation of charge mobility in titanyl-phthalocyanines and their tailored peripherally substituted complexes

    CERN Document Server

    De Lile, Jeffrey R

    2016-01-01

    Titanyl-phthalocyanines catalytic ability towards oxygen reduction is demonstrated in experimental literature. Our recent theoretical simulations revealed electronic structure origin of catalytic ability in peripherally and axially substituted triplet and singlet titanyl-phthalocyanines. However, the origin of high electron transfer ability to spontaneously reduce peroxide in chlorine substituted singlet complex and triplet state Ti(II)Pc complexes remain elusive. Thus, we performed density functional theory calculations to study Ti(IV)Pc and their tailored peripheral substituted complexes as representative compounds of titanyl-phthalocyanines for charge mobilities, reorganization energies and electronic couplings. In addition, oxo(phthalocyaninato)titanium(IV) (TiOPc) convex and concave compounds were investigated to benchmark the method. Based on the results, Reorganization energies of triplet state Ti(II)Pc and their tailored peripheral substituted complexes are compared with Ti(IV)Pc singlet complexes in ...

  4. Evidence for coupling between collective state and phonons in two-dimensional charge-density-wave systems

    Energy Technology Data Exchange (ETDEWEB)

    Lavagnini, M.; /Zurich, ETH; Baldini, M.; /INFN, Rome; Sacchetti, A.; /Zurich, ETH; Castro, D.Di; /Zurich, ETH; Delley, B.; /PSI, Villigen; Monnier, R.; /Zurich, ETH; Chu, J.-H.; Ru, N.; Fisher, I.R.; /Stanford U., Geballe Lab.; Postorino, P.; /INFN, Rome; Degiorgi, L.; /Zurich, ETH

    2010-02-15

    We report on a Raman scattering investigation of the charge-density-wave (CDW), quasi two-dimensional rare-earth tri-tellurides RTe{sub 3} (R = La, Ce, Pr, Nd, Sm, Gd and Dy) at ambient pressure, and of LaTe{sub 3} and CeTe{sub 3} under externally applied pressure. The observed phonon peaks can be ascribed to the Raman active modes for both the undistorted as well as the distorted lattice in the CDW state by means of a first principles calculation. The latter also predicts the Kohn anomaly in the phonon dispersion, driving the CDW transition. The integrated intensity of the two most prominent modes scales as a characteristic power of the CDW-gap amplitude upon compressing the lattice, which provides clear evidence for the tight coupling between the CDW condensate and the vibrational modes.

  5. Structure-property relationships in non-epitaxial chalcogenide heterostructures: the role of interface density on charge exchange

    Science.gov (United States)

    Bauers, S. R.; Ditto, J.; Moore, D. B.; Johnson, D. C.

    2016-07-01

    A homologous series of quasi-2D ([PbSe]1+δ)m(TiSe2)m nanolayered heterostructures are prepared via self-assembly of designed precursors with 1 rock salt structured PbSe layers alternating with TiSe2 layers, and that grain size increases with m. The compounds are all metallic with upturns in resistivity at low temperature suggesting electron localization, with room temperature resistivity of 1-3 10-5 Ω m, negative Hall coefficients and Seebeck coefficients between -50 and -100 μV K-1. A decrease in the mobile carrier concentration with temperature is observed for all m and the rate increases with increasing low-dimensionality. Decreasing the interface density also decreases the average carrier concentration while increasing the electron mobility. The Seebeck coefficients systematically increase in magnitude as m is increased, but the net effect to the power factor is small due to a compensating increase in resistivity. The observed transport behavior is not described by the simple rigid band models with charge transfer between constituents used previously. Charge exchange between constituents stabilizes the intergrowth, but also introduces mobile carriers and interfacial band bending that must play a role in the transport behavior of the heterostructures. As chemical potentials equilibrate in high m heterostructures there is a decrease in total coulombic stabilization as there are fewer interfaces, so m = 1 is likely to be most stable. This rationalizes why the structurally similar misfit layer compounds with m = 1 are often the only intergrowths that can be prepared. Charge transfer and band bending at interfaces should occur in other heterostructures with similar type II broken-gap band alignments and are important considerations regarding both their stability and transport properties.

  6. Spin- and charge-density waves in the Hartree-Fock ground state of the two-dimensional Hubbard model.

    Science.gov (United States)

    Xu, Jie; Chang, Chia-Chen; Walter, Eric J; Zhang, Shiwei

    2011-12-21

    The ground states of the two-dimensional repulsive Hubbard model are studied within the unrestricted Hartree-Fock (UHF) theory. Magnetic and charge properties are determined by systematic, large-scale, exact numerical calculations, and quantified as a function of electron doping, h. In the solution of the self-consistent UHF equations, multiple initial configurations and simulated annealing are used to facilitate convergence to the global minimum. New approaches are employed to minimize finite-size effects in order to reach the thermodynamic limit. At low to moderate interacting strengths and low doping, the UHF ground state is a linear spin-density wave (l-SDW), with antiferromagnetic order and a modulating wave. The wavelength of the modulating wave is 2/h. Corresponding charge order exists but is substantially weaker than the spin order, hence holes are mobile. As the interaction is increased, the l-SDW states evolve into several different phases, with the holes eventually becoming localized. A simple pairing model is presented with analytic calculations for low interaction strength and small doping, to help understand the numerical results and provide a physical picture for the properties of the SDW ground state. By comparison with recent many-body calculations, it is shown that, for intermediate interactions, the UHF solution provides a good description of the magnetic correlations in the true ground state of the Hubbard model. © 2011 IOP Publishing Ltd Printed in the UK & the USA

  7. Pressure dependence of the optical properties of the charge-density-wave compound LaTe2

    Energy Technology Data Exchange (ETDEWEB)

    Lavagnini, M.; Sacchetti, A.; Degiorgi, L.; /Zurich, ETH; Arcangeletti, E.; Baldassarre, L.; Postorino, P.; Lupi, S.; /Rome U.; Perucchi, A.; /INFM, Trieste; Shin, K.Y.; Fisher, I.R.; /Stanford U., Geballe Lab.

    2009-12-14

    We report the pressure dependence of the optical response of LaTe{sub 2}, which is deep in the charge-density-wave (CDW) ground state even at 300 K. The reflectivity spectrum is collected in the mid-infrared spectral range at room temperature and at pressures between 0 and 7 GPa. We extract the energy scale due to the single particle excitation across the CDW gap and the Drude weight. We establish that the gap decreases upon compressing the lattice, while the Drude weight increases. This signals a reduction in the quality of nesting upon applying pressure, therefore inducing a lesser impact of the CDW condensate on the electronic properties of LaTe{sub 2}. The consequent suppression of the CDW gap leads to a release of additional charge carriers, manifested by the shift of weight from the gap feature into the metallic component of the optical response. On the contrary, the power-law behavior, seen in the optical conductivity at energies above the gap excitation and indicating a weakly interacting limit within the Tomonaga-Luttinger liquid scenario, seems to be only moderately dependent on pressure.

  8. Low-density parity-check codes for volume holographic memory systems.

    Science.gov (United States)

    Pishro-Nik, Hossein; Rahnavard, Nazanin; Ha, Jeongseok; Fekri, Faramarz; Adibi, Ali

    2003-02-10

    We investigate the application of low-density parity-check (LDPC) codes in volume holographic memory (VHM) systems. We show that a carefully designed irregular LDPC code has a very good performance in VHM systems. We optimize high-rate LDPC codes for the nonuniform error pattern in holographic memories to reduce the bit error rate extensively. The prior knowledge of noise distribution is used for designing as well as decoding the LDPC codes. We show that these codes have a superior performance to that of Reed-Solomon (RS) codes and regular LDPC counterparts. Our simulation shows that we can increase the maximum storage capacity of holographic memories by more than 50 percent if we use irregular LDPC codes with soft-decision decoding instead of conventionally employed RS codes with hard-decision decoding. The performance of these LDPC codes is close to the information theoretic capacity.

  9. Charge density wave and excitonic magnetic polarons in CeTe sub 2

    CERN Document Server

    Kasuya, T; Takabatake, T

    2000-01-01

    Mechanisms of anomalous magnetic and transport properties in CeTe sub 2 observed recently on single-crystal samples are studied by comparing with the nonmagnetic reference material LaTe sub 2 , as well as other typical low carrier-density systems such as Ce monopnictides, doped Eu chalcogenides and Yb sub 4 As sub 3. The present system is unique on the point of low-carrier semimetal due to CDW of near perfect nesting, which is shown to be nearly independent of the spin-orbit splitting. The large residual resistivity indicates the giant molecular scattering due to excitonic states forming the distorted Wigner crystal, similar to Yb sub 4 As sub 3. At low temperatures, induced magnetic polarons cause unusual novel transport properties with a sharp peak of resistivity without any anomaly on other physical properties. This is attributed to a sharp glassy transition from an antiferromagnetic short-range ordering to the ferromagnetic ordering of the magnetic polarons within each CeTe double layer sandwiching the mo...

  10. Activation volume of selected liquid crystals in the density scaling regime.

    Science.gov (United States)

    Grzybowski, A; Urban, S; Mroz, S; Paluch, M

    2017-02-09

    In this paper, we demonstrate and thoroughly analyze the activation volumetric properties of selected liquid crystals in the nematic and crystalline E phases in comparison with those reported for glass-forming liquids. In the analysis, we have employed and evaluated two entropic models (based on either total or configurational entropies) to describe the longitudinal relaxation times of the liquid crystals in the density scaling regime. In this study, we have also exploited two equations of state: volumetric and activation volumetric ones. As a result, we have established that the activation volumetric properties of the selected liquid crystals are quite opposite to such typical properties of glass-forming materials, i.e., the activation volume decreases and the isothermal bulk modulus increases when a liquid crystal is isothermally compressed. Using the model based on the configurational entropy, we suggest that the increasing pressure dependences of the activation volume in isothermal conditions and the negative curvature of the pressure dependences of isothermal longitudinal relaxation times can be related to the formation of antiparallel doublets in the examined liquid crystals. A similar pressure effect on relaxation dynamics may be also observed for other material groups in case of systems, the molecules of which form some supramolecular structures.

  11. Quantification of volume, mass, and density of thrombus formation using brightfield and differential interference contrast microscopy

    Science.gov (United States)

    Baker-Groberg, Sandra M.; Phillips, Kevin G.; McCarty, Owen J. T.

    2013-01-01

    Flow chamber assays, in which blood is perfused over surfaces of immobilized extracellular matrix proteins, are used to investigate the formation of platelet thrombi and aggregates under shear flow conditions. Elucidating the dynamic response of thrombi/aggregate formation to different coagulation pathway perturbations in vitro has been used to develop an understanding of normal and pathological cardiovascular states. Current microscopy techniques, such as differential interference contrast (DIC) or fluorescent confocal imaging, respectively, do not provide a simple, quantitative understanding of the basic physical features (volume, mass, and density) of platelet thrombi/aggregate structures. The use of two label-free imaging techniques applied, for the first time, to platelet aggregate and thrombus formation are introduced: noninterferometric quantitative phase microscopy, to determine mass, and Hilbert transform DIC microscopy, to perform volume measurements. Together these techniques enable a quantitative biophysical characterization of platelet aggregates and thrombi formed on three surfaces: fibrillar collagen, fibrillar collagen +0.1 nM tissue factor (TF), and fibrillar collagen +1 nM TF. It is demonstrated that label-free imaging techniques provide quantitative insight into the mechanisms by which thrombi and aggregates are formed in response to exposure to different combinations of procoagulant agonists under shear flow.

  12. Laser-driven strong magnetostatic fields with applications to charged beam transport and magnetized high energy-density physics

    Science.gov (United States)

    Santos, Joao

    2017-10-01

    Powerful laser-plasma processes are explored to generate discharge currents of a few 100 kA in coil targets, yielding magnetostatic fields (B-fields) in the kTesla range. The B-fields are measured by proton-deflectometry and high-frequency bandwidth B-dot probes. According to our modeling, the quasi-static currents are provided from hot electron ejection from the laser-irradiated surface, accounting for the space charge neutralization and the plasma magnetization. The major control parameter is the laser irradiance Iλ2 . The B-fields ns-scale is long enough to magnetize secondary targets through resistive diffusion. We applied it in experiments of laser-generated relativistic electron transport into solid dielectric targets, yielding an unprecedented enhancement of a factor 5 on the energy-density flux at 60 µm depth, compared to unmagnetized transport conditions. These studies pave the ground for magnetized high-energy density physics investigations, related to laser-generated secondary sources of radiation and/or high-energy particles and their transport, to high-gain fusion energy schemes and to laboratory astrophysics. We acknowledge funding from French National Agency for Research (ANR), Grant TERRE ANR-2011-BS04-014, and from EUROfusion Consortium, European Union's Horizon 2020 research and innovation programme, Grant 633053.

  13. Charge density waves and the Coulomb correlation effects in Na2Ti2P2O (P =Sb ,As )

    Science.gov (United States)

    Kim, Heejung; Shim, J. H.; Kim, Kyoo; Min, B. I.

    2017-10-01

    To explore the origin of the phase transitions in Na2Ti2P2O (P = Sb, As), we have investigated their band structures and phonon dispersions based on the a b i n i t i o density functional theory. We have found that the phonon softening instabilities occur for both compounds at qX and qM, which lead to charge density wave (CDW) instabilities through the electron-phonon coupling. When the Coulomb correlation effect of Ti d electrons is taken into account, the CDW transition to a 2 ×1 ×1 supercell driven by the normal mode at qX produces the most stable state for both compounds. In the CDW ground states, Na2Ti2Sb2O and Na2Ti2As2O have the partial and full gap openings in the band structures, respectively, which are in good agreement with the observed transport and angle-resolved photoemission spectroscopy results. Our paper reveals that the Coulomb correlation effects of Ti d electrons are essential to properly describe the CDW transitions in Na2Ti2P2O .

  14. Impact of volume transition on the net charge of poly-N -isopropyl acrylamide microgels

    Science.gov (United States)

    Braibanti, M.; Haro-Pérez, C.; Quesada-Pérez, M.; Rojas-Ochoa, L. F.; Trappe, V.

    2016-09-01

    We explore the electrostatic properties of poly-N -isopropyl acrylamide microgels in dilute, quasi-de-ionized dispersions and show that the apparent net charge of these thermosensitive microgels is an increasing function of their size, the size being conveniently varied by temperature. Our experimental results obtained in a combination of light scattering, conductivity, and mobility experiments are consistent with those obtained in Poisson-Boltzmann cell model calculations, effectively indicating that upon shrinking the number of counterions entrapped within the microgels increases. Remarkably, this behavior shows that the electrostatic energy per particle remains constant upon swelling or deswelling the microgel, resulting in a square root dependence of the net charge on the particle radius.

  15. Centrality dependence of the charged-particle multiplicity density at midrapidity in Pb-Pb collisions at sqrt[s(NN)] = 2.76 TeV.

    Science.gov (United States)

    Aamodt, K; Abrahantes Quintana, A; Adamová, D; Adare, A M; Aggarwal, M M; Aglieri Rinella, G; Agocs, A G; Aguilar Salazar, S; Ahammed, Z; Ahmad, N; Ahmad Masoodi, A; Ahn, S U; Akindinov, A; Aleksandrov, D; Alessandro, B; Alfaro Molina, R; Alici, A; Alkin, A; Almaráz Aviña, E; Alt, T; Altini, V; Altinpinar, S; Altsybeev, I; Andrei, C; Andronic, A; Anguelov, V; Anson, C; Antičić, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshäuser, H; Arbor, N; Arcelli, S; Arend, A; Armesto, N; Arnaldi, R; Aronsson, T; Arsene, I C; Asryan, A; Augustinus, A; Averbeck, R; Awes, T C; Aystö, J; Azmi, M D; Bach, M; Badalà, A; Baek, Y W; Bagnasco, S; Bailhache, R; Bala, R; Baldini Ferroli, R; Baldisseri, A; Baldit, A; Bán, J; Barbera, R; Barile, F; Barnaföldi, G G; Barnby, L S; Barret, V; Bartke, J; Basile, M; Bastid, N; Bathen, B; Batigne, G; Batyunya, B; Baumann, C; Bearden, I G; Beck, H; Belikov, I; Bellini, F; Bellwied, R; Belmont-Moreno, E; Beole, S; Berceanu, I; Bercuci, A; Berdermann, E; Berdnikov, Y; 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Cindolo, F; Cleymans, J; Coccetti, F; Coffin, J-P; Coli, S; Conesa Balbastre, G; Conesa Del Valle, Z; Constantin, P; Contin, G; Contreras, J G; Cormier, T M; Corrales Morales, Y; Cortés Maldonado, I; Cortese, P; Cosentino, M R; Costa, F; Cotallo, M E; Crescio, E; Crochet, P; Cuautle, E; Cunqueiro, L; Erasmo, G D; Dainese, A; Dalsgaard, H H; Danu, A; Das, D; Das, I; Dash, A; Dash, S; De, S; De Azevedo Moregula, A; de Barros, G O V; De Caro, A; de Cataldo, G; de Cuveland, J; De Falco, A; De Gruttola, D; De Marco, N; De Pasquale, S; De Remigis, R; de Rooij, R; Delagrange, H; Delgado Mercado, Y; Dellacasa, G; Deloff, A; Demanov, V; Dénes, E; Deppman, A; Di Bari, D; Di Giglio, C; Di Liberto, S; Di Mauro, A; Di Nezza, P; Dietel, T; Divià, R; Djuvsland, Ø; Dobrin, A; Dobrowolski, T; Domínguez, I; Dönigus, B; Dordic, O; Driga, O; Dubey, A K; Ducroux, L; Dupieux, P; Dutta Majumdar, A K; Dutta Majumdar, M R; Elia, D; Emschermann, D; Engel, H; Erdal, H A; Espagnon, B; Estienne, M; Esumi, S; Evans, D; Evrard, S; Eyyubova, G; Fabjan, C W; Fabris, D; Faivre, J; Falchieri, D; Fantoni, A; Fasel, M; Fearick, R; Fedunov, A; Fehlker, D; Fekete, V; Felea, D; Feofilov, G; Fernández Téllez, A; Ferretti, A; Ferretti, R; Figueredo, M A S; Filchagin, S; Fini, R; Finogeev, D; Fionda, F M; Fiore, E M; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Fragkiadakis, M; Frankenfeld, U; Fuchs, U; Furano, F; Furget, C; Fusco Girard, M; Gaardhøje, J J; Gadrat, S; Gagliardi, M; Gago, A; Gallio, M; Ganoti, P; Garabatos, C; Gemme, R; Gerhard, J; Germain, M; Geuna, C; Gheata, A; Gheata, M; Ghidini, B; Ghosh, P; Girard, M R; Giraudo, G; Giubellino, P; Gladysz-Dziadus, E; Glässel, P; Gomez, R; González-Trueba, L H; González-Zamora, P; González Santos, H; Gorbunov, S; Gotovac, S; Grabski, V; Grajcarek, R; Grelli, A; Grigoras, A; Grigoras, C; Grigoriev, V; Grigoryan, A; Grigoryan, S; Grinyov, B; Grion, N; Gros, P; Grosse-Oetringhaus, J F; Grossiord, J-Y; Grosso, R; Guber, F; Guernane, R; Guerra Gutierrez, C; Guerzoni, B; Gulbrandsen, K; Gulkanyan, H; Gunji, T; Gupta, A; Gupta, R; Gutbrod, H; Haaland, Ø; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Harris, J W; Hartig, M; Hasch, D; Hasegan, D; Hatzifotiadou, D; Hayrapetyan, A; Heide, M; Heinz, M; Helstrup, H; Herghelegiu, A; Hernández, C; Herrera Corral, G; Herrmann, N; Hetland, K F; Hicks, B; Hille, P T; Hippolyte, B; Horaguchi, T; Hori, Y; Hristov, P; Hřivnáčová, I; Huang, M; Huber, S; Humanic, T J; Hwang, D S; Ichou, R; Ilkaev, R; Ilkiv, I; Inaba, M; Incani, E; Innocenti, G M; Innocenti, P G; Ippolitov, M; Irfan, M; Ivan, C; Ivanov, A; Ivanov, M; Ivanov, V; Jachołkowski, A; Jacobs, P M; Jancurová, L; Jangal, S; Janik, R; Jayarathna, S P; Jena, S; Jirden, L; Jones, G T; Jones, P G; Jovanović, P; Jung, H; Jung, W; Jusko, A; Kalcher, S; Kaliňák, P; Kalisky, M; Kalliokoski, T; Kalweit, A; Kamermans, R; Kanaki, K; Kang, E; Kang, J H; Kaplin, V; Karavichev, O; Karavicheva, T; Karpechev, E; Kazantsev, A; Kebschull, U; Keidel, R; Khan, M M; Khanzadeev, A; Kharlov, Y; Kileng, B; Kim, D J; Kim, D S; Kim, D W; Kim, H N; Kim, J H; Kim, J S; Kim, M; Kim, M; Kim, S; Kim, S H; Kirsch, S; Kisel, I; Kiselev, S; Kisiel, A; Klay, J L; Klein, J; Klein-Bösing, C; Kliemant, M; Klovning, A; Kluge, A; Knichel, M L; Koch, K; Köhler, M K; Kolevatov, R; Kolojvari, A; Kondratiev, V; Kondratyeva, N; Konevskih, A; Kornaś, E; Kottachchi Kankanamge Don, C; Kour, R; Kowalski, M; Kox, S; Koyithatta Meethaleveedu, G; Kozlov, K; Kral, J; Králik, I; Kramer, F; Kraus, I; Krawutschke, T; Kretz, M; Krivda, M; Krumbhorn, D; Krus, M; Kryshen, E; Krzewicki, M; Kucheriaev, Y; Kuhn, C; Kuijer, P G; Kurashvili, P; Kurepin, A; Kurepin, A B; Kuryakin, A; Kushpil, S; Kushpil, V; Kweon, M J; Kwon, Y; La Rocca, P; Ladrón de Guevara, P; Lafage, V; Lara, C; Larsen, D T; Lazzeroni, C; Le Bornec, Y; Lea, R; Lee, K S; Lee, S C; Lefèvre, F; Lehnert, J; Leistam, L; Lenhardt, M; Lenti, V; León Monzón, I; León Vargas, H; Lévai, P; Li, X; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Liu, L; Loggins, V R; Loginov, V; Lohn, S; Lohner, D; Loizides, C; Lopez, X; López Noriega, M; López Torres, E; Løvhøiden, G; Lu, X-G; Luettig, P; Lunardon, M; Luparello, G; Luquin, L; Luzzi, C; Ma, K; Ma, R; Madagodahettige-Don, D M; Maevskaya, A; Mager, M; Mahapatra, D P; Maire, A; Malaev, M; Maldonado Cervantes, I; Mal'Kevich, D; Malzacher, P; Mamonov, A; Manceau, L; Mangotra, L; Manko, V; Manso, F; Manzari, V; Mao, Y; Mareš, J; Margagliotti, G V; Margotti, A; Marín, A; Martashvili, I; Martinengo, P; Martínez, M I; Martínez Davalos, A; Martínez García, G; Martynov, Y; Mas, A; Masciocchi, S; Masera, M; Masoni, A; Massacrier, L; Mastromarco, M; Mastroserio, A; Matthews, Z L; Matyja, A; Mayani, D; Mazza, G; Mazzoni, M A; Meddi, F; Menchaca-Rocha, A; Mendez Lorenzo, P; Mercado Pérez, J; Mereu, P; Miake, Y; Midori, J; Milano, L; Milosevic, J; Mischke, A; Miśkowiec, D; Mitu, C; Mlynarz, J; Mohanty, B; Molnar, L; Montaño Zetina, L; Monteno, M; Montes, E; Morando, M; Moreira De Godoy, D A; Moretto, S; Morsch, A; Muccifora, V; Mudnic, E; Müller, H; Muhuri, S; Munhoz, M G; Munoz, J; Musa, L; Musso, A; Nandi, B K; Nania, R; Nappi, E; Nattrass, C; Navach, F; Navin, S; Nayak, T K; Nazarenko, S; Nazarov, G; Nedosekin, A; Nendaz, F; Newby, J; Nicassio, M; Nielsen, B S; Nikolaev, S; Nikolic, V; Nikulin, S; Nikulin, V; Nilsen, B S; Nilsson, M S; Noferini, F; Nooren, G; Novitzky, N; Nyanin, A; Nyatha, A; Nygaard, C; Nystrand, J; Obayashi, H; Ochirov, A; Oeschler, H; Oh, S K; Oleniacz, J; Oppedisano, C; Ortiz Velasquez, A; Ortona, G; Oskarsson, A; Ostrowski, P; Otterlund, I; Otwinowski, J; Øvrebekk, G; Oyama, K; Ozawa, K; Pachmayer, Y; Pachr, M; Padilla, F; Pagano, P; Paić, G; Painke, F; Pajares, C; Pal, S; Pal, S K; Palaha, A; Palmeri, A; Pappalardo, G S; Park, W J; Paticchio, V; Pavlinov, A; Pawlak, T; Peitzmann, T; Peresunko, D; Pérez Lara, C E; Perini, D; Perrino, D; Peryt, W; Pesci, A; Peskov, V; Pestov, Y; Peters, A J; Petráček, V; Petris, M; Petrov, P; Petrovici, M; Petta, C; Piano, S; Piccotti, A; Pikna, M; Pillot, P; Pinazza, O; Pinsky, L; Pitz, N; Piuz, F; Piyarathna, D B; Platt, R; Płoskoń, M; Pluta, J; Pocheptsov, T; Pochybova, S; Podesta-Lerma, P L M; Poghosyan, M G; Polák, K; Polichtchouk, B; Pop, A; Pospíšil, V; Potukuchi, B; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puddu, G; Pulvirenti, A; Punin, V; Putiš, M; Putschke, J; Quercigh, E; Qvigstad, H; Rachevski, A; Rademakers, A; Rademakers, O; Radomski, S; Räihä, T S; Rak, J; Rakotozafindrabe, A; Ramello, L; Ramírez Reyes, A; Rammler, M; Raniwala, R; Raniwala, S; Räsänen, S S; Read, K F; Real, J S; Redlich, K; Renfordt, R; Reolon, A R; Reshetin, A; Rettig, F; Revol, J-P; Reygers, K; Ricaud, H; Riccati, L; Ricci, R A; Richter, M; Riedler, P; Riegler, W; Riggi, F; Rivetti, A; Rodríguez Cahuantzi, M; Rohr, D; Röhrich, D; Romita, R; Ronchetti, F; Rosinský, P; Rosnet, P; Rossegger, S; Rossi, A; Roukoutakis, F; Rousseau, S; Roy, C; Roy, P; Rubio Montero, A J; Rui, R; Rusanov, I; Ryabinkin, E; Rybicki, A; Sadovsky, S; Safařík, K; Sahoo, R; Sahu, P K; Saiz, P; Sakai, S; Sakata, D; Salgado, C A; Samanta, T; Sambyal, S; Samsonov, V; Sándor, L; Sandoval, A; Sano, M; Sano, S; Santo, R; Santoro, R; Sarkamo, J; Saturnini, P; Scapparone, E; Scarlassara, F; Scharenberg, R P; Schiaua, C; Schicker, R; Schmidt, C; Schmidt, H R; Schreiner, S; Schuchmann, S; Schukraft, J; Schutz, Y; Schwarz, K; Schweda, K; Scioli, G; Scomparin, E; Scott, P A; Scott, R; Segato, G; Senyukov, S; Seo, J; Serci, S; Serradilla, E; Sevcenco, A; Shabratova, G; Shahoyan, R; Sharma, N; Sharma, S; Shigaki, K; Shimomura, M; Shtejer, K; Sibiriak, Y; Siciliano, M; Sicking, E; Siemiarczuk, T; Silenzi, A; Silvermyr, D; Simonetti, G; Singaraju, R; Singh, R; Sinha, B C; Sinha, T; Sitar, B; Sitta, M; Skaali, T B; Skjerdal, K; Smakal, R; Smirnov, N; Snellings, R; Søgaard, C; Soloviev, A; Soltz, R; Son, H; Song, M; Soos, C; Soramel, F; Spyropoulou-Stassinaki, M; Srivastava, B K; Stachel, J; Stan, I; Stefanek, G; Stefanini, G; Steinbeck, T; Stenlund, E; Steyn, G; Stocco, D; Stock, R; Stolpovskiy, M; Strmen, P; Suaide, A A P; Subieta Vásquez, M A; Sugitate, T; Suire, C; Sumbera, M; Susa, T; Swoboda, D; Symons, T J M; Szanto de Toledo, A; Szarka, I; Szostak, A; Tagridis, C; Takahashi, J; Tapia Takaki, J D; Tauro, A; Tavlet, M; Tejeda Muñoz, G; Telesca, A; Terrevoli, C; Thäder, J; Thomas, D; Thomas, J H; Tieulent, R; Timmins, A R; Tlusty, D; Toia, A; Torii, H; Toscano, L; Tosello, F; Traczyk, T; Truesdale, D; Trzaska, W H; Tumkin, A; Turrisi, R; Turvey, A J; Tveter, T S; Ulery, J; Ullaland, K; Uras, A; Urbán, J; Urciuoli, G M; Usai, G L; Vacchi, A; Vala, M; Valencia Palomo, L; Vallero, S; van der Kolk, N; van Leeuwen, M; Vande Vyvre, P; Vannucci, L; Vargas, A; Varma, R; Vasileiou, M; Vasiliev, A; Vechernin, V; Venaruzzo, M; Vercellin, E; Vergara, S; Vernet, R; Verweij, M; Vickovic, L; Viesti, G; Vikhlyantsev, O; Vilakazi, Z; Villalobos Baillie, O; Vinogradov, A; Vinogradov, L; Vinogradov, Y; Virgili, T; Viyogi, Y P; Vodopyanov, A; Voloshin, K; Voloshin, S; Volpe, G; von Haller, B; Vranic, D; Vrláková, J; Vulpescu, B; Wagner, B; Wagner, V; Wan, R; Wang, D; Wang, Y; Wang, Y; Watanabe, K; Wessels, J P; Westerhoff, U; Wiechula, J; Wikne, J; Wilde, M; Wilk, A; Wilk, G; Williams, M C S; Windelband, B; Yang, H; Yasnopolskiy, S; Yi, J; Yin, Z; Yokoyama, H; Yoo, I-K; Yuan, X; Yushmanov, I; Zabrodin, E; Zampolli, C; Zaporozhets, S; Zarochentsev, A; Závada, P; Zbroszczyk, H; Zelnicek, P; Zenin, A; Zgura, I; Zhalov, M; Zhang, X; Zhou, D; Zhu, X; Zichichi, A; Zinovjev, G; Zoccarato, Y; Zynovyev, M

    2011-01-21

    The centrality dependence of the charged-particle multiplicity density at midrapidity in Pb-Pb collisions at sqrt[s_{NN}]=2.76  TeV is presented. The charged-particle density normalized per participating nucleon pair increases by about a factor of 2 from peripheral (70%-80%) to central (0%-5%) collisions. The centrality dependence is found to be similar to that observed at lower collision energies. The data are compared with models based on different mechanisms for particle production in nuclear collisions.

  16. Mapping of electron-hole excitations in the charge-density-wave system 1T-TiSe2 using resonant inelastic x-ray scattering.

    Science.gov (United States)

    Monney, C; Zhou, K J; Cercellier, H; Vydrova, Z; Garnier, M G; Monney, G; Strocov, V N; Berger, H; Beck, H; Schmitt, T; Aebi, P

    2012-07-27

    In high-resolution resonant inelastic x-ray scattering at the Ti L edge of the charge-density-wave system 1T-TiSe(2), we observe sharp low energy loss peaks from electron-hole pair excitations developing at low temperature. These excitations are strongly dispersing as a function of the transferred momentum of light. We show that the unoccupied bands close to the Fermi level can effectively be probed in this broadband material. Furthermore, we extract the order parameter of the charge-density-wave phase from temperature-dependent measurements.

  17. Far infrared conductivity of charge density wave materials and the oxygen isotope effect in high-T sub c superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Creager, W.N.

    1991-09-01

    The far infrared reflectance and conductivity of (Ta{sub 1-x}Nb{sub x}Se{sub 4}){sub 2}I and TaS{sub 3} have been measured to determine the origin of a huge infrared resonance that dominates the charge density wave (CDW) dynamics along with the pinned acoustic phason mode in the related materials (TaSe{sub 4}){sub 2}I and K{sub 0. 3}MoO{sub 3}. The measurements cover frequencies from 3 to 700cm{sup {minus}1} and the temperature range from 15K to 300K. In the niobium-doped alloys (Ta{sub 1-x}Nb{sub x}Se{sub 4}){sub 2}I, the size and frequency of the giant infrared mode remain nearly constant as the impurity concentration x is increased. For TaS{sub 3}, the pinned acoustic phason near 0.5cm{sup {minus}1} dominates {var epsilon}({omega}) and an additional small mode lies near 9cm{sup {minus}1}. The latter mode is much smaller than the infrared mode in other CDW materials. These results rule out several models of a generic infrared mode'' in CDW excitations. They are compared in detail to the predictions of a recent theory attributing the infrared mode to a bound collective mode localized at impurity sites within the crystal. The transmittance of K{sub 0.3}MoO{sub 3} has been measured at 1.2K with a strong dc electric field applied across the crystal. Under these conditions, the charge density wave depins abruptly and carries large currents with near-zero differential resistance. For some samples, the low-frequency transmittance is enhanced slightly when the CDW depins. The magnitude of the oxygen isotope effect in the high-{Tc} superconductor YBa{sub 2}Cu{sub 3}O{sub 7} has been determined by substitution of {sup 18}O for {sup 16}O. A series of cross-exchanges was performed on high-quality polycrystalline specimens to eliminate uncertainties due to sample heat treatments and sample inhomogeneities.

  18. Centrality dependence of the pseudorapidity density distribution for charged particles in Pb–Pb collisions at sNN=5.02 TeV

    Directory of Open Access Journals (Sweden)

    J. Adam

    2017-09-01

    Full Text Available We present the charged-particle pseudorapidity density in Pb–Pb collisions at sNN=5.02 TeV in centrality classes measured by ALICE. The measurement covers a wide pseudorapidity range from −3.5 to 5, which is sufficient for reliable estimates of the total number of charged particles produced in the collisions. For the most central (0–5% collisions we find 21400±1300, while for the most peripheral (80–90% we find 230±38. This corresponds to an increase of (27±4% over the results at sNN=2.76 TeV previously reported by ALICE. The energy dependence of the total number of charged particles produced in heavy-ion collisions is found to obey a modified power-law like behaviour. The charged-particle pseudorapidity density of the most central collisions is compared to model calculations — none of which fully describes the measured distribution. We also present an estimate of the rapidity density of charged particles. The width of that distribution is found to exhibit a remarkable proportionality to the beam rapidity, independent of the collision energy from the top SPS to LHC energies.

  19. Mapping Bone Mineral Density Obtained by Quantitative Computed Tomography to Bone Volume Fraction

    Science.gov (United States)

    Pennline, James A.; Mulugeta, Lealem

    2017-01-01

    Methods for relating or mapping estimates of volumetric Bone Mineral Density (vBMD) obtained by Quantitative Computed Tomography to Bone Volume Fraction (BVF) are outlined mathematically. The methods are based on definitions of bone properties, cited experimental studies and regression relations derived from them for trabecular bone in the proximal femur. Using an experimental range of values in the intertrochanteric region obtained from male and female human subjects, age 18 to 49, the BVF values calculated from four different methods were compared to the experimental average and numerical range. The BVF values computed from the conversion method used data from two sources. One source provided pre bed rest vBMD values in the intertrochanteric region from 24 bed rest subject who participated in a 70 day study. Another source contained preflight vBMD values from 18 astronauts who spent 4 to 6 months on the ISS. To aid the use of a mapping from BMD to BVF, the discussion includes how to formulate them for purpose of computational modeling. An application of the conversions would be used to aid in modeling of time varying changes in vBMD as it relates to changes in BVF via bone remodeling and/or modeling.

  20. Doping dependence of the charge-density-wave order in HgBa2CuO4+δ

    Science.gov (United States)

    Yu, Biqiong

    Following the original discovery of short-range charge-density-wave (CDW) order in the orthorhombic double-layer cuprate YBa2Cu3O6+δ (YBCO) below optimal doping, resonant X-ray scattering measurements have revealed that the simple tetragonal single-layer compound HgBa2CuO4+δ (Hg1201; Tc = 71 K) exhibits short-range CDW order as well. Here we report on the doping dependence of the CDW order in Hg1201 and contrast our results with the extensive data available for YBCO. Work done in collaboration with: W. Tabis, G. Yu, M.J. Veit, N. BarisŬić, M.K. Chan, C.J. Dorow, X. Zhao, M. Greven (University of Minnesota); M. Bluschke, E. Weschke (BESSY, Berlin); T. Kolodziej, I. Bialo, A. Kozlowski (AGH, Krakow); M. Hepting, H. Gretarsson, M. Le Tacon, M. Minola, B. Keimer (MPI, Stuttgart); Ronny Sutarto (CLS, Saskatoon); Y. Li (PKU, Beijing); L. Braicovich, G. Dellea, G. Ghiringhelli (CNR-SPIN, Milano); A. Kreyssig, M. Ramazanoglu, A.I. Goldman (Iowa State University and Ames Lab); T. Schmitt (PSI, Switzerland). We acknowledge the support from US Department of Energy, Office of Basic Energy Sciences.

  1. Pressure suppression of unconventional charge-density-wave state in PrRu4P12 studied by optical conductivity

    Energy Technology Data Exchange (ETDEWEB)

    Okamura H.; Carr G.; Ohta, N.; Takigawa, A.; Matsutori, I.; Shoji, K.; Miyata, K.; Matsunami, M.; Nanba, T.; Sugawara, H.; Sekine, C.; Shirotani, I.; Sato, H.; Moriwaki, T.; Ikemoto, Y.; Liu, Z.

    2012-05-09

    Optical conductivity [{delta}({omega})] of PrRu{sub 4}P{sub 12} has been studied under high pressure to 14 GPa, at low temperatures to 8 K, and at photon energies 12 meV-1.1 eV. The energy gap in {delta}({omega}) at ambient pressure, caused by a metal-insulator transition due to an unconventional charge-density-wave formation at 63 K, is gradually filled in with increasing pressure to 10 GPa. At 14 GPa and below 30 K, {delta}({omega}) exhibits a pronounced Drude-type component due to free carriers. This indicates that the initial insulating ground state at zero pressure has been turned into a metallic one at 14 GPa. This is consistent with a previous resistivity study under pressure, where the resistivity rapidly decreased with cooling below 30 K at 14 GPa. The evolution of electronic structure with pressure is discussed in terms of the hybridization between the 4f and conduction electrons.

  2. Tunable Se vacancy defects and the unconventional charge density wave in 1 T -TiSe2 -δ

    Science.gov (United States)

    Huang, S. H.; Shu, G. J.; Pai, Woei Wu; Liu, H. L.; Chou, F. C.

    2017-01-01

    A systematic study of polycrystalline 1 T -TiSe2 -δ with controlled Se loss indicates that the unconventional charge density wave (CDW) phase is found to be most pronounced in samples with δ ˜0.12 , instead of being Se vacancy free. The level of Se vacancy defects and temperature determines whether 1 T -TiSe2 -δ should be categorized as a semiconductor, a semimetal, or an excitonic insulator. An interpretation using a general band picture of p -type doped narrow-band-gap semiconductor with an impurity band (IB) in proximity to the valence band (VB) is proposed to explain the evolution of electronic structures for 1 T -TiSe2 -δ , from the intermediate doping of δ ˜0.08 , to the critical doping of δ ˜0.12 showing an anomalous resistivity peak between ˜100 -200 K , and to the heavily doped of δ ˜0.17 as an n -type degenerate semiconductor. Integrated chemical analysis and physical property characterization, including electron probe microanalysis (EPMA), synchrotron x-ray diffraction, resistivity, and Seebeck coefficient measurement results are provided for the polycrystalline samples prepared via vacuum-sealed high temperature annealing route.

  3. Multiband nodeless superconductivity near the charge-density-wave quantum critical point in ZrTe3-x Se x

    Science.gov (United States)

    Shan, Cui; Lan-Po, He; Xiao-Chen, Hong; Xiang-De, Zhu; Cedomir, Petrovic; Shi-Yan, Li

    2016-07-01

    It was found that selenium doping can suppress the charge-density-wave (CDW) order and induce bulk superconductivity in ZrTe3. The observed superconducting dome suggests the existence of a CDW quantum critical point (QCP) in ZrTe3-x Se x near x ≈ 0.04. To elucidate the superconducting state near the CDW QCP, we measure the thermal conductivity of two ZrTe3-x Se x single crystals (x = 0.044 and 0.051) down to 80 mK. For both samples, the residual linear term κ 0/T at zero field is negligible, which is a clear evidence for nodeless superconducting gap. Furthermore, the field dependence of κ 0/T manifests a multigap behavior. These results demonstrate multiple nodeless superconducting gaps in ZrTe3-x Se x , which indicates conventional superconductivity despite of the existence of a CDW QCP. Project supported by the National Basic Research Program of China (Grant Nos. 2012CB821402 and 2015CB921401), the National Natural Science Foundation of China (Grant Nos. 91421101, 11422429, and 11204312), the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, China, and STCSM of China (Grant No. 15XD1500200). Work at Brookhaven National Laboratory was supported by the US DOE under Contract No. DESC00112704.

  4. Experimental Charge Density Study of Trichromium Linear Metal String Complex – Cr3(dpa)4Cl2

    DEFF Research Database (Denmark)

    Wu, Lai-Chin; Cheng, Ming-Chuan; Thomsen, Maja Krüger

    An experimental and theoretical charge density study, based on Bader’s Quantum Theory: Atoms in Molecule (QTAIM), on a trichromium metal string complex, Cr3(dpa)4Cl2(C2H5OC2H5)x(CH2Cl2)1-x (1, dpa- = bis(2-pyridyl)amido)) is performed. The structure and multipole model of 1 are performed by using...... experimental X-ray diffraction data which are collected at both 100 K using conventional X-ray source (DS1) and 15 K using synchrotron source (DS2). The three chromium metal string is bridged by four dpa- ligands. These tri-chromium metal ions are bonded to each other and terminated by two Cl- ions on the both...... ends, forming a [Cl(1)Cr(1)Cr(2)Cr(3)Cl(2)] linear string. Each Cr atoms are coordinated by four N atoms of each dpa- ligand. This metal string is slightly unsymmetrical at both data sets. The bond distance, from DS1 (DS2), of Cr(1)Cr(2), 2.3480(2) (2.3669(1)) Å, is 0.03 (0.003) Å shorter than Cr...

  5. Estimation of individual binding energies in some dimers involving multiple hydrogen bonds using topological properties of electron charge density

    Science.gov (United States)

    Ebrahimi, A.; Habibi Khorassani, S. M.; Delarami, H.

    2009-11-01

    Individual hydrogen bond (HB) energies have been estimated in several systems involving multiple HBs such as adenine-thymine and guanine-cytosine using electron charge densities calculated at X⋯H hydrogen bond critical points (HBCPs) by atoms in molecules (AIM) method at B3LYP/6-311++G ∗∗ and MP2/6-311++G ∗∗ levels. A symmetrical system with two identical H bonds has been selected to search for simple relations between ρHBCP and individual EHB. Correlation coefficient between EHB and ρHBCP in the base of linear, quadratic, and exponential equations are acceptable and equal to 0.95. The estimated individual binding energies EHB are in good agreement with the results of atom-replacement approach and natural bond orbital analysis (NBO). The EHB values estimated from ρ values at H⋯X BCP are in satisfactory agreement with the main geometrical parameter H⋯X. With respect to the obtained individual binding energies, the strength of a HB depends on the substituent and the cooperative effects of other HBs.

  6. Wigner-transform phase-space densities of a two-dimensional harmonically confined charged quantum gas subjected to a magnetic field

    Science.gov (United States)

    Bencheikh, K.; Nieto, L. M.

    2008-11-01

    Closed form analytical expressions are obtained for the Wigner transform of the Bloch density matrix and for the Wigner phase-space density of a two-dimensional harmonically trapped charged quantum gas in a uniform magnetic field of arbitrary strength, at zero and nonzero temperatures. An exact analytic expression is also obtained for the autocorrelation function. The strong magnetic field case, where only few Landau levels are occupied, is also examined, and useful approximate expressions for the spatial and momentum densities are given.

  7. Charge density studies of 3 d metal (Ni/Cu) complexes with a non-innocent ligand

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu (NTU); (UC)

    2017-07-25

    High-resolution X-ray diffraction experiments and atom-specific X-ray absorption experiments are applied to investigate a series of square planar complexes with the non-innocent ligand of maleonitriledithiolate (mnt), [S2C2(CN)2]z-, containingM—S bonds. Four complexes of (PyH)z[M(mnt)2]z-, whereM= Ni or Cu,z= 2 or 1 and PyH+= C5NH6+, were studied in order to clarify whether such one-electron oxidation–reduction, [M(mnt)2]2-/[M(mnt)2]1-, is taking place at the metal or the ligand site. Combining the techniques of metalK-,L-edge and SK-edge X-ray absorption spectroscopy with high-resolution X-ray charge density studies, it is unambiguously demonstrated that the electron redox reaction is ligand based and metal based for Ni and Cu pairs, respectively. The bonding characters in terms of topological properties associated with the bond critical points are compared between the oxidized form [ML]-and the reduced form [ML]2-. In the case of Ni complexes, the formal oxidation state of Ni remains as Ni2+and each mnt ligand carries a 2- charge in [Ni(mnt)2]2-, but only one of the ligands is formally oxidized in [Ni(mnt)2]1-. In contrast, in the case of Cu complexes, the mnt remains as 2- in both complexes, but the formal oxidation states of the metal are Cu2+and Cu3+. Bond characterizations andd-orbital populations will be presented. The complementary results of XAS, XRD and DFT calculations will be discussed. The conclusion on the redox reactions in these

  8. DENSITY, REFRACTIVE INDEX, APPARENT VOLUMES AND EXCESS MOLAR VOLUMES OF FOUR PROTIC IONIC LIQUIDS + WATER AT T=298.15 AND 323.15 K

    Directory of Open Access Journals (Sweden)

    R. Rocha Pinto

    2015-09-01

    Full Text Available AbstractDensities and refractive index of binay mixtures of water with four protic ionic liquids, based on ammonium and fatty acids, were measured at 298.15 and 323.15 K, under atmospheric pressure. Apparent and excess molar volumes were obtained by experiments and fitting data to the Redlich-Meyer (RM, Redlich-Kister (RK and Prigogine-Flory-Patterson (PFP equations. The molar volume values were high, suggesting strong ion-solvent interaction. The same interaction also became stronger as the temperature increased. Excess volume values were negative, indicating that packing efficiency ability or attractive interactions occurred in mixtures of ionic liquid + water. The errors (AARD for the properties in excess were in the range of 1.8% to 7.2%. The PFP error for the apparent volume was in the range of 0.34% to 0.06%, lower than the RM error for the same property, which was in the range of 0.70 to 1.55%. The Gladstone-Dale model was applied to correlate the refractive index of the binary mixture with the density from the values of both pure components.

  9. Model of phase fluctuations in a lattice d -wave superconductor: Application to the Cooper-pair charge-density wave in underdoped cuprates

    Science.gov (United States)

    Melikyan, Ashot; Tešanović, Zlatko

    2005-06-01

    We introduce and study an XY -type model of thermal and quantum phase fluctuations in a two-dimensional correlated lattice d -wave superconductor based on the QED3 effective theory of high-temperature superconductors. General features of and selected results obtained within this model were reported earlier in an abbreviated format (Z. Tešanović, e-print cond-mat/0405235). The model is geared toward describing not only the long distance but also the intermediate length-scale physics of underdoped cuprates. In particular, we elucidate the dynamical origin and investigate specific features of the charge-density wave of Cooper pairs, which we argue is the state behind the periodic charge-density modulation discovered in recent scanning-tunneling-microscopy experiments. We illustrate how Mott-Hubbard correlations near half-filling suppress superfluid density and favor an incompressible state which breaks translational symmetry of the underlying atomic lattice. We show how the formation of the Cooper pair charge-density wave in such a strongly quantum fluctuating superconductor can naturally be understood as an Abrikosov-Hofstadter problem in a type-II dual superconductor, with the role of the dual magnetic field played by the electron density. The resulting Abrikosov lattice of dual vortices translates into a periodic modulation of the Bogoliubov de Gennes (BdG) gap function and the electronic density. We numerically study the energetics of various Abrikosov-Hofstadter dual vortex arrays and compute their detailed signatures in the single-particle local tunneling density of states. A 4×4 checkerboard-type modulation pattern naturally arises as an energetically favored ground state at and near the x=1/8 doping and produces the local density of states in good agreement with experimental observations. The leading-order behavior of nodal BdG fermions remains unaffected.

  10. Controlling the interface charge density in GaN-based metal-oxide-semiconductor heterostructures by plasma oxidation of metal layers

    Energy Technology Data Exchange (ETDEWEB)

    Hahn, Herwig, E-mail: herwig.hahn@rwth-aachen.de; Kalisch, Holger; Vescan, Andrei [GaN Device Technology, RWTH Aachen University, 52074 Aachen (Germany); JARA-Fundamentals of Future Information Technologies, 52425 Jülich (Germany); Pécz, Béla [MTA EK MFA, Konkoly Thege Street 29-33, 1121 Budapest (Hungary); Kovács, András [JARA-Fundamentals of Future Information Technologies, 52425 Jülich (Germany); Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons (ER-C) and Forschungszentrum Jülich, Peter Grünberg Institut (PGI-5), 52425 Jülich (Germany); Heuken, Michael [GaN Device Technology, RWTH Aachen University, 52074 Aachen (Germany); AIXTRON SE, 52134 Herzogenrath (Germany)

    2015-06-07

    In recent years, investigating and engineering the oxide-semiconductor interface in GaN-based devices has come into focus. This has been driven by a large effort to increase the gate robustness and to obtain enhancement mode transistors. Since it has been shown that deep interface states act as fixed interface charge in the typical transistor operating regime, it appears desirable to intentionally incorporate negative interface charge, and thus, to allow for a positive shift in threshold voltage of transistors to realise enhancement mode behaviour. A rather new approach to obtain such negative charge is the plasma-oxidation of thin metal layers. In this study, we present transmission electron microscopy and energy dispersive X-ray spectroscopy analysis as well as electrical data for Al-, Ti-, and Zr-based thin oxide films on a GaN-based heterostructure. It is shown that the plasma-oxidised layers have a polycrystalline morphology. An interfacial amorphous oxide layer is only detectable in the case of Zr. In addition, all films exhibit net negative charge with varying densities. The Zr layer is providing a negative interface charge density of more than 1 × 10{sup 13 }cm{sup –2} allowing to considerably shift the threshold voltage to more positive values.

  11. The adsorption of CO on charged and neutral Au and Au2: a comparison between wave-function based and density functional theory.

    Science.gov (United States)

    Schwerdtfeger, Peter; Lein, Matthias; Krawczyk, Robert P; Jacob, Christoph R

    2008-03-28

    Quantum theoretical calculations are presented for CO attached to charged and neutral Au and Au(2) with the aim to test the performance of currently applied density functional theory (DFT) by comparison with accurate wave-function based results. For this, we developed a compact sized correlation-consistent valence basis set which accompanies a small-core energy-consistent scalar relativistic pseudopotential for gold. The properties analyzed are geometries, dissociation energies, vibrational frequencies, ionization potentials, and electron affinities. The important role of the basis-set superposition error is addressed which can be substantial for the negatively charged systems. The dissociation energies decrease along the series Au(+)-CO, Au-CO, and Au(-)-CO and as well as along the series Au(2)(+)-CO, Au(2)-CO, and Au(2)(-)-CO. As one expects, a negative charge on gold weakens the carbon oxygen bond considerably, with a consequent redshift in the CO stretching frequency when moving from the positively charged to the neutral and the negatively charged gold atom or dimer. We find that the different density functional approximations applied are not able to correctly describe the rather weak interaction between CO and gold, thus questioning the application of DFT to CO adsorption on larger gold clusters or surfaces.

  12. The effect of fixed charge density and cartilage swelling on mechanics of knee joint cartilage during simulated gait.

    Science.gov (United States)

    Räsänen, Lasse P; Tanska, Petri; Zbýň, Štefan; van Donkelaar, Corrinus C; Trattnig, Siegfried; Nieminen, Miika T; Korhonen, Rami K

    2017-08-16

    The effect of swelling of articular cartilage, caused by the fixed charge density (FCD) of proteoglycans, has not been demonstrated on knee joint mechanics during simulated walking before. In this study, the influence of the depth-wise variation of FCD was investigated on the internal collagen fibril strains and the mechanical response of the knee joint cartilage during gait using finite element (FE) analysis. The FCD distribution of tibial cartilage was implemented from sodium ( 23 Na) MRI into a 3-D FE-model of the knee joint ("Healthy model"). For comparison, models with decreased FCD values were created according to the decrease in FCD associated with the progression of osteoarthritis (OA) ("Early OA" and "Advanced OA" models). In addition, a model without FCD was created ("No FCD" model). The effect of FCD was studied with five different collagen fibril network moduli of cartilage. Using the reference fibril network moduli, the decrease in FCD from "Healthy model" to "Early OA" and "Advanced OA" models resulted in increased axial strains (by +2 and +6%) and decreased fibril strains (by -3 and -13%) throughout the stance, respectively, calculated as mean values through cartilage depth in the tibiofemoral contact regions. Correspondingly, compared to the "Healthy model", the removal of the FCD altogether in "NoFCD model" resulted in increased mean axial strains by +16% and decreased mean fibril strains by -24%. This effect was amplified as the fibril network moduli were decreased by 80% from the reference. Then mean axial strains increased by +6, +19 and +49% and mean fibril strains decreased by -9, -20 and -32%, respectively. Our results suggest that the FCD in articular cartilage has influence on cartilage responses in the knee during walking. Furthermore, the FCD is suggested to have larger impact on cartilage function as the collagen network degenerates e.g. in OA. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. First Order Statistics of Speckle around a Scatterer Volume Density Edge and Edge Detection in Ultrasound Images.

    Science.gov (United States)

    Li, Yue

    1990-01-01

    Ultrasonic imaging plays an important role in medical imaging. But the images exhibit a granular structure, commonly known as speckle. The speckle tends to mask the presence of low-contrast lesions and reduces the ability of a human observer to resolve fine details. Our interest in this research is to examine the problem of edge detection and come up with methods for improving the visualization of organ boundaries and tissue inhomogeneity edges. An edge in an image can be formed either by acoustic impedance change or by scatterer volume density change (or both). The echo produced from these two kinds of edges has different properties. In this work, it has been proved that the echo from a scatterer volume density edge is the Hilbert transform of the echo from a rough impedance boundary (except for a constant) under certain conditions. This result can be used for choosing the correct signal to transmit to optimize the performance of edge detectors and characterizing an edge. The signal to noise ratio of the echo produced by a scatterer volume density edge is also obtained. It is found that: (1) By transmitting a signal with high bandwidth ratio and low center frequency, one can obtain a higher signal to noise ratio. (2) For large area edges, the farther the transducer is from the edge, the larger is the signal to noise ratio. But for small area edges, the nearer the transducer is to the edge, the larger is the signal to noise ratio. These results enable us to maximize the signal to noise ratio by adjusting these parameters. (3) The signal to noise ratio is not only related to the ratio of scatterer volume densities at the edge, but also related to the absolute value of scatterer volume densities. Some of these results have been proved through simulation and experiment. Different edge detection methods have been used to detect simulated scatterer volume density edges to compare their performance. A so-called interlaced array method has been developed for speckle

  14. Centrality Dependence of the Charged-Particle Multiplicity Density at Midrapidity in Pb-Pb Collisions at √sNN=2.76  TeV

    NARCIS (Netherlands)

    Aamodt, K.; Abrahantes Quintana, A.; Mischke, A.; Nooren, G.J.L.; Peitzmann, T.; Thomas, D.; van Leeuwen, M.; Verweij, M.; Zynovyev, M.

    2011-01-01

    The centrality dependence of the charged-particle multiplicity density at midrapidity in Pb-Pb collisions at √sNN=2.76  TeV is presented. The charged-particle density normalized per participating nucleon pair increases by about a factor of 2 from peripheral (70%–80%) to central (0%–5%) collisions.

  15. Density functional study of electronic, charge density, and chemical bonding properties of 9-methyl-3-Thiophen-2-YI-Thieno [3,2-e] [1, 2, 4] Thriazolo [4,3-c] pyrimidine-8-Carboxylic acid ethyl ester crystals

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H., E-mail: maalidph@yahoo.co.uk [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Kamarudin, H. [Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Alahmed, Z.A. [Department of Physics and Astronomy, King Saud University, Riyadh 11451 (Saudi Arabia); Auluck, S. [CSIR-National Physical Laboratory, Dr. K S Krishnan Marg, New Delhi 110012 (India); Chyský, Jan [Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, 166 07 Prague 6 (Czech Republic)

    2014-06-01

    A comprehensive theoretical density functional investigation of the electronic crystal structure, chemical bonding, and the electron charge densities of 9-Methyl-3-Thiophen-2-YI-Thieno [3, 2-e] [1, 2, 4] Thriazolo [4,3-c] Pyrimidine-8-Carboxylic Acid Ethyl Ester (C{sub 15}H{sub 12}N{sub 4}O{sub 2}S{sub 2}) is performed. The density of states at Fermi level equal to 5.50 (3.45) states/Ry cell, and the calculated bare electronic specific heat coefficient is found to be 0.95 (0.59) mJ/mole-K{sup 2} for the local density approximation (Engel–Vosko generalized gradient approximation). The electronic charge density space distribution contours in (1 0 0) and (1 1 0) planes were calculated. We find that there are two independent molecules (A and B) in the asymmetric unit exhibit intramolecular C–H…O, C–H…N interactions. This intramolecular interaction is different in molecules A and B, where A molecule show C–H…O interaction while B molecule exhibit C–H…N interaction. We should emphasis that there is π–π interaction between the pyrimidine rings of the two neighbors B molecules gives extra strengths and stabilizations to the superamolecular structure. The calculated distance between the two neighbors pyrimidine rings found to be 3.345 Å, in good agreement with the measured one (3.424(1) Å). - Highlights: • Electronic structure, chemical bonding, and electron charge density were studied. • Density of states at Fermi level is 5.50 (3.45) states/Ry cell, for LDA (EVGGA). • Bare electronic specific heat coefficient is 0.95 (0.59) mJ/mole-K{sup 2} for LDA(EVGGA). • There are two independent molecules (A and B) in the asymmetric unit.

  16. Internal Charging

    Science.gov (United States)

    Minow, Joseph I.

    2014-01-01

    (1) High energy (>100keV) electrons penetrate spacecraft walls and accumulate in dielectrics or isolated conductors; (2) Threat environment is energetic electrons with sufficient flux to charge circuit boards, cable insulation, and ungrounded metal faster than charge can dissipate; (3) Accumulating charge density generates electric fields in excess of material breakdown strenght resulting in electrostatic discharge; and (4) System impact is material damage, discharge currents inside of spacecraft Faraday cage on or near critical circuitry, and RF noise.

  17. Reduced astrocyte density underlying brain volume reduction in activity-based anorexia rats

    NARCIS (Netherlands)

    Frintrop, Linda; Liesbrock, Johanna; Paulukat, Lisa; Johann, Sonja; Kas, Martien J; Tolba, Rene; Heussen, Nicole; Neulen, Joseph; Konrad, Kerstin; Herpertz-Dahlmann, Beate; Beyer, Cordian; Seitz, Jochen

    2017-01-01

    OBJECTIVES: Severe grey and white matter volume reductions were found in patients with anorexia nervosa (AN) that were linked to neuropsychological deficits while their underlying pathophysiology remains unclear. For the first time, we analysed the cellular basis of brain volume changes in an animal

  18. Impact of electron delocalization on the nature of the charge-transfer states in model pentacene/C60 Interfaces: A density functional theory study

    KAUST Repository

    Yang, Bing

    2014-12-04

    Electronic delocalization effects have been proposed to play a key role in photocurrent generation in organic photovoltaic devices. Here, we study the role of charge delocalization on the nature of the charge-transfer (CT) states in the case of model complexes consisting of several pentacene molecules and one fullerene (C60) molecule, which are representative of donor/acceptor heterojunctions. The energies of the CT states are examined by means of time-dependent density functional theory (TD-DFT) using the long-range-corrected functional, ωB97X, with an optimized range-separation parameter, ω. We provide a general description of how the nature of the CT states is impacted by molecular packing (i.e., interfacial donor/acceptor orientations), system size, and intermolecular interactions, features of importance in the understanding of the charge-separation mechanism.

  19. Charge density at the nucleus and radial behavior of ground state for lithium-like ions with Z = 21 to 30

    Science.gov (United States)

    Yu, Wei-Wei; Wang, Zhi-Wen; Chen, Chao; Cai, Juan; Zhang, Nan

    2012-07-01

    By using the full-core plus correlation (FCPC) type wave functions, the accurate charge densities ρ(0) at the nucleus and the radial expectation values of the ground states for the lithium-like systems with Z = 21 to 30 are obtained. The determinantal conditions and the electron-nucleus cusp condition are used to calculate the inequalities of the upper and the lower bounds to ρ(0) with two or more expectation values. These inequalities, derived by Angulo and Dehesa [Phys. Rev. A 44 1516 (1991)], are verified to be also valid for these ions with higher nuclear charge. The present results show that the wave functions used in this paper are satisfactory in the whole configuration space for these ions with higher nuclear charge.

  20. Far-from-equilibrium dynamics of a strongly coupled non-Abelian plasma with non-zero charge density or external magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    III, John F. Fuini; Yaffe, Laurence G. [Department of Physics, University of Washington,Seattle WA 98195 (United States)

    2015-07-22

    Using holography, we study the evolution of a spatially homogeneous, far from equilibrium, strongly coupled N=4 supersymmetric Yang-Mills plasma with a non-zero charge density or a background magnetic field. This gauge theory problem corresponds, in the dual gravity description, to an initial value problem in Einstein-Maxwell theory with homogeneous but anisotropic initial conditions. We explore the dependence of the equilibration process on different aspects of the initial departure from equilibrium and, while controlling for these dependencies, examine how the equilibration dynamics are affected by the presence of a non-vanishing charge density or an external magnetic field. The equilibration dynamics are remarkably insensitive to the addition of even large chemical potentials or magnetic fields; the equilibration time is set primarily by the form of the initial departure from equilibrium. For initial deviations from equilibrium which are well localized in scale, we formulate a simple model for equilibration times which agrees quite well with our results.

  1. Far-from-equilibrium dynamics of a strongly coupled non-Abelian plasma with non-zero charge density or external magnetic field

    Science.gov (United States)

    Fuini, John F.; Yaffe, Laurence G.

    2015-07-01

    Using holography, we study the evolution of a spatially homogeneous, far from equilibrium, strongly coupled supersymmetric Yang-Mills plasma with a non-zero charge density or a background magnetic field. This gauge theory problem corresponds, in the dual gravity description, to an initial value problem in Einstein-Maxwell theory with homogeneous but anisotropic initial conditions. We explore the dependence of the equilibration process on different aspects of the initial departure from equilibrium and, while controlling for these dependencies, examine how the equilibration dynamics are affected by the presence of a non-vanishing charge density or an external magnetic field. The equilibration dynamics are remarkably insensitive to the addition of even large chemical potentials or magnetic fields; the equilibration time is set primarily by the form of the initial departure from equilibrium. For initial deviations from equilibrium which are well localized in scale, we formulate a simple model for equilibration times which agrees quite well with our results.

  2. Charged-particle multiplicity density at midrapidity in central Pb-Pb collisions at sqrt[S(NN)] = 2.76 TeV.

    Science.gov (United States)

    Aamodt, K; Abelev, B; Quintana, A Abrahantes; Adamová, D; Adare, A M; Aggarwal, M M; Rinella, G Aglieri; Agocs, A G; Salazar, S Aguilar; Ahammed, Z; Masoodi, A Ahmad; Ahmad, N; Ahn, S U; Akindinov, A; Aleksandrov, D; Alessandro, B; Molina, R Alfaro; Alici, A; Alkin, A; Aviña, E Almaráz; Alt, T; Altini, V; Altinpinar, S; Altsybeev, I; Andrei, C; Andronic, A; Anguelov, V; Anson, C; Antičić, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshäuser, H; Arbor, N; Arcelli, S; Arend, A; Armesto, N; Arnaldi, R; Aronsson, T; Arsene, I C; Asryan, A; Augustinus, A; Averbeck, R; Awes, T C; Aystö, J; Azmi, M D; Bach, M; Badalà, A; Baek, Y W; Bagnasco, S; Bailhache, R; Bala, R; Ferroli, R Baldini; Baldisseri, A; Baldit, A; Pedrosa, F Baltasar Dos Santos; Bán, J; Barbera, R; Barile, F; Barnaföldi, G G; Barnby, L S; Barret, V; Bartke, J; Basile, M; Bastid, N; Bathen, B; Batigne, G; Batyunya, B; Baumann, C; Bearden, I G; Beck, H; Belikov, I; Bellini, F; Bellwied, R; Belmont-Moreno, E; Beole, S; Berceanu, I; Bercuci, A; Berdermann, E; Berdnikov, Y; Bergmann, C; Betev, L; Bhasin, A; Bhati, A K; Bianchi, L; Bianchi, N; Bianchin, C; Bielčík, J; Bielčíková, J; Bilandzic, A; Biolcati, E; Blanc, A; Blanco, F; Blanco, F; Blau, D; Blume, C; Boccioli, M; Bock, N; Bogdanov, A; Bøggild, H; Bogolyubsky, M; Boldizsár, L; Bombara, M; Bombonati, C; Book, J; Borel, H; Borissov, A; Bortolin, C; Bose, S; Bossú, F; Botje, M; Böttger, S; Boyer, B; Braun-Munzinger, P; Bravina, L; Bregant, M; Breitner, T; Broz, M; Brun, R; Bruna, E; Bruno, G E; Budnikov, D; Buesching, H; Bugaiev, K; Busch, O; Buthelezi, Z; Caffarri, D; Cai, X; Caines, H; Villar, E Calvo; Camerini, P; Roman, V Canoa; Romeo, G Cara; Carena, F; Carena, W; Carminati, F; Díaz, A Casanova; Caselle, M; Castellanos, J Castillo; Catanescu, V; Cavicchioli, C; Cepila, J; Cerello, P; Chang, B; Chapeland, S; Charvet, J L; Chattopadhyay, S; Chattopadhyay, S; Cherney, M; Cheshkov, C; Cheynis, B; Chiavassa, E; Barroso, V Chibante; Chinellato, D D; Chochula, P; Chojnacki, M; Christakoglou, P; Christensen, C H; Christiansen, P; Chujo, T; Cicalo, C; Cifarelli, L; Cindolo, F; Cleymans, J; Coccetti, F; Coffin, J-P; Coli, S; Balbastre, G Conesa; Del Valle, Z Conesa; Constantin, P; Contin, G; Contreras, J G; Cormier, T M; Morales, Y Corrales; Maldonado, I Cortés; Cortese, P; Cosentino, M R; Costa, F; Cotallo, M E; Crescio, E; Crochet, P; Cuautle, E; Cunqueiro, L; Erasmo, G D; Dainese, A; Dalsgaard, H H; Danu, A; Das, D; Das, I; Das, K; Dash, A; Dash, S; De, S; Moregula, A De Azevedo; de Barros, G O V; De Caro, A; de Cataldo, G; de Cuveland, J; De Falco, A; De Gruttola, D; De Marco, N; De Pasquale, S; De Remigis, R; de Rooij, R; Debski, P R; Sanchez, E Del Castillo; Delagrange, H; Mercado, Y Delgado; Dellacasa, G; Deloff, A; Demanov, V; Dénes, E; Deppman, A; Di Bari, D; Di Giglio, C; Di Liberto, S; Di Mauro, A; Di Nezza, P; Dietel, T; Divià, R; Djuvsland, Ø; Dobrin, A; Dobrowolski, T; Domínguez, I; Dönigus, B; Dordic, O; Driga, O; Dubey, A K; Dubuisson, J; Ducroux, L; Dupieux, P; Majumdar, A K Dutta; Majumdar, M R Dutta; Elia, D; Emschermann, D; Engel, H; Erdal, H A; Espagnon, B; Estienne, M; Esumi, S; Evans, D; Evrard, S; Eyyubova, G; Fabjan, C W; Fabris, D; Faivre, J; Falchieri, D; Fantoni, A; Fasel, M; Fearick, R; Fedunov, A; Fehlker, D; Fekete, V; Felea, D; Feofilov, G; Téllez, A Fernández; Ferretti, A; Ferretti, R; Figiel, J; Figueredo, M A S; Filchagin, S; Fini, R; Finogeev, D; Fionda, F M; Fiore, E M; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Fragkiadakis, M; Frankenfeld, U; Fuchs, U; Furano, F; Furget, C; Girard, M Fusco; Gaardhøje, J J; Gadrat, S; Gagliardi, M; Gago, A; Gallio, M; Gangadharan, D R; Ganoti, P; Ganti, M S; Garabatos, C; Garcia-Solis, E; Garishvili, I; Gemme, R; Gerhard, J; Germain, M; Geuna, C; Gheata, A; Gheata, M; Ghidini, B; Ghosh, P; Gianotti, P; Girard, M R; Giraudo, G; Giubellino, P; Gladysz-Dziadus, E; Glässel, P; Gomez, R; Ferreiro, E G; Santos, H González; González-Trueba, L H; González-Zamora, P; Gorbunov, S; Gotovac, S; Grabski, V; Grajcarek, R; Grelli, A; Grigoras, A; Grigoras, C; Grigoriev, V; Grigoryan, A; Grigoryan, S; Grinyov, B; Grion, N; Gros, P; Grosse-Oetringhaus, J F; Grossiord, J-Y; Grosso, R; Guber, F; Guernane, R; Gutierrez, C Guerra; Guerzoni, B; Gulbrandsen, K; Gunji, T; Gupta, A; Gupta, R; Gutbrod, H; Haaland, Ø; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Harris, J W; Hartig, M; Hasch, D; Hasegan, D; Hatzifotiadou, D; Hayrapetyan, A; Heide, M; Heinz, M; Helstrup, H; Herghelegiu, A; Hernández, C; Corral, G Herrera; Herrmann, N; Hetland, K F; Hicks, B; Hille, P T; Hippolyte, B; Horaguchi, T; Hori, Y; Hristov, P; Hřivnáčová, I; Huang, M; Huber, S; Humanic, T J; Hwang, D S; Ichou, R; Ilkaev, R; Ilkiv, I; Inaba, M; Incani, E; Innocenti, G M; Innocenti, P G; Ippolitov, M; Irfan, M; Ivan, C; Ivanov, A; Ivanov, M; Ivanov, V; Jachołkowski, A; Jacobs, P M; Jancurová, L; Jangal, S; Janik, R; Jena, S; Jirden, L; Jones, G T; Jones, P G; Jovanović, P; Jung, H; Jung, W; Jusko, A; Kalcher, S; Kaliňák, P; Kalisky, M; Kalliokoski, T; Kalweit, A; Kamermans, R; Kanaki, K; Kang, E; Kang, J H; Kaplin, V; Karavichev, O; Karavicheva, T; Karpechev, E; Kazantsev, A; Kebschull, U; Keidel, R; Khan, M M; Khan, S A; Khanzadeev, A; Kharlov, Y; Kileng, B; Kim, D J; Kim, D S; Kim, D W; Kim, H N; Kim, J H; Kim, J S; Kim, M; Kim, M; Kim, S; Kim, S H; Kirsch, S; Kisel, I; Kiselev, S; Kisiel, A; Klay, J L; Klein, J; Klein-Bösing, C; Kliemant, M; Klovning, A; Kluge, A; Knichel, M L; Koch, K; Köhler, M K; Kolevatov, R; Kolojvari, A; Kondratiev, V; Kondratyeva, N; Konevskih, A; Kornaś, E; Don, C Kottachchi Kankanamge; Kour, R; Kowalski, M; Kox, S; Meethaleveedu, G Koyithatta; Kozlov, K; Kral, J; Králik, I; Kramer, F; Kraus, I; Krawutschke, T; Kretz, M; Krivda, M; Krizek, F; Krumbhorn, D; Krus, M; Kryshen, E; Krzewicki, M; Kucheriaev, Y; Kuhn, C; Kuijer, P G; Kurashvili, P; Kurepin, A; Kurepin, A B; Kuryakin, A; Kushpil, S; Kushpil, V; Kweon, M J; Kwon, Y; La Rocca, P; de Guevara, P Ladrón; Lafage, V; Lara, C; Lardeux, A; Larsen, D T; Lazzeroni, C; Le Bornec, Y; Lea, R; Lee, K S; Lee, S C; Lefèvre, F; Lehnert, J; Leistam, L; Lenhardt, M; Lenti, V; Monzón, I León; Vargas, H León; Lévai, P; Li, X; Lien, J; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Liu, L; Loenne, P I; Loggins, V R; Loginov, V; Lohn, S; Loizides, C; Loo, K K; Lopez, X; Noriega, M López; Torres, E López; Løvhøiden, G; Lu, X-G; Luettig, P; Lunardon, M; Luparello, G; Luquin, L; Luzzi, C; Ma, K; Ma, R; Madagodahettige-Don, D M; Maevskaya, A; Mager, M; Mahapatra, D P; Maire, A; Mal'Kevich, D; Malaev, M; Cervantes, I Maldonado; Malinina, L; Malzacher, P; Mamonov, A; Manceau, L; Mangotra, L; Manko, V; Manso, F; Manzari, V; Mao, Y; Mareš, J; Margagliotti, G V; Margotti, A; Marín, A; Markert, C; Martashvili, I; Martinengo, P; Martínez, M I; Davalos, A Martínez; García, G Martínez; Martynov, Y; Masciocchi, S; Masera, M; Masoni, A; Massacrier, L; Mastromarco, M; Mastroserio, A; Matthews, Z L; Matyja, A; Mayani, D; Mayer, C; Mazza, G; Mazzoni, M A; Meddi, F; Menchaca-Rocha, A; Lorenzo, P Mendez; Menis, I; Pérez, J Mercado; Meres, M; Mereu, P; Miake, Y; Midori, J; Milano, L; Milosevic, J; Mischke, A; Miśkowiec, D; Mitu, C; Mlynarz, J; Mohanty, A K; Mohanty, B; Molnar, L; Zetina, L Montaño; Monteno, M; Montes, E; Morando, M; De Godoy, D A Moreira; Moretto, S; Morsch, A; Muccifora, V; Mudnic, E; Muhuri, S; Müller, H; Munhoz, M G; Munoz, J; Musa, L; Musso, A; Nandi, B K; Nania, R; Nappi, E; Nattrass, C; Navach, F; Navin, S; Nayak, T K; Nazarenko, S; Nazarov, G; Nedosekin, A; Nendaz, F; Newby, J; Nicassio, M; Nielsen, B S; Niida, T; Nikolaev, S; Nikolic, V; Nikulin, S; Nikulin, V; Nilsen, B S; Nilsson, M S; Noferini, F; Nooren, G; Novitzky, N; Nyanin, A; Nyatha, A; Nygaard, C; Nystrand, J; Obayashi, H; Ochirov, A; Oeschler, H; Oh, S K; Oleniacz, J; Oppedisano, C; Velasquez, A Ortiz; Ortona, G; Oskarsson, A; Ostrowski, P; Otterlund, I; Otwinowski, J; Oyama, K; Ozawa, K; Pachmayer, Y; Pachr, M; Padilla, F; Pagano, P; Jayarathna, S P; Paić, G; Painke, F; Pajares, C; Pal, S; Pal, S K; Palaha, A; Palmeri, A; Pappalardo, G S; Park, W J; Patalakha, D I; Paticchio, V; Pavlinov, A; Pawlak, T; Peitzmann, T; Peresunko, D; Lara, C E Pérez; Perini, D; Perrino, D; Peryt, W; Pesci, A; Peskov, V; Pestov, Y; Peters, A J; Petráček, V; Petran, M; Petris, M; Petrov, P; Petrovici, M; Petta, C; Piano, S; Piccotti, A; Pikna, M; Pillot, P; Pinazza, O; Pinsky, L; Pitz, N; Piuz, F; Piyarathna, D B; Platt, R; Płoskoń, M; Pluta, J; Pocheptsov, T; Pochybova, S; Podesta-Lerma, P L M; Poghosyan, M G; Polák, K; Polichtchouk, B; Pop, A; Porteboeuf, S; Pospíšil, V; Potukuchi, B; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puddu, G; Pulvirenti, A; Punin, V; Putiš, M; Putschke, J; Quercigh, E; Qvigstad, H; Rachevski, A; Rademakers, A; Rademakers, O; Radomski, S; Räihä, T S; Rak, J; Rakotozafindrabe, A; Ramello, L; Ramírez Reyes, A; Rammler, M; Raniwala, R; Raniwala, S; Räsänen, S S; Read, K F; Real, J; Redlich, K; Renfordt, R; Reolon, A R; Reshetin, A; Rettig, F; Revol, J-P; Reygers, K; Ricaud, H; Riccati, L; Ricci, R A; Richter, M; Riedler, P; Riegler, W; Riggi, F; Cahuantzi, M Rodríguez; Rohr, D; Röhrich, D; Romita, R; Ronchetti, F; Rosinský, P; Rosnet, P; Rossegger, S; Rossi, A; Roukoutakis, F; Rousseau, S; Roy, C; Roy, P; Montero, A J Rubio; Rui, R; Rivetti, A; Rusanov, I; Ryabinkin, E; Rybicki, A; Sadovsky, S; Safařík, K; Sahoo, R; Sahu, P K; Saini, J; Saiz, P; Sakai, S; Sakata, D; Salgado, C A; Samanta, T; Sambyal, S; Samsonov, V; Castro, X Sanchez; Sándor, L; Sandoval, A; Sano, M; Sano, S; Santo, R; Santoro, R; Sarkamo, J; Saturnini, P; Scapparone, E; Scarlassara, F; Scharenberg, R P; Schiaua, C; Schicker, R; Schmidt, C; Schmidt, H R; Schreiner, S; Schuchmann, S; Schukraft, J; Schutz, Y; Schwarz, K; Schweda, K; Scioli, G; Scomparin, E; Scott, P A; Scott, R; Segato, G; Selyuzhenkov, I; Senyukov, S; Seo, J; Serci, S; Serradilla, E; Sevcenco, A; Sgura, I; Shabratova, G; Shahoyan, R; Sharma, N; Sharma, S; Shigaki, K; Shimomura, M; Shtejer, K; Sibiriak, Y; Siciliano, M; Sicking, E; Siemiarczuk, T; Silenzi, A; Silvermyr, D; Simonetti, G; Singaraju, R; Singh, R; Singhal, V; Sinha, B C; Sinha, T; Sitar, B; Sitta, M; Skaali, T B; Skjerdal, K; Smakal, R; Smirnov, N; Snellings, R; Søgaard, C; Soloviev, A; Soltz, R; Son, H; Song, J; Song, M; Soos, C; Soramel, F; Spyropoulou-Stassinaki, M; Srivastava, B K; Stachel, J; Stan, I; Stefanek, G; Stefanini, G; Steinbeck, T; Steinpreis, M; Stenlund, E; Steyn, G; Stocco, D; Stock, R; Stokkevag, C H; Stolpovskiy, M; Strmen, P; Suaide, A A P; Vásquez, M A Subieta; Sugitate, T; Suire, C; Sukhorukov, M; Sumbera, M; Susa, T; Swoboda, D; Symons, T J M; de Toledo, A Szanto; Szarka, I; Szostak, A; Tagridis, C; Takahashi, J; Takaki, J D Tapia; Tauro, A; Tavlet, M; Muñoz, G Tejeda; Telesca, A; Terrevoli, C; Thäder, J; Thomas, D; Thomas, J H; Tieulent, R; Timmins, A R; Tlusty, D; Toia, A; Torii, H; Toscano, L; Tosello, F; Traczyk, T; Truesdale, D; Trzaska, W H; Tsuji, T; Tumkin, A; Turrisi, R; Turvey, A J; Tveter, T S; Ulery, J; Ullaland, K; Uras, A; Urbán, J; Urciuoli, G M; Usai, G L; Vacchi, A; Vajzer, M; Vala, M; Palomo, L Valencia; Vallero, S; van der Kolk, N; van Leeuwen, M; Vande Vyvre, P; Vannucci, L; Vargas, A; Varma, R; Vasileiou, M; Vasiliev, A; Vechernin, V; Veldhoen, M; Venaruzzo, M; Vercellin, E; Vergara, S; Vernekohl, D C; Vernet, R; Verweij, M; Vickovic, L; Viesti, G; Vikhlyantsev, O; Vilakazi, Z; Baillie, O Villalobos; Vinogradov, A; Vinogradov, L; Vinogradov, Y; Virgili, T; Viyogi, Y P; Vodopyanov, A; Voloshin, K; Voloshin, S; Volpe, G; von Haller, B; Vranic, D; Øvrebekk, G; Vrláková, J; Vulpescu, B; Vyushin, A; Wagner, B; Wagner, V; Wan, R; Wang, D; Wang, Y; Wang, Y; Watanabe, K; Wessels, J P; Westerhoff, U; Wiechula, J; Wikne, J; Wilde, M; Wilk, A; Wilk, G; Williams, M C S; Windelband, B; Karampatsos, L Xaplanteris; Yang, H; Yang, S; Yasnopolskiy, S; Yi, J; Yin, Z; Yokoyama, H; Yoo, I-K; Yu, W; Yuan, X; Yushmanov, I; Zabrodin, E; Zach, C; Zampolli, C; Zaporozhets, S; Zarochentsev, A; Závada, P; Zaviyalov, N; Zbroszczyk, H; Zelnicek, P; Zenin, A; Zgura, I; Zhalov, M; Zhang, X; Zhou, D; Zichichi, A; Zinovjev, G; Zoccarato, Y; Zynovyev, M

    2010-12-17

    The first measurement of the charged-particle multiplicity density at midrapidity in Pb-Pb collisions at a center-of-mass energy per nucleon pair √ S NN = 2.76 TeV is presented. For an event sample corresponding to the most central 5% of the hadronic cross section, the pseudorapidity density of primary charged particles at midrapidity is 1584 ± 4(stat) ± 76(syst), which corresponds to 8.3 ± 0.4(syst) per participating nucleon pair. This represents an increase of about a factor 1.9 relative to pp collisions at similar collision energies, and about a factor 2.2 to central Au-Au collisions at √ S NN = 2.76 TeV. This measurement provides the first experimental constraint for models of nucleus-nucleus collisions at LHC energies.

  3. Charged-particle multiplicity density at mid-rapidity in central Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV

    CERN Document Server

    Aamodt, K; Abrahantes Quintana, A; Adamova, D; Adare, A M; Aggarwal, M M; Aglieri Rinella, G; Agocs, A G; Aguilar Salazar, S; Ahammed, Z; Ahmad Masoodi, A; Ahmad, N; Ahn, S U; Akindinov, A; Aleksandrov, D; Alessandro, B; Alfaro Molina, R; Alici, A; Alkin, A; Almaraz Avina, E; Alt, T; Altini, V; Altinpinar, S; Altsybeev, I; Andrei, C; Andronic, A; Anguelov, V; Anson, C; Anticic, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshauser, H; Arbor, N; Arcelli, S; Arend, A; Armesto, N; Arnaldi, R; Aronsson, T; Arsene, I C; Asryan, A; Augustinus, A; Averbeck, R; Awes, T C; Aysto, J; Azmi, M D; Bach, M; Badala, A; Baek, Y W; Bagnasco, S; Bailhache, R; Bala, R; Baldini-Ferroli, R; Baldisseri, A; Baldit, A; Baltasar Dos Santos Pedrosa, F; Ban, J; Barbera, R; Barile, F; Barnafoldi, G G; Barnby, L S; Barret, V; Bartke, J; Basile, M; Bastid, N; Bathen, B; Batigne, G; Batyunya, B; Baumann, C; Bearden, I G; Beck, H; Belikov, I; Bellini, F; Bellwied, R; Belmont-Moreno, E; Beole, S; Berceanu, I; Bercuci, A; Berdermann, E; Berdnikov, Y; Bergmann, C; Betev, L; Bhasin, A; Bhati, A K; Bianchi, L; Bianchi, N; Bianchin, C; Bielcik, J; Bielcikova, J; Bilandzic, A; Biolcati, E; Blanc, A; Blanco, F; Blanco, F; Blau, D; Blume, C; Boccioli, M; Bock, N; Bogdanov, A; Boggild, H; Bogolyubsky, M; Boldizsar, L; Bombara, M; Bombonati, C; Book, J; Borel, H; Borissov, A; Bortolin, C; Bose, S; Bossu, F; Botje, M; Bottger, S; Boyer, B; Braun-Munzinger, P; Bravina, L; Bregant, M; Breitner, T; Broz, M; Brun, R; Bruna, E; Bruno, G E; Budnikov, D; Buesching, H; Bugaiev, K; Busch, O; Buthelezi, Z; Caffarri, D; Cai, X; Caines, H; Calvo Villar, E; Camerini, P; Canoa Roman, V; Cara Romeo, G; Carena, F; Carena, W; Carminati, F; Casanova Diaz, A; Caselle, M; Castillo Castellanos, J; Catanescu, V; Cavicchioli, C; Cepila, J; Cerello, P; Chang, B; Chapeland, S; Charvet, J L; Chattopadhyay, S; Chattopadhyay, S; Cherney, M; Cheshkov, C; Cheynis, B; Chiavassa, E; Chibante Barroso, V; Chinellato, D D; Chochula, P; Chojnacki, M; Christakoglou, P; Christensen, C H; Christiansen, P; Chujo, T; Cicalo, C; Cifarelli, L; Cindolo, F; Cleymans, J; Coccetti, F; Coffin, J P; Coli, S; Conesa Balbastre, G; Conesa del Valle, Z; Constantin, P; Contin, G; Contreras, J G; Cormier, T M; Corrales Morales, Y; Cortes Maldonado, I; Cortese, P; Cosentino, M R; Costa, F; Cotallo, M E; Crescio, E; Crochet, P; Cuautle, E; Cunqueiro, L; D'Erasmo, G; Dainese, A; Dalsgaard, H H; Danu, A; Das, D; Das, I; Das, K; Dash, A; Dash, S; De, S; De Azevedo Moregula, A; de Barros, G O V; De Caro, A; de Cataldo, G; de Cuveland, J; De Falco, A; De Gruttola, D; De Marco, N; De Pasquale, S; De Remigis, R; de Rooij, R; Debski, P R; Del Castillo Sanchez, E; Delagrange, H; Delgado Mercado, Y; Dellacasa, G; Deloff, A; Demanov, V; Denes, E; Deppman, A; Di Bari, D; Di Giglio, C; Di Liberto, S; Di Mauro, A; Di Nezza, P; Dietel, T; Divia, R; Djuvsland, O; Dobrin, A; Dobrowolski, T; Dominguez, I; Donigus, B; Dordic, O; Driga, O; Dubey, A K; Dubuisson, J; Ducroux, L; Dupieux, P; Dutta Majumdar, A K; Dutta Majumdar, M R; Elia, D; Emschermann, D; Engel, H; Erdal, H A; Espagnon, B; Estienne, M; Esumi, S; Evans, D; Evrard, S; Eyyubova, G; Fabjan, C W; Fabris, D; Faivre, J; Falchieri, D; Fantoni, A; Fasel, M; Fearick, R; Fedunov, A; Fehlker, D; Fekete, V; Felea, D; Feofilov, G; Fernandez Tellez, A; Ferretti, A; Ferretti, R; Figiel, J; Figueredo, M A S; Filchagin, S; Fini, R; Finogeev, D; Fionda, F M; Fiore, E M; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Fragkiadakis, M; Frankenfeld, U; Fuchs, U; Furano, F; Furget, C; Fusco Girard, M; Gaardhoje, J J; Gadrat, S; Gagliardi, M; Gago, A; Gallio, M; Gangadharan, D R; Ganoti, P; Ganti, M S; Garabatos, C; Garcia-Solis, E; Garishvili, I; Gemme, R; Gerhard, J; Germain, M; Geuna, C; Gheata, A; Gheata, M; Ghidini, B; Ghosh, P; Gianotti, P; Girard, M R; Giraudo, G; Giubellino, P; Gladysz-Dziadus, E; Glassel, P; Gomez, R; Ferreiro, E G; Gonzalez Santos, H; González-Trueba, L H; González-Zamora, P; Gorbunov, S; Gotovac, S; Grabski, V; Grajcarek, R; Grelli, A; Grigoras, A; Grigoras, C; Grigoriev, V; Grigoryan, A; Grigoryan, S; Grinyov, B; Grion, N; Gros, P; Grosse-Oetringhaus, J F; Grossiord, J Y; Grosso, R; Guber, F; Guernane, R; Guerra Gutierrez, C; Guerzoni, B; Gulbrandsen, K; Gunji, T; Gupta, A; Gupta, R; Gutbrod, H; Haaland, O; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Harris, J W; Hartig, M; Hasch, D; Hasegan, D; Hatzifotiadou, D; Hayrapetyan, A; Heide, M; Heinz, M; Helstrup, H; Herghelegiu, A; Hernandez, C; Herrera Corral, G; Herrmann, N; Hetland, K F; Hicks, B; Hille, P T; Hippolyte, B; Horaguchi, T; Hori, Y; Hristov, P; Hrivnacova, I; Huang, M; Huber, S; Humanic, T J; Hwang, D S; Ichou, R; Ilkaev, R; Ilkiv, I; Inaba, M; Incani, E; Innocenti, G M; Innocenti, P G; Ippolitov, M; Irfan, M; Ivan, C; Ivanov, A; Ivanov, M; Ivanov, V; Jacholkowski, A; Jacobs, P M; Jancurova, L; Jangal, S; Janik, R; Jena, S; Jirden, L; Jones, G T; Jones, P G; Jovanovic, P; Jung, H; Jung, W; Jusko, A; Kalcher, S; Kalinak, P; Kalisky, M; Kalliokoski, T; Kalweit, A; Kamermans, R; Kanaki, K; Kang, E; Kang, J H; Kaplin, V; Karavichev, O; Karavicheva, T; Karpechev, E; Kazantsev, A; Kebschull, U; Keidel, R; Khan, M M; Khan, S A; Khanzadeev, A; Kharlov, Y; Kileng, B; Kim, D J; Kim, D S; Kim, D W; Kim, H N; Kim, J H; Kim, J S; Kim, M; Kim, M; Kim, S; Kim, S H; Kirsch, S; Kisel, I; Kiselev, S; Kisiel, A; Klay, J L; Klein, J; Klein-Bosing, C; Kliemant, M; Klovning, A; Kluge, A; Knichel, M L; Koch, K; Kohler, M; Kolevatov, R; Kolojvari, A; Kondratiev, V; Kondratyeva, N; Konevskih, A; Kornas, E; Kottachchi Kankanamge Don, C; Kour, R; Kowalski, M; Kox, S; Koyithatta Meethaleveedu, G; Kozlov, K; Kral, J; Kralik, I; Kramer, F; Kraus, I; Krawutschke, T; Kretz, M; Krivda, M; Krizek, F; Krumbhorn, D; Krus, M; Kryshen, E; Krzewicki, M; Kucheriaev, Y; Kuhn, C; Kuijer, P G; Kurashvili, P; Kurepin, A; Kurepin, A B; Kuryakin, A; Kushpil, S; Kushpil, V; Kweon, M J; Kwon, Y; La Rocca, P; Ladron de Guevara, P; Lafage, V; Lara, C; Lardeux, A; Larsen, D T; Lazzeroni, C; Le Bornec, Y; Lea, R; Lee, K S; Lee, S C; Lefevre, F; Lehnert, J; Leistam, L; Lenhardt, M; Lenti, V; Leon Monzon, I; Leon Vargas, H; Levai, P; Li, X; Lien, J; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Liu, L; Loenne, P I; Loggins, V R; Loginov, V; Lohn, S; Loizides, C; Loo, K K; Lopez, X; Lopez Noriega, M; Lopez Torres, E; Lovhoiden, G; Lu, X G; Luettig, P; Lunardon, M; Luparello, G; Luquin, L; Luzzi, C; Ma, K; Ma, R; Madagodahettige-Don, D M; Maevskaya, A; Mager, M; Mahapatra, D P; Maire, A; Mal'Kevich, D; Malaev, M; Maldonado Cervantes, I; Malinina, L; Malzacher, P; Mamonov, A; Manceau, L; Mangotra, L; Manko, V; Manso, F; Manzari, V; Mao, Y; Mares, J; Margagliotti, G V; Margotti, A; Marin, A; Markert, C; Martashvili, I; Martinengo, P; Martinez, M I; Martinez Davalos, A; Martinez Garcia, G; Martynov, Y; Masciocchi, S; Masera, M; Masoni, A; Massacrier, L; Mastromarco, M; Mastroserio, A; Matthews, Z L; Matyja, A; Mayani, D; Mayer, C; Mazza, G; Mazzoni, M A; Meddi, F; Menchaca-Rocha, A; Mendez Lorenzo, P; Menis, I; Mercado Perez, J; Meres, M; Mereu, P; Miake, Y; Midori, J; Milano, L; Milosevic, J; Mischke, A; Miskowiec, D; Mitu, C; Mlynarz, J; Mohanty, A K; Mohanty, B; Molnar, L; Montano Zetina, L; Monteno, M; Montes, E; Morando, M; Moreira De Godoy, D A; Moretto, S; Morsch, A; Muccifora, V; Mudnic, E; Muhuri, S; Muller, H; Munhoz, M G; Munoz, J; Musa, L; Musso, A; Nandi, B K; Nania, R; Nappi, E; Nattrass, C; Navach, F; Navin, S; Nayak, T K; Nazarenko, S; Nazarov, G; Nedosekin, A; Nendaz, F; Newby, J; Nicassio, M; Nielsen, B S; Niida, T; Nikolaev, S; Nikolic, V; Nikulin, S; Nikulin, V; Nilsen, B S; Nilsson, M S; Noferini, F; Nooren, G; Novitzky, N; Nyanin, A; Nyatha, A; Nygaard, C; Nystrand, J; Obayashi, H; Ochirov, A; Oeschler, H; Oh, S K; Oleniacz, J; Oppedisano, C; Ortiz Velasquez, A; Ortona, G; Oskarsson, A; Ostrowski, P; Otterlund, I; Otwinowski, J; Oyama, K; Ozawa, K; Pachmayer, Y; Pachr, M; 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Truesdale, D; Trzaska, W H; Tsuji, T; Tumkin, A; Turrisi, R; Turvey, A J; Tveter, T S; Ulery, J; Ullaland, K; Uras, A; Urban, J; Urciuoli, G M; Usai, G L; Vacchi, A; Vajzer, M; Vala, M; Valencia Palomo, L; Vallero, S; van der Kolk, N; van Leeuwen, M; Vande Vyvre, P; Vannucci, L; Vargas, A; Varma, R; Vasileiou, M; Vasiliev, A; Vechernin, V; Veldhoen, M; Venaruzzo, M; Vercellin, E; Vergara, S; Vernekohl, D C; Vernet, R; Verweij, M; Vickovic, L; Viesti, G; Vikhlyantsev, O; Vilakazi, Z; Villalobos Baillie, O; Vinogradov, A; Vinogradov, L; Vinogradov, Y; Virgili, T; Viyogi, Y P; Vodopyanov, A; Voloshin, K; Voloshin, S; Volpe, G; von Haller, B; Vranic, D; Ovrebekk, G; Vrlakova, J; Vulpescu, B; Vyushin, A; Wagner, B; Wagner, V; Wan, R; Wang, D; Wang, Y; Wang, Y; Watanabe, K; Wessels, J P; Westerhoff, U; Wiechula, J; Wikne, J; Wilde, M; Wilk, A; Wilk, G; Williams, M C S; Windelband, B; Xaplanteris Karampatsos, L; Yang, H; Yang, S; Yasnopolskiy, S; Yi, J; Yin, Z; Yokoyama, H; Yoo, I K; Yu, W; Yuan, X; Yushmanov, I; Zabrodin, E; Zach, C; Zampolli, C; Zaporozhets, S; Zarochentsev, A; Zavada, P; Zaviyalov, N; Zbroszczyk, H; Zelnicek, P; Zenin, A; Zgura, I; Zhalov, M; Zhang, X; Zhou, D; Zichichi, A; Zinovjev, G; Zoccarato, Y; Zynovyev, M

    2010-01-01

    The first measurement of the charged-particle multiplicity density at mid-rapidity in Pb-Pb collisions at a centre-of-mass energy per nucleon pair sqrt(sNN) = 2.76 TeV is presented. For an event sample corresponding to the most central 5% of the hadronic cross section the pseudo-rapidity density of primary charged particles at mid-rapidity is 1584 +- 4 (stat) +- 76 (sys.), which corresponds to 8.3 +- 0.4 (sys.) per participating nucleon pair. This represents an increase of about a factor 1.9 relative to pp collisions at similar collision energies, and about a factor 2.2 to central Au-Au collisions at sqrt(sNN) = 0.2 TeV. This measurement provides the first experimental constraint for models of nucleus-nucleus collisions at LHC energies.

  4. Infrared nanoimaging of the metal-insulator transition in the charge-density-wave van der Waals material 1 T -TaS2

    Science.gov (United States)

    Frenzel, Alex J.; McLeod, Alexander S.; Wang, Dennis Zi-Ren; Liu, Yu; Lu, Wenjian; Ni, Guangxin; Tsen, Adam W.; Sun, Yuping; Pasupathy, Abhay N.; Basov, D. N.

    2018-01-01

    Using scanning near-field optical microscopy at cryogenic temperatures, we explored the first-order metal-insulator transition of exfoliated 1 T -TaS2 microcrystals on a SiO2/Si substrate. We clearly observed spatially separated metallic and insulating states during the transition between commensurate and nearly commensurate charge-density-wave phases. The capability to probe electrodynamics on nanometer length scales revealed temperature-dependent electronic properties of the insulating and metallic regions near the transition temperature. At fixed temperature, a remarkably broad spatial boundary between insulating and metallic regions was observed, across which the nano-optical signal smoothly evolved over a length scale of several hundred nanometers. To understand these observations, we performed Ginzburg-Landau calculations to determine the charge-density-wave structure of the domain boundary, which revealed the existence of an intermediate electronic phase with unique properties distinct from the bulk thermodynamic phases.

  5. Modeling the effect of charge density in the active layers of reverse osmosis and nanofiltration membranes on the rejection of arsenic(III) and potassium iodide.

    Science.gov (United States)

    Coronell, Orlando; Mi, Baoxia; Mariñas, Benito J; Cahill, David G

    2013-01-02

    We used an extended solution-diffusion model that incorporates Donnan electrostatic exclusion of ions and unhindered advection due to imperfections, and measurements of charge density in the polyamide active layers of reverse osmosis (RO) and nanofiltration (NF) membranes, to predict the rejection of a strong electrolyte (i.e., potassium iodide) and a weak acid (i.e., arsenious acid) as a function of the pH of the feed aqueous solution. Predictions of solute rejection were in agreement with experimental data indicating that (i) the extended solution-diffusion model taking into account Donnan exclusion and unhindered advection due to imperfections satisfactorily describes the effect of pH on solute rejection by RO/NF membranes and (ii) measurement of charge density in active layers provides a valuable characterization of RO/NF membranes. Our results and analysis also indicate that independent ions, and not ion pairs, dominate the permeation of salts.

  6. Spin-density-wave antiferromagnetism in the chromium system III Effects of volume strain and doping in Cr alloys

    Energy Technology Data Exchange (ETDEWEB)

    Fawcett, E. [Toronto Univ., ON (Canada). Dept. of Physics

    1997-08-01

    Decreasing the volume by applying pressure in many Cr alloy systems Cr{sub 1-x}A{sub x} produces a similar magnetic phase diagram to that obtained at ambient pressure by changing the concentration x of the dopant A. In several cases a decrease in electron concentration, in a rigid-band model, parallels a decrease in volume (and conversely). The experimental data are reviewed in terms of a universal magnetic phase diagram. It is proposed, in view of the failure of the canonical model of nesting electron and hole Fermi surfaces, which is commonly used to account for variation with composition of the magnetic properties of spin-density-wave Cr alloys, to explain the close parallelism between the effects of pressure and alloy composition, that their strong volume dependence has a quite different origin. The use of the magnetic anomalies around the ordering temperature in the thermal expansion and the bulk modulus is critically reviewed. (orig.). 25 refs.

  7. Volume and density of microglomeruli in the honey bee mushroom bodies do not predict performance on a foraging task.

    Science.gov (United States)

    Van Nest, Byron N; Wagner, Ashley E; Marrs, Glen S; Fahrbach, Susan E

    2017-09-01

    The mushroom bodies (MBs) are insect brain regions important for sensory integration, learning, and memory. In adult worker honey bees (Apis mellifera), the volume of neuropil associated with the MBs is larger in experienced foragers compared with hive bees and less experienced foragers. In addition, the characteristic synaptic structures of the calycal neuropils, the microglomeruli, are larger but present at lower density in 35-day-old foragers relative to 1-day-old workers. Age- and experience-based changes in plasticity of the MBs are assumed to support performance of challenging tasks, but the behavioral consequences of brain plasticity in insects are rarely examined. In this study, foragers were recruited from a field hive to a patch comprising two colors of otherwise identical artificial flowers. Flowers of one color contained a sucrose reward mimicking nectar; flowers of the second were empty. Task difficulty was adjusted by changing flower colors according to the principle of honey bee color vision space. Microglomerular volume and density in the lip (olfactory inputs) and collar (visual inputs) compartments of the MB calyces were analyzed using anti-synapsin I immunolabeling and laser scanning confocal microscopy. Foragers displayed significant variation in microglomerular volume and density, but no correlation was found between these synaptic attributes and foraging performance. © 2017 Wiley Periodicals, Inc. Develop Neurobiol 77: 1057-1071, 2017. © 2017 Wiley Periodicals, Inc.

  8. A single predator charging a herd of prey: effects of self volume and predator-prey decision-making

    CERN Document Server

    Schwarzl, M; Oshanin, G; Metzler, R

    2016-01-01

    We study the degree of success of a single predator hunting a herd of prey on a two dimensional square lattice landscape. We explicitly consider the self volume of the prey restraining their dynamics on the lattice. The movement of both predator and prey is chosen to include an intelligent, decision making step based on their respective sighting ranges, the radius in which they can detect the other species (prey cannot recognise each other besides the self volume interaction): after spotting each other the motion of prey and predator turns from a nearest neighbour random walk into direct escape or chase, respectively. We consider a large range of prey densities and sighting ranges and compute the mean first passage time for a predator to catch a prey as well as characterise the effective dynamics of the hunted prey. We find that the prey's sighting range dominates their life expectancy and the predator profits more from a bad eyesight of the prey than from his own good eye sight. We characterise the dynamics ...

  9. Quantifying Baseline Fixed Charge Density in Healthy Human Cartilage Endplate: A Two-point Electrical Conductivity Method.

    Science.gov (United States)

    Wu, Yongren; Cisewski, Sarah E; Sun, Yi; Damon, Brooke J; Sachs, Barton L; Pellegrini, Vincent D; Slate, Elizabeth H; Yao, Hai

    2017-09-01

    Regional measurements of fixed charge densities (FCDs) of healthy human cartilage endplate (CEP) using a two-point electrical conductivity approach. The aim of this study was to determine the FCDs at four different regions (central, lateral, anterior, and posterior) of human CEP, and correlate the FCDs with tissue biochemical composition. The CEP, a thin layer of hyaline cartilage on the cranial and caudal surfaces of the intervertebral disc, plays an irreplaceable role in maintaining the unique physiological mechano-electrochemical environment inside the disc. FCD, arising from the carboxyl and sulfate groups of the glycosaminoglycans (GAG) in the extracellular matrix of the disc, is a key regulator of the disc ionic and osmotic environment through physicochemical and electrokinetic effects. Although FCDs in the annulus fibrosus (AF) and nucleus pulposus (NP) have been reported, quantitative baseline FCD in healthy human CEP has not been reported. CEP specimens were regionally isolated from human lumbar spines. FCD and ion diffusivity were concurrently investigated using a two-point electrical conductivity method. Biochemical assays were used to quantify regional GAG and water content. FCD in healthy human CEP was region-dependent, with FCD lowest in the lateral region (P = 0.044). Cross-region FCD was 30% to 60% smaller than FCD in NP, but similar to the AF and articular cartilage (AC). CEP FCD (average: 0.12 ± 0.03 mEq/g wet tissue) was correlated with GAG content (average: 31.24 ± 5.06 μg/mg wet tissue) (P = 0.005). In addition, the cross-region ion diffusivity in healthy CEP (2.97 ± 1.00 × 10 cm/s) was much smaller than the AF and NP. Healthy human CEP acts as a biomechanical interface, distributing loads between the bony vertebral body and soft disc tissues and as a gateway impeding rapid solute diffusion through the disc. N/A.

  10. Centrality Dependence of the Charged-Particle Multiplicity Density at Midrapidity in Pb-Pb Collisions at sNN=5.02TeV

    NARCIS (Netherlands)

    Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahn, S. U.; Aiola, S.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Almaraz, J. R. M.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arnaldi, R.; Arnold, O. W.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Balasubramanian, S.; Baldisseri, A.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-moreno, E.; Belyaev, V.; Benacek, P.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biro, G.; Biswas, R.; Biswas, S.; Bjelogrlic, S.; Blair, J. T.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botta, E.; Bourjau, C.; Braun-munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Ceballos Sanchez, C.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chauvin, A.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Cho, S.; Chochula, P.; Choi, K.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danisch, M. C.; Danu, A.; Das, I.; Das, S.; Dash, A.; Dash, S.; De, S.; De Caro, A.; De Cataldo, G.; De Conti, C.; De Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; Deisting, A.; Deloff, A.; Dénes, E.; Deplano, C.; Dhankher, P.; Di Bari, D.; Di Mauro, A.; Di Nezza, P.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Endress, E.; Engel, H.; Epple, E.; Erazmus, B.; Erdemir, I.; Erhardt, F.; Espagnon, B.; Estienne, M.; Esumi, S.; Eum, J.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fronze, G. G.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-solis, E.; Gargiulo, C.; Gasik, P.; Gauger, E. F.; Germain, M.; Gheata, A.; Gheata, M.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; Gonzalez, V.; González-zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Grachov, O. A.; Graczykowski, L. K.; Graham, K. L.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Gronefeld, J. M.; Grosse-oetringhaus, J. F.; Grossiord, J.-y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gunji, T.; Gupta, A.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hamon, J. C.; Harris, J. W.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hillemanns, H.; Hippolyte, B.; Horak, D.; Hosokawa, R.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Inaba, M.; Incani, E.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacazio, N.; Jadhav, M. B.; Jadlovska, S.; Jadlovsky, J.; Jahnke, C.; Jakubowska, M. J.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Mohisin Khan, M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, D. W.; Kim, D. J.; Kim, D.; Kim, J. S.; Kim, M.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein-bösing, C.; Klewin, S.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kostarakis, P.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Koyithatta Meethaleveedu, G.; Králik, I.; Kravčáková, A.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Kubera, A. M.; Kučera, V.; Kuijer, P. G.; Kumar, J.; Kumar, L.; Kumar, S.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Ladron De Guevara, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, G. R.; Lee, S.; Lehas, F.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; León Vargas, H.; Leoncino, M.; Lévai, P.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Lutz, T. H.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal’kevich, D.; Malzacher, P.; Mamonov, A.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martin Blanco, J.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; Mcdonald, D.; Meddi, F.; Melikyan, Y.; Menchaca-rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Minervini, L. M.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Moreira De Godoy, D. A.; Moreno, L. A. P.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Munzer, R. H.; Murakami, H.; Murray, S.; Musa, L.; Musinsky, J.; Naik, B.; Nair, R.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Natal Da Luz, H.; Nattrass, C.; Navarro, S. R.; Nayak, K.; Nayak, R.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira Da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Orava, R.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, P.; Paić, G.; Pal, S. K.; Pan, J.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Pei, H.; Peitzmann, T.; Pereira Da Costa, H.; Peresunko, D.; Pérez Lara, C. E.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pimentel, L. O. D. L.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poonsawat, W.; Pop, A.; Porteboeuf-houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Rami, F.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Read, K. F.; Redlich, K.; Reed, R. J.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Revol, J.-p.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Šándor, L.; Sandoval, A.; Sano, M.; Sarkar, D.; Sarma, P.; Scapparone, E.; Scarlassara, F.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Šefčík, M.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Senyukov, S.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, M.; Sharma, M.; Sharma, N.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Søgaard, C.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; De Souza, R. D.; Sozzi, F.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-stassinaki, M.; Stachel, J.; Stan, I.; Stankus, P.; Stefanek, G.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Suljic, M.; Sultanov, R.; Šumbera, M.; Szabo, A.; Szanto De Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Tabassam, U.; Takahashi, J.; Tambave, G. J.; Tanaka, N.; Tangaro, M. A.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trombetta, G.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; Van Der Maarel, J.; Van Hoorne, J. W.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vechernin, V.; Veen, A. M.; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Villatoro Tello, A.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; Von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Watanabe, D.; Watanabe, Y.; Weiser, D. F.; Westerhoff, U.; Whitehead, A. M.; Wiechula, J.; Wikne, J.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yano, S.; Yasar, C.; Yokoyama, H.; Yoo, I.-k.; Yoon, J. H.; Yurchenko, V.; Yushmanov, I.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, C.; Zhao, C.; Zhigareva, N.; Zhou, Z.; Zhu, H.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.

    2016-01-01

    The pseudorapidity density of charged particles, dN ch /dη , at midrapidity in Pb-Pb collisions has been measured at a center-of-mass energy per nucleon pair of s NN − − − − √ =5.02  TeV . For the 5% most central collisions, we measure a value of 1943±54 . The rise in dN ch /dη as a function of s NN

  11. Charge density waves in nanocrystalline thin films of blue bronze K{sub 0.3}MoO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Staresinic, D., E-mail: damirs@ifs.hr [Institute of Physics, P.O. Box 304, HR-10001 Zagreb (Croatia); Dominko, D., E-mail: ddominko@ifs.hr [Institute of Physics, P.O. Box 304, HR-10001 Zagreb (Croatia); Salamon, K., E-mail: ksalamon@ifs.hr [Institute of Physics, P.O. Box 304, HR-10001 Zagreb (Croatia); Biljakovic, K., E-mail: katica@ifs.hr [Institute of Physics, P.O. Box 304, HR-10001 Zagreb (Croatia); Tomeljak, A., E-mail: atomeljak@gmail.com [J. Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Department of Physics and Center for Applied Optics, University of Konstanz, D-78457 Konstanz (Germany); Schaefer, H., E-mail: hanjo.schaefer@uni-konstanz.de [Department of Physics and Center for Applied Optics, University of Konstanz, D-78457 Konstanz (Germany); Huber, T., E-mail: tim.huber@uni-konstanz.de [Department of Physics and Center for Applied Optics, University of Konstanz, D-78457 Konstanz (Germany); Demsar, J., E-mail: jure.demsar@uni-konstanz.de [J. Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Department of Physics and Center for Applied Optics, University of Konstanz, D-78457 Konstanz (Germany); Socol, G., E-mail: gabriel.socol@inflpr.ro [Laser-Surface-Plasma Interactions Laboratory, Lasers Department, National Institute for Lasers, Plasma and Radiation Physics, P.O. Box MG-54, Magurele, Ilfov (Romania); Ristoscu, C., E-mail: carmen.ristoscu@inflpr.ro [Laser-Surface-Plasma Interactions Laboratory, Lasers Department, National Institute for Lasers, Plasma and Radiation Physics, P.O. Box MG-54, Magurele, Ilfov (Romania); Mihailescu, I.N., E-mail: ion.mihailescu@inflpr.ro [Laser-Surface-Plasma Interactions Laboratory, Lasers Department, National Institute for Lasers, Plasma and Radiation Physics, P.O. Box MG-54, Magurele, Ilfov (Romania); Siketic, Z., E-mail: zsiketic@irb.hr [Ruder Boskovic Institute, Bijenicka 54, Zagreb (Croatia)

    2012-06-01

    Thin granular films of charge density wave (CDW) system K{sub 0.3}MoO{sub 3} were prepared by pulsed laser deposition and investigated by various standard characterization methods such as GI-XRD, electric transport, TOF-ERDA, AFM and UV-visible spectroscopy. While all these methods indicate that the thin films consist of nanometer grains of K{sub 0.3}MoO{sub 3}, it is only the non-destructive femtosecond time-resolved spectroscopy (fsTRS) that demonstrates the charge density wave nature of the ground state and therefore proves directly the presence of K{sub 0.3}MoO{sub 3}. Furthermore, the comparison of the fsTRS data obtained in thin films and in single crystals shows the reduction of the charge density wave transition temperature and of the photoinduced signal strength in granular thin films with respect to single crystals, which is attributed to the granularity and crystal growth morphology. Our results establish fsTRS technique as the essential tool for the detection and characterization of complex ground states in nano-sized systems.

  12. Model-independent measurement of the charge density distribution along an Fe atom probe needle using off-axis electron holography without mean inner potential effects

    Energy Technology Data Exchange (ETDEWEB)

    Migunov, V., E-mail: v.migunov@fz-juelich.de; Dunin-Borkowski, R. E. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons (ER-C) and Peter Grünberg Institute (PGI), Forschungszentrum Jülich, D-52425 Jülich (Germany); London, A. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Farle, M. [Fakultät für Physik and Center of Nanointegration (CeNIDE), Universität Duisburg-Essen, D-47048 Duisburg (Germany)

    2015-04-07

    The one-dimensional charge density distribution along an electrically biased Fe atom probe needle is measured using a model-independent approach based on off-axis electron holography in the transmission electron microscope. Both the mean inner potential and the magnetic contribution to the phase shift are subtracted by taking differences between electron-optical phase images recorded with different voltages applied to the needle. The measured one-dimensional charge density distribution along the needle is compared with a similar result obtained using model-based fitting of the phase shift surrounding the needle. On the assumption of cylindrical symmetry, it is then used to infer the three-dimensional electric field and electrostatic potential around the needle with ∼10 nm spatial resolution, without needing to consider either the influence of the perturbed reference wave or the extension of the projected potential outside the field of view of the electron hologram. The present study illustrates how a model-independent approach can be used to measure local variations in charge density in a material using electron holography in the presence of additional contributions to the phase, such as those arising from changes in mean inner potential and specimen thickness.

  13. Injection-modulated polarity conversion by charge carrier density control via a self-assembled monolayer for all-solution-processed organic field-effect transistors.

    Science.gov (United States)

    Roh, Jeongkyun; Lee, Taesoo; Kang, Chan-Mo; Kwak, Jeonghun; Lang, Philippe; Horowitz, Gilles; Kim, Hyeok; Lee, Changhee

    2017-04-12

    We demonstrated modulation of charge carrier densities in all-solution-processed organic field-effect transistors (OFETs) by modifying the injection properties with self-assembled monolayers (SAMs). The all-solution-processed OFETs based on an n-type polymer with inkjet-printed Ag electrodes were fabricated as a test platform, and the injection properties were modified by the SAMs. Two types of SAMs with different dipole direction, thiophenol (TP) and pentafluorobenzene thiol (PFBT) were employed, modifying the work function of the inkjet-printed Ag (4.9 eV) to 4.66 eV and 5.24 eV with TP and PFBT treatments, respectively. The charge carrier densities were controlled by the SAM treatment in both dominant and non-dominant carrier-channel regimes. This work demonstrates that control of the charge carrier densities can be efficiently achieved by modifying the injection property with SAM treatment; thus, this approach can achieve polarity conversion of the OFETs.

  14. Investigation of space charge distribution of low-density polyethylene/GO-GNF (graphene oxide from graphite nanofiber) nanocomposite for HVDC application.

    Science.gov (United States)

    Kim, Yoon Jin; Ha, Son-Tung; Lee, Gun Joo; Nam, Jin Ho; Ryu, Ik Hyun; Nam, Su Hyun; Park, Cheol Min; In, Insik; Kim, Jiwan; Han, Chul Jong

    2013-05-01

    This paper reported a research on space charge distribution in low-density polyethylene (LDPE) nanocomposites with different types of graphene and graphene oxide (GO) at low filler content (0.05 wt%) under high DC electric field. Effect of addition of graphene oxide or graphene, its dispersion in LDPE polymer matrix on the ability to suppress space charge generation will be investigated and compared with MgO/LDPE nanocomposite at the same filler concentration. At an applied electric field of 80 kV/mm, a positive packet-like charge was observed in both neat LDPE, MgO/LDPE, and graphene/LDPE nanocomposites, whereas only little homogenous space charge was observed in GO/LDPE nanocomposites, especially with GO synthesized from graphite nano fiber (GNF) which is only -100 nm in diameter. Our research also suggests that dispersion of graphene oxide particles on the polymer matrix plays a significant role to the performance of nanocomposites on suppressing packet-like space charge. From these results, it is expected that nano-sized GO synthesized from GNF can be a promising filler material to LDPE composite for HVDC applications.

  15. Charge-density analysis of an iron-sulfur protein at an ultra-high resolution of 0.48 Å.

    Science.gov (United States)

    Hirano, Yu; Takeda, Kazuki; Miki, Kunio

    2016-06-09

    The fine structures of proteins, such as the positions of hydrogen atoms, distributions of valence electrons and orientations of bound waters, are critical factors for determining the dynamic and chemical properties of proteins. Such information cannot be obtained by conventional protein X-ray analyses at 3.0-1.5 Å resolution, in which amino acids are fitted into atomically unresolved electron-density maps and refinement calculations are performed under strong restraints. Therefore, we usually supplement the information on hydrogen atoms and valence electrons in proteins with pre-existing common knowledge obtained by chemistry in small molecules. However, even now, computational calculation of such information with quantum chemistry also tends to be difficult, especially for polynuclear metalloproteins. Here we report a charge-density analysis of the high-potential iron-sulfur protein from the thermophilic purple bacterium Thermochromatium tepidum using X-ray data at an ultra-high resolution of 0.48 Å. Residual electron densities in the conventional refinement are assigned as valence electrons in the multipolar refinement. Iron 3d and sulfur 3p electron densities of the Fe4S4 cluster are visualized around the atoms. Such information provides the most detailed view of the valence electrons of the metal complex in the protein. The asymmetry of the iron-sulfur cluster and the protein environment suggests the structural basis of charge storing on electron transfer. Our charge-density analysis reveals many fine features around the metal complex for the first time, and will enable further theoretical and experimental studies of metalloproteins.

  16. Associations of cardiovascular disease risk factors with abdominal aortic calcium volume and density: The Multi-Ethnic Study of Atherosclerosis (MESA).

    Science.gov (United States)

    Forbang, Nketi I; McClelland, Robyn L; Remigio-Baker, Rosemay A; Allison, Matthew A; Sandfort, Veit; Michos, Erin D; Thomas, Isac; Rifkin, Dena E; Criqui, Michael H

    2016-12-01

    Abdominal aortic calcium (AAC) predicts future cardiovascular disease (CVD) events and all-cause mortality independent of CVD risk factors. The standard AAC score, the Agatston, up-weights for greater calcium density, and thus models higher calcium density as associated with increased CVD risk. We determined associations of CVD risk factors with AAC volume and density (separately). In a multi-ethnic cohort of community living adults, we used abdominal computed tomography scans to measure AAC volume and density. Multivariable linear regression was used to determine the period cross-sectional independent associations of CVD risk factors with AAC volume and AAC density in participants with prevalent AAC. Among 1413 participants with non-zero AAC scores, the mean age was 65 ± 9 years, 52% were men, 44% were European-, 24% were Hispanic-, 18% were African-, and 14% were Chinese Americans (EA, HA, AA, and CA respectively). Median (interquartile range, IQR) for AAC volume was 628 mm3 (157-1939 mm3), and mean AAC density was 3.0 ± 0.6. Compared to EA, each of HA, AA, and CA had lower natural log (ln) AAC volume, but higher AAC density. After adjustments for AAC density, older age, ever smoking history, higher systolic blood pressure, elevated total cholesterol, reduced HDL cholesterol, statin and anti-hypertensive medication use, family history of myocardial infarction, and alcohol consumption were significantly associated with higher ln(AAC volume). In contrast, after adjustments for ln(AAC volume), older age, ever smoking history, higher BMI, and lower HDL cholesterol were significantly associated with lower AAC density. Several CVD risk factors were associated with higher AAC volume, but lower AAC density. Future studies should investigate the impact of calcium density of aortic plaques in CVD. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  17. Centrality dependence of the pseudorapidity density distribution for charged particles in Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV

    CERN Document Server

    Abbas, Ehab; Adam, Jaroslav; Adamova, Dagmar; Adare, Andrew Marshall; Aggarwal, Madan; Aglieri Rinella, Gianluca; Agnello, Michelangelo; Agocs, Andras Gabor; Agostinelli, Andrea; Ahammed, Zubayer; Ahmad, Arshad; Ahmad, Nazeer; Ahn, Sang Un; Ahn, Sul-Ah; Aimo, Ilaria; Ajaz, Muhammad; Akindinov, Alexander; Aleksandrov, Dmitry; Alessandro, Bruno; Alici, Andrea; Alkin, Anton; Almaraz Avina, Erick Jonathan; Alme, Johan; Alt, Torsten; Altini, Valerio; Altinpinar, Sedat; Altsybeev, Igor; Andrei, Cristian; Andronic, Anton; Anguelov, Venelin; Anielski, Jonas; Anson, Christopher Daniel; Anticic, Tome; Antinori, Federico; Antonioli, Pietro; Aphecetche, Laurent Bernard; Appelshauser, Harald; Arbor, Nicolas; Arcelli, Silvia; Arend, Andreas; Armesto, Nestor; Arnaldi, Roberta; Aronsson, Tomas Robert; Arsene, Ionut Cristian; Arslandok, Mesut; Asryan, Andzhey; Augustinus, Andre; Averbeck, Ralf Peter; Awes, Terry; Aysto, Juha Heikki; Azmi, Mohd Danish; Bach, Matthias Jakob; Badala, Angela; Baek, Yong Wook; Bailhache, Raphaelle Marie; Bala, Renu; Baldisseri, Alberto; Baltasar Dos Santos Pedrosa, Fernando; Ban, Jaroslav; Baral, Rama Chandra; Barbera, Roberto; Barile, Francesco; Barnafoldi, Gergely Gabor; Barnby, Lee Stuart; Barret, Valerie; Bartke, Jerzy Gustaw; Basile, Maurizio; Bastid, Nicole; Basu, Sumit; Bathen, Bastian; Batigne, Guillaume; Batyunya, Boris; Batzing, Paul Christoph; Baumann, Christoph Heinrich; Bearden, Ian Gardner; Beck, Hans; Behera, Nirbhay Kumar; Belikov, Iouri; Bellini, Francesca; Bellwied, Rene; Belmont-Moreno, Ernesto; Bencedi, Gyula; Beole, Stefania; Berceanu, Ionela; Bercuci, Alexandru; Berdnikov, Yaroslav; Berenyi, Daniel; Bergognon, Anais Annick Erica; Bertens, Redmer Alexander; Berzano, Dario; Betev, Latchezar; Bhasin, Anju; Bhati, Ashok Kumar; Bhom, Jihyun; Bianchi, Nicola; Bianchi, Livio; Bianchin, Chiara; Bielcik, Jaroslav; Bielcikova, Jana; Bilandzic, Ante; Bjelogrlic, Sandro; Blanco, F; Blanco, Francesco; Blau, Dmitry; Blume, Christoph; Boccioli, Marco; Boettger, Stefan; Bogdanov, Alexey; Boggild, Hans; Bogolyubsky, Mikhail; Boldizsar, Laszlo; Bombara, Marek; Book, Julian; Borel, Herve; Borissov, Alexander; Bossu, Francesco; Botje, Michiel; Botta, Elena; Braidot, Ermes; Braun-Munzinger, Peter; Bregant, Marco; Breitner, Timo Gunther; Broker, Theo Alexander; Browning, Tyler Allen; Broz, Michal; Brun, Rene; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Bufalino, Stefania; Buncic, Predrag; Busch, Oliver; Buthelezi, Edith Zinhle; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calvo Villar, Ernesto; Camerini, Paolo; Canoa Roman, Veronica; Cara Romeo, Giovanni; Carena, Francesco; Carena, Wisla; Carlin Filho, Nelson; Carminati, Federico; Casanova Diaz, Amaya Ofelia; Castillo Castellanos, Javier Ernesto; Castillo Hernandez, Juan Francisco; Casula, Ester Anna Rita; Catanescu, Vasile; Cavicchioli, Costanza; Ceballos Sanchez, Cesar; Cepila, Jan; Cerello, Piergiorgio; Chang, Beomsu; Chapeland, Sylvain; Charvet, Jean-Luc Fernand; Chattopadhyay, Subhasis; Chattopadhyay, Sukalyan; Cherney, Michael Gerard; Cheshkov, Cvetan; Cheynis, Brigitte; Chibante Barroso, Vasco Miguel; Chinellato, David; Chochula, Peter; Chojnacki, Marek; Choudhury, Subikash; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Chung, Suh-Urk; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Colamaria, Fabio; Colella, Domenico; Collu, Alberto; Conesa Balbastre, Gustavo; Conesa del Valle, Zaida; Connors, Megan Elizabeth; Contin, Giacomo; Contreras, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortese, Pietro; Cortes Maldonado, Ismael; Cosentino, Mauro Rogerio; Costa, Filippo; Cotallo, Manuel Enrique; Crescio, Elisabetta; Crochet, Philippe; Cruz Alaniz, Emilia; Cruz Albino, Rigoberto; Cuautle, Eleazar; Cunqueiro, Leticia; Dainese, Andrea; Dalsgaard, Hans Hjersing; Dang, Ruina; Danu, Andrea; Das, Kushal; Das, Indranil; Das, Supriya; Das, Debasish; Dash, Ajay Kumar; Dash, Sadhana; De, Sudipan; de Barros, Gabriel; De Caro, Annalisa; de Cataldo, Giacinto; de Cuveland, Jan; De Falco, Alessandro; De Gruttola, Daniele; Delagrange, Hugues; Deloff, Andrzej; De Marco, Nora; Denes, Ervin; De Pasquale, Salvatore; Deppman, Airton; D'Erasmo, Ginevra; de Rooij, Raoul Stefan; Diaz Corchero, Miguel Angel; Di Bari, Domenico; Dietel, Thomas; Di Giglio, Carmelo; Di Liberto, Sergio; Di Mauro, Antonio; Di Nezza, Pasquale; Divia, Roberto; Djuvsland, Oeystein; Dobrin, Alexandru Florin; Dobrowolski, Tadeusz Antoni; Donigus, Benjamin; Dordic, Olja; Driga, Olga; Dubey, Anand Kumar; Dubla, Andrea; Ducroux, Laurent; Dupieux, Pascal; Dutta Majumdar, AK; Elia, Domenico; Emschermann, David Philip; Engel, Heiko; Erazmus, Barbara; Erdal, Hege Austrheim; Eschweiler, Dominic; Espagnon, Bruno; Estienne, Magali Danielle; Esumi, Shinichi; Evans, David; Evdokimov, Sergey; Eyyubova, Gyulnara; Fabris, Daniela; Faivre, Julien; Falchieri, Davide; Fantoni, Alessandra; Fasel, Markus; Fehlker, Dominik; Feldkamp, Linus; Felea, Daniel; Feliciello, Alessandro; Fenton-Olsen, Bo; Feofilov, Grigory; Fernandez Tellez, Arturo; Ferretti, Alessandro; Festanti, Andrea; Figiel, Jan; Figueredo, Marcel; Filchagin, Sergey; Finogeev, Dmitry; Fionda, Fiorella; Fiore, Enrichetta Maria; Floratos, Emmanuel; Floris, Michele; Foertsch, Siegfried Valentin; Foka, Panagiota; Fokin, Sergey; Fragiacomo, Enrico; Francescon, Andrea; Frankenfeld, Ulrich Michael; Fuchs, Ulrich; Furget, Christophe; Fusco Girard, Mario; Gaardhoje, Jens Joergen; Gagliardi, Martino; Gago, Alberto; Gallio, Mauro; Gangadharan, Dhevan Raja; Ganoti, Paraskevi; Garabatos, Jose; Garcia-Solis, Edmundo; Gargiulo, Corrado; Garishvili, Irakli; Gerhard, Jochen; Germain, Marie; Geuna, Claudio; Gheata, Andrei George; Gheata, Mihaela; Ghidini, Bruno; Ghosh, Premomoy; Gianotti, Paola; Girard, Martin Robert; Giubellino, Paolo; Gladysz-Dziadus, Ewa; Glassel, Peter; Gomez, Ramon; Gonzalez Ferreiro, Elena; Gonzalez-Trueba, Laura Helena; Gonzalez-Zamora, Pedro; Gorbunov, Sergey; Goswami, Ankita; Gotovac, Sven; Graczykowski, Lukasz Kamil; Grajcarek, Robert; Grelli, Alessandro; Grigoras, Alina Gabriela; Grigoras, Costin; Grigoriev, Vladislav; Grigoryan, Ara; Grigoryan, Smbat; Grinyov, Boris; Grion, Nevio; Gros, Philippe; Grosse-Oetringhaus, Jan Fiete; Grossiord, Jean-Yves; Grosso, Raffaele; Guber, Fedor; Guernane, Rachid; Guerzoni, Barbara; Guilbaud, Maxime Rene Joseph; Gulbrandsen, Kristjan Herlache; Gulkanyan, Hrant; Gunji, Taku; Gupta, Ramni; Gupta, Anik; Haake, Rudiger; Haaland, Oystein Senneset; Hadjidakis, Cynthia Marie; Haiduc, Maria; Hamagaki, Hideki; Hamar, Gergoe; Han, Byounghee; Hanratty, Luke David; Hansen, Alexander; Harmanova, Zuzana; Harris, John William; Hartig, Matthias; Harton, Austin; Hatzifotiadou, Despoina; Hayashi, Shinichi; Hayrapetyan, Arsen; Heckel, Stefan Thomas; Heide, Markus Ansgar; Helstrup, Haavard; Herghelegiu, Andrei Ionut; Herrera Corral, Gerardo Antonio; Herrmann, Norbert; Hess, Benjamin Andreas; Hetland, Kristin Fanebust; Hicks, Bernard; Hippolyte, Boris; Hori, Yasuto; Hristov, Peter Zahariev; Hrivnacova, Ivana; Huang, Meidana; Humanic, Thomas; Hwang, Dae Sung; Ichou, Raphaelle; Ilkaev, Radiy; Ilkiv, Iryna; Inaba, Motoi; Incani, Elisa; Innocenti, Pier Giorgio; Innocenti, Gian Michele; Ippolitov, Mikhail; Irfan, Muhammad; Ivan, Cristian George; Ivanov, Vladimir; Ivanov, Andrey; Ivanov, Marian; Ivanytskyi, Oleksii; Jacholkowski, Adam Wlodzimierz; Jacobs, Peter; Jahnke, Cristiane; Jang, Haeng Jin; Janik, Malgorzata Anna; Jayarathna, Sandun; Jena, Satyajit; Jha, Deeptanshu Manu; Jimenez Bustamante, Raul Tonatiuh; Jones, Peter Graham; Jung, Hyung Taik; Jusko, Anton; Kaidalov, Alexei; Kalcher, Sebastian; Kalinak, Peter; Kalliokoski, Tuomo Esa Aukusti; Kalweit, Alexander Philipp; Kang, Ju Hwan; Kaplin, Vladimir; Kar, Somnath; Karasu Uysal, Ayben; Karavichev, Oleg; Karavicheva, Tatiana; Karpechev, Evgeny; Kazantsev, Andrey; Kebschull, Udo Wolfgang; Keidel, Ralf; Ketzer, Bernhard Franz; Khan, Kamal Hussain; Khan, Mohisin Mohammed; Khan, Palash; Khan, Shuaib Ahmad; Khanzadeev, Alexei; Kharlov, Yury; Kileng, Bjarte; Kim, Minwoo; Kim, Se Yong; Kim, Beomkyu; Kim, Taesoo; Kim, Dong Jo; Kim, Do Won; Kim, Jonghyun; Kim, Jin Sook; Kim, Mimae; Kirsch, Stefan; Kisel, Ivan; Kiselev, Sergey; Kisiel, Adam Ryszard; Klay, Jennifer Lynn; Klein, Jochen; Klein-Bosing, Christian; Kliemant, Michael; Kluge, Alexander; Knichel, Michael Linus; Knospe, Anders Garritt; Kohler, Markus; Kollegger, Thorsten; Kolojvari, Anatoly; Kompaniets, Mikhail; Kondratiev, Valery; Kondratyeva, Natalia; Konevskih, Artem; Kovalenko, Vladimir; Kowalski, Marek; Kox, Serge; Koyithatta Meethaleveedu, Greeshma; Kral, Jiri; Kralik, Ivan; Kramer, Frederick; Kravcakova, Adela; Krelina, Michal; Kretz, Matthias; Krivda, Marian; Krizek, Filip; Krus, Miroslav; Kryshen, Evgeny; Krzewicki, Mikolaj; Kucera, Vit; Kucheriaev, Yury; Kugathasan, Thanushan; Kuhn, Christian Claude; Kuijer, Paul; Kulakov, Igor; Kumar, Jitendra; Kurashvili, Podist; Kurepin, A; Kurepin, AB; Kuryakin, Alexey; Kushpil, Svetlana; Kushpil, Vasily; Kvaerno, Henning; Kweon, Min Jung; Kwon, Youngil; Ladron de Guevara, Pedro; Lakomov, Igor; Langoy, Rune; La Pointe, Sarah Louise; Lara, Camilo Ernesto; Lardeux, Antoine Xavier; La Rocca, Paola; Lea, Ramona; Lechman, Mateusz; Lee, Sung Chul; Lee, Graham Richard; Legrand, Iosif; Lehnert, Joerg Walter; Lemmon, Roy Crawford; Lenhardt, Matthieu Laurent; Lenti, Vito; Leon, Hermes; Leoncino, Marco; Leon Monzon, Ildefonso; Levai, Peter; Li, Shuang; Lien, Jorgen; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Ljunggren, Hans Martin; Lodato, Davide Francesco; Loenne, Per-Ivar; Loggins, Vera; Loginov, Vitaly; Lohner, Daniel; Loizides, Constantinos; Loo, Kai Krister; Lopez, Xavier Bernard; Lopez Torres, Ernesto; Lovhoiden, Gunnar; Lu, Xianguo; Luettig, Philipp; Lunardon, Marcello; Luo, Jiebin; Luparello, Grazia; Luzzi, Cinzia; Ma, Ke; Ma, Rongrong; Madagodahettige-Don, Dilan Minthaka; Maevskaya, Alla; Mager, Magnus; Mahapatra, Durga Prasad; Maire, Antonin; Malaev, Mikhail; Maldonado Cervantes, Ivonne Alicia; Malinina, Ludmila; Mal'Kevich, Dmitry; Malzacher, Peter; Mamonov, Alexander; Manceau, Loic Henri Antoine; Mangotra, Lalit Kumar; Manko, Vladislav; Manso, Franck; Manzari, Vito; Mao, Yaxian; Marchisone, Massimiliano; Mares, Jiri; Margagliotti, Giacomo Vito; Margotti, Anselmo; Marin, Ana Maria; Markert, Christina; Marquard, Marco; Martashvili, Irakli; Martin, Nicole Alice; Martinengo, Paolo; Martinez, Mario Ivan; Martinez Garcia, Gines; Martynov, Yevgen; Mas, Alexis Jean-Michel; Masciocchi, Silvia; Masera, Massimo; Masoni, Alberto; Massacrier, Laure Marie; Mastroserio, Annalisa; Matyja, Adam Tomasz; Mayer, Christoph; Mazer, Joel; Mazzoni, Alessandra Maria; Meddi, Franco; Menchaca-Rocha, Arturo Alejandro; Mercado Perez, Jorge; Meres, Michal; Miake, Yasuo; Mikhaylov, Konstantin; Milano, Leonardo; Milosevic, Jovan; Mischke, Andre; Mishra, Aditya Nath; Miskowiec, Dariusz; Mitu, Ciprian Mihai; Mizuno, Sanshiro; Mlynarz, Jocelyn; Mohanty, Bedangadas; Molnar, Levente; Montano Zetina, Luis Manuel; Monteno, Marco; Montes, Esther; Moon, Taebong; Morando, Maurizio; Moreira De Godoy, Denise Aparecida; Moretto, Sandra; Morreale, Astrid; Morsch, Andreas; Muccifora, Valeria; Mudnic, Eugen; Muhuri, Sanjib; Mukherjee, Maitreyee; Muller, Hans; Munhoz, Marcelo; Murray, Sean; Musa, Luciano; Musinsky, Jan; Nandi, Basanta Kumar; Nania, Rosario; Nappi, Eugenio; Nattrass, Christine; Nayak, Tapan Kumar; Nazarenko, Sergey; Nedosekin, Alexander; Nicassio, Maria; Niculescu, Mihai; Nielsen, Borge Svane; Niida, Takafumi; Nikolaev, Sergey; Nikolic, Vedran; Nikulin, Sergey; Nikulin, Vladimir; Nilsen, Bjorn Steven; Nilsson, Mads Stormo; Noferini, Francesco; Nomokonov, Petr; Nooren, Gerardus; Nyanin, Alexandre; Nyatha, Anitha; Nygaard, Casper; Nystrand, Joakim Ingemar; Ochirov, Alexander; Oeschler, Helmut Oskar; Oh, Saehanseul; Oh, Sun Kun; Oleniacz, Janusz; Oliveira Da Silva, Antonio Carlos; Oppedisano, Chiara; Ortiz Velasquez, Antonio; Oskarsson, Anders Nils Erik; Ostrowski, Piotr Krystian; Otwinowski, Jacek Tomasz; Oyama, Ken; Ozawa, Kyoichiro; Pachmayer, Yvonne Chiara; Pachr, Milos; Padilla, Fatima; Pagano, Paola; Paic, Guy; Painke, Florian; Pajares, Carlos; Pal, Susanta Kumar; Palaha, Arvinder Singh; Palmeri, Armando; Papikyan, Vardanush; Pappalardo, Giuseppe; Park, Woo Jin; Passfeld, Annika; Patalakha, Dmitri Ivanovich; Paticchio, Vincenzo; Paul, Biswarup; Pavlinov, Alexei; Pawlak, Tomasz Jan; Peitzmann, Thomas; Pereira Da Costa, Hugo Denis Antonio; Pereira De Oliveira Filho, Elienos; Peresunko, Dmitri; Perez Lara, Carlos Eugenio; Perrino, Davide; Peryt, Wiktor Stanislaw; Pesci, Alessandro; Pestov, Yury; Petracek, Vojtech; Petran, Michal; Petris, Mariana; Petrov, Plamen Rumenov; Petrovici, Mihai; Petta, Catia; Piano, Stefano; Pikna, Miroslav; Pillot, Philippe; Pinazza, Ombretta; Pinsky, Lawrence; Pitz, Nora; Piyarathna, Danthasinghe; Planinic, Mirko; Ploskon, Mateusz Andrzej; Pluta, Jan Marian; Pocheptsov, Timur; 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Riegler, Werner; Riggi, Francesco; Rodriguez Cahuantzi, Mario; Rodriguez Manso, Alis; Roed, Ketil; Rogochaya, Elena; Rohr, David; Rohrich, Dieter; Romita, Rosa; Ronchetti, Federico; Rosnet, Philippe; Rossegger, Stefan; Rossi, Andrea; Roy, Pradip Kumar; Roy, Christelle Sophie; Rubio Montero, Antonio Juan; Rui, Rinaldo; Russo, Riccardo; Ryabinkin, Evgeny; Rybicki, Andrzej; Sadovsky, Sergey; Safarik, Karel; Sahoo, Raghunath; Sahu, Pradip Kumar; Saini, Jogender; Sakaguchi, Hiroaki; Sakai, Shingo; Sakata, Dosatsu; Salgado, Carlos Albert; Salzwedel, Jai; Sambyal, Sanjeev Singh; Samsonov, Vladimir; Sanchez Castro, Xitzel; Sandor, Ladislav; Sandoval, Andres; Sano, Masato; Santagati, Gianluca; Santoro, Romualdo; Sarkamo, Juho Jaako; Sarkar, Debojit; Scapparone, Eugenio; Scarlassara, Fernando; Scharenberg, Rolf Paul; Schiaua, Claudiu Cornel; Schicker, Rainer Martin; Schmidt, Hans Rudolf; Schmidt, Christian Joachim; Schuchmann, Simone; Schukraft, Jurgen; Schuster, Tim; Schutz, Yves Roland; Schwarz, Kilian Eberhard; Schweda, Kai Oliver; Scioli, Gilda; Scomparin, Enrico; Scott, Rebecca; Scott, Patrick Aaron; Segato, Gianfranco; Selyuzhenkov, Ilya; Senyukov, Serhiy; Seo, Jeewon; Serci, Sergio; Serradilla, Eulogio; Sevcenco, Adrian; Shabetai, Alexandre; Shabratova, Galina; Shahoyan, Ruben; Sharma, Natasha; Sharma, Satish; Sharma, Rohni; Shigaki, Kenta; Shtejer, Katherin; Sibiriak, Yury; Sicking, Eva; Siddhanta, Sabyasachi; Siemiarczuk, Teodor; Silvermyr, David Olle Rickard; Silvestre, Catherine; Simatovic, Goran; Simonetti, Giuseppe; Singaraju, Rama Narayana; Singh, Ranbir; Singha, Subhash; Singhal, Vikas; Sinha, Bikash; Sinha, Tinku; Sitar, Branislav; Sitta, Mario; Skaali, Bernhard; Skjerdal, Kyrre; Smakal, Radek; Smirnov, Nikolai; Snellings, Raimond; Sogaard, Carsten; Soltz, Ron Ariel; Song, Myunggeun; Song, Jihye; Soos, Csaba; Soramel, Francesca; Sputowska, Iwona; Spyropoulou-Stassinaki, Martha; Srivastava, Brijesh Kumar; Stachel, Johanna; Stan, Ionel; Stefanek, Grzegorz; Steinpreis, Matthew; Stenlund, Evert Anders; Steyn, Gideon Francois; Stiller, Johannes Hendrik; Stocco, Diego; Stolpovskiy, Mikhail; Strmen, Peter; Suaide, Alexandre Alarcon do Passo; Subieta Vasquez, Martin Alfonso; Sugitate, Toru; Suire, Christophe Pierre; Sultanov, Rishat; Sumbera, Michal; Susa, Tatjana; Symons, Timothy; Szanto de Toledo, Alejandro; Szarka, Imrich; Szczepankiewicz, Adam; Szymanski, Maciej; Takahashi, Jun; Tangaro, Marco-Antonio; Tapia Takaki, Daniel Jesus; Tarantola Peloni, Attilio; Tarazona Martinez, Alfonso; Tauro, Arturo; Tejeda Munoz, Guillermo; Telesca, Adriana; Ter-Minasyan, Astkhik; Terrevoli, Cristina; Thader, Jochen Mathias; Thomas, Deepa; Tieulent, Raphael Noel; Timmins, Anthony; Tlusty, David; Toia, Alberica; Torii, Hisayuki; Toscano, Luca; Trubnikov, Victor; Truesdale, David Christopher; Trzaska, Wladyslaw Henryk; Tsuji, Tomoya; Tumkin, Alexandr; Turrisi, Rosario; Tveter, Trine Spedstad; Ulery, Jason Glyndwr; Ullaland, Kjetil; Ulrich, Jochen; Uras, Antonio; Urciuoli, Guido Marie; Usai, Gianluca; Vajzer, Michal; Vala, Martin; Valencia Palomo, Lizardo; Vande Vyvre, Pierre; Van Hoorne, Jacobus Willem; van Leeuwen, Marco; Vannucci, Luigi; Vargas, Aurora Diozcora; Varma, Raghava; Vasileiou, Maria; Vasiliev, Andrey; Vechernin, Vladimir; Veldhoen, Misha; Venaruzzo, Massimo; Vercellin, Ermanno; Vergara, Sergio; Vernet, Renaud; Verweij, Marta; Vickovic, Linda; Viesti, Giuseppe; Viinikainen, Jussi; Vilakazi, Zabulon; Villalobos Baillie, Orlando; Vinogradov, Yury; Vinogradov, Leonid; Vinogradov, Alexander; Virgili, Tiziano; Viyogi, Yogendra; Vodopianov, Alexander; Volkl, Martin Andreas; Voloshin, Sergey; Voloshin, Kirill; Volpe, Giacomo; von Haller, Barthelemy; Vorobyev, Ivan; Vranic, Danilo; Vrlakova, Janka; Vulpescu, Bogdan; Vyushin, Alexey; Wagner, Boris; Wagner, Vladimir; Wan, Renzhuo; Wang, Yaping; Wang, Mengliang; Wang, Yifei; Watanabe, Kengo; Weber, Michael; Wessels, Johannes; Westerhoff, Uwe; Wiechula, Jens; Wikne, Jon; Wilde, Martin Rudolf; Wilk, Grzegorz Andrzej; Williams, Crispin; Windelband, Bernd Stefan; Xaplanteris Karampatsos, Leonidas; Yaldo, Chris G; Yamaguchi, Yorito; Yang, Shiming; Yang, Ping; Yang, Hongyan; Yasnopolsky, Stanislav; Yi, JunGyu; Yin, Zhongbao; Yoo, In-Kwon; Yoon, Jongik; Yu, Weilin; Yuan, Xianbao; Yushmanov, Igor; Zaccolo, Valentina; Zach, Cenek; Zampolli, Chiara; Zaporozhets, Sergey; Zarochentsev, Andrey; Zavada, Petr; Zaviyalov, Nikolai; Zbroszczyk, Hanna Paulina; Zelnicek, Pierre; Zgura, Sorin Ion; Zhalov, Mikhail; Zhang, Haitao; Zhang, Xiaoming; Zhang, Yonghong; Zhou, Daicui; Zhou, Fengchu; Zhou, You; Zhu, Hongsheng; Zhu, Jianlin; Zhu, Xiangrong; Zhu, Jianhui; Zichichi, Antonino; Zimmermann, Alice; Zinovjev, Gennady; Zoccarato, Yannick Denis; Zynovyev, Mykhaylo; Zyzak, Maksym

    2013-11-04

    We present the first wide-range measurement of the charged-particle pseudorapidity density distribution, for different centralities (the 0-5%, 5-10%, 10-20%, and 20-30% most central events) in Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV at the LHC. The measurement is performed using the full coverage of the ALICE detectors, -5.0 < $\\eta$ < 5.5, and employing a special analysis technique based on collisions arising from LHC ' satellite' bunches. We present the pseudorapidity density as a function of the number of participating nucleons as well as an extrapolation to the total number of produced charged particles ($N_{ch}$ = 17165 +/- 772 for the 0-5% most central collisions). From the measured d$N_{ch}$/d$\\eta$ distribution we derive the rapidity density distribution, d$N_{ch}$/dy, under simple assumptions. The rapidity density distribution is found to be significantly wider than the predictions of the Landau model, which reproduce data well at RHIC energies. We assess the validity of longitudinal sca...

  18. Effects of emission layer doping on the spatial distribution of charge and host recombination rate density in organic light emitting devices: A numerical study

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yanli; Zhou, Maoqing; Zheng, Tingcai; Yao, Bo [Institute of Microelectronics, School of Physical Science and Technology, Lanzhou University, Lanzhou 730000 (China); Peng, Yingquan, E-mail: yqpeng@lzu.edu.cn [Institute of Microelectronics, School of Physical Science and Technology, Lanzhou University, Lanzhou 730000 (China); Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China)

    2013-12-28

    Based on drift-diffusion theory, a numerical model of the doping of a single energy level trap in the emission layer of an organic light emitting device (OLED) was developed, and the effects of doping of this single energy level trap on the distribution of the charge density, the recombination rate density, and the electric field in single- and double-layer OLEDs were studied numerically. The results show that by doping the n-type (p-type) emission layer with single energy electron (hole) traps, the distribution of the recombination rate density can be tuned and shifted, which is useful for improvement of the device performance by reduced electrode quenching or for realization of desirable special functions, e.g., emission spectrum tuning in multiple dye-doped white OLEDs.

  19. Technical Note: Stored grain volume measurement using a low density point cloud

    Science.gov (United States)

    The mass of stored grain is often determined from volume measurements by crop insurers, government auditors, and stored grain managers conducting inventories. Recent increases in bin size have accentuated the difficulty of accounting for irregularities and variations in surface conditions in calcula...

  20. Investigation of charges carrier density in phosphorus and boron doped SiN{sub x}:H layers for crystalline silicon solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Paviet-Salomon, B., E-mail: bertrand.paviet-salomon@epfl.ch [Commissariat à l’Énergie Atomique (CEA), Laboratoire d’Innovation pour les Technologies des Énergies Nouvelles et les nanomatériaux (LITEN), Institut National de l’Énergie Solaire - INES, 50 avenue du Lac Léman, 73377 Le Bourget du Lac (France); Gall, S. [Commissariat à l’Énergie Atomique (CEA), Laboratoire d’Innovation pour les Technologies des Énergies Nouvelles et les nanomatériaux (LITEN), Institut National de l’Énergie Solaire - INES, 50 avenue du Lac Léman, 73377 Le Bourget du Lac (France); Slaoui, A. [Institut de l’Électronique du Solide et des Systèmes (InESS), Unité Mixte de Recherche 7163 Centre National de la Recherche Scientifique-Université de Strasbourg (UMR 7163 CNRS-UDS), 23 rue du Loess, BP 20 CR, 67037 Strasbourg (France)

    2013-05-15

    Highlights: ► We investigate the properties of phosphorus and boron-doped silicon nitride films. ► Phosphorus-doped layers yield higher lifetimes than undoped ones. ► The fixed charges density decreases when increasing the films phosphorus content. ► Boron-doped films feature very low lifetimes. ► These doped layers are of particular interest for crystalline silicon solar cells. -- Abstract: Dielectric layers are of major importance in crystalline silicon solar cells processing, especially as anti-reflection coatings and for surface passivation purposes. In this paper we investigate the fixed charge densities (Q{sub fix}) and the effective lifetimes (τ{sub eff}) of phosphorus (P) and boron (B) doped silicon nitride layers deposited by plasma-enhanced chemical vapour deposition. P-doped layers exhibit a higher τ{sub eff} than standard undoped layers. In contrast, B-doped layers exhibit lower τ{sub eff}. A strong Q{sub fix} decrease is to be seen when increasing the P content within the film. Based on numerical simulations we also demonstrate that the passivation obtained with P- and B-doped layers are limited by the interface states rather than by the fixed charges.

  1. Effects of initial-fixed charge density on pH-sensitive hydrogels subjected to coupled pH and electric field stimuli: a meshless analysis.

    Science.gov (United States)

    Ng, T Y; Li, Hua; Yew, Y K; Lam, K Y

    2007-04-01

    In this paper, we study the effects of initial fixed-charge density on the response behavior of pH-sensitive hydrogels subjected to coupled stimuli, namely, solution pH and externally applied electric field. This is the first instance in which a coupled stimuli numerical analysis has been carried out for these polymer gels, which are used as active sensing/actuating elements in advanced biomicroelectromechanical systems devices. In this work, a chemo-electro-mechanical formulation, termed the multi-effect-coupling pH-stimulus (MECpH) model, is first presented. This mathematical model takes into account the ionic species diffusion, electric potential coupling, and large mechanical deformation. In addition, a correlation between the diffusive hydrogen ions and fixed-charge groups on the hydrogel polymeric chains is established based on the Langmuir absorption isotherm, and incorporated accordingly into the MECpH model. To solve the resulting highly nonlinear and highly coupled partial differential equations of this mathematical model, the Hermite-Cloud method, a novel true meshless technique, is employed. To demonstrate the accuracy and robustness the MECpH model, computed numerical results are compared with experimental data available from literature. Following this validation, several numerical studies are carried out to investigate the effects of initial fixed-charge density on the volumetric variations of these pH-stimulus-responsive hydrogels when immersed in buffered solutions.

  2. Relationship between hole density and charge-ordering wave vector in Sr14-xCaxCu24O41

    NARCIS (Netherlands)

    Rusydi, A.; Berciu, M.; Abbamonte, P.; Smadici, S.; Eisaki, H.; Fujimaki, Y.; Uchida, S.; Ruebhausen, M.; Sawatzky, G. A.

    The distribution of holes in Sr14-xCaxCu24O41 is revisited with semiempirical reanalysis of the x-ray absorption data and exact diagonalization cluster calculations. Another interpretation of the XAS data leads to much larger ladder hole densities than previously suggested. These new hole densities

  3. Effect of Doping Density on the Charge Rearrangement and Interface Dipole at the Molecule-Silicon Interface

    NARCIS (Netherlands)

    Yaffe, O.; Pujari, S.P.; Sinai, O.; Vilan, A.; Zuilhof, H.; Kahn, A.; Kronik, L.; Cohen, H.; Cahen, D.

    2013-01-01

    The interface level alignment of alkyl and alkenyl monolayers, covalently bound to oxide-free Si substrates of various doping levels, is studied using X-ray photoelectron spectroscopy. Using shifts in the C 1s and Si 2p photoelectron peaks as a sensitive probe, we find that charge distribution

  4. Classical charged fluids at equilibrium near an interface: Exact ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 64; Issue 5. Classical charged fluids at equilibrium near an interface: Exact analytical density profiles and surface tension. Françoise Cornu. Invited Talks:- Topic 1. Rigorous results and exact solutions; general aspects of statistical physics; thermodynamics Volume 64 ...

  5. Challenging Adiabatic Time-dependent Density Functional Theory with a Hubbard Dimer: The Case of Time-Resolved Long-Range Charge Transfer

    CERN Document Server

    Fuks, Johanna I

    2014-01-01

    We explore an asymmetric two-fermion Hubbard dimer to test the accuracy of the adiabatic approximation of time-dependent density functional theory in modelling time-resolved charge transfer. We show that the model shares essential features of a ground state long-range molecule in real-space, and by applying a resonant field we show that the model also reproduces essential traits of the CT dynamics. The simplicity of the model allows us to propagate with an "adiabatically-exact" approximation, i.e. one that uses the exact ground-state exchange-correlation functional, and compare with the exact propagation. This allows us to study the impact of the time-dependent charge-transfer step feature in the exact correlation potential of real molecules on the resulting dynamics. Tuning the parameters of the dimer allows a study both of charge-transfer between open-shell fragments and between closed-shell fragments. We find that the adiabatically-exact functional is unable to properly transfer charge, even in situations ...

  6. Effect of charge density of polysaccharides on self-assembled intragastric gelation of whey protein/polysaccharide under simulated gastric conditions.

    Science.gov (United States)

    Zhang, Sha; Zhang, Zhong; Vardhanabhuti, Bongkosh

    2014-08-01

    This study focuses on the behavior of mixed protein and polysaccharides with different charge densities under simulated gastric conditions. Three types of polysaccharides, namely, guar gum, xanthan gum and carrageenan (neutral, medium negatively, and highly negatively charged, respectively) were selected for heating together with whey protein isolate (WPI) at a biopolymer ratio ranging from 0.01 to 0.1. Upon mixing with simulated gastric fluid (SGF), all WPI-guar gum samples remained soluble, whereas WPI-xanthan gum and WPI-carrageenan at biopolymer ratio higher than 0.01 led to self-assembled intragastric gelation immediately after mixing with SGF. The mechanism behind the intragastric gelation is believed to be the cross-linking between oppositely charged protein and polysaccharides when pH was reduced to below the pI of the protein. Higher biopolymer ratio led to a higher degree of intermolecular interaction, which tends to form stronger gel. More negatively charged carrageenan also formed a stronger gel than xanthan gum. SDS-PAGE results show that the digestibility of protein was not affected by the presence of guar gum as well as xanthan gum and carrageenan at biopolymer ratio lower than 0.02. However, intragastric gel formed by WPI-xanthan gum and WPI-carrageenan at biopolymer ratio higher than 0.02 significantly slows down the digestion rate of protein, which could potentially be used to delay gastric emptying and promote satiety.

  7. Changes in volume-corrected whole-lung density in smokers and former smokers during the ITALUNG screening trial.

    Science.gov (United States)

    Mascalchi, Mario; Sverzellati, Nicola; Falchini, Massimo; Favilli, Giuditta; Lombardo, Simone; Macconi, Letizia; Paci, Eugenio; Pegna, Andrea Lopes; Falaschi, Fabio; Zompatori, Maurizio; Diciotti, Stefano

    2012-07-01

    To evaluate with a volume-corrected whole-lung approach changes in lung density over 2 years consistent with progression of pulmonary emphysema in smokers and former smokers enrolled in the ITALUNG trial of lung cancer screening using low-dose computed tomography (LDCT). A total of 103 subjects (mean age 63±4 y with a pack-year history of at least 20) underwent 2 whole-lung LDCT examinations 2 years apart. Visual assessment was made independently by 2 experienced observers on the initial LDCT examination with a 0 to 4 grading system for each of 6 regions (right and left upper, mid, and lower lung). The whole-lung 15th percentile of attenuation coefficient and relative area (RA) at -910 HU, both corrected to the individual lung volume (Perc15v and RA910v), were measured on the 2 LDCT examinations. The intrasubject variability of Perc15v and RA910v was previously determined in 32 other subjects of the trial examined using the same scanner and technique twice over a 3-month interval for suspicious nodules. The 2 operators agreed on the presence of mild to severe emphysema (visual score ≥1 in at least 1 region) at initial LDCT examination in 24 (23%) of the 103 subjects. Fifteen subjects (15%) showed a Perc15v change between the 2 examinations exceeding the lower 95% limit of agreement, indicating progression of emphysema with a mean difference in lung density of -14.7%±2.6%. Ten of the 15 were identified as showing emphysema progression by RA910v as well. No association was observed between progression of emphysema and visual evidence of emphysema at initial LDCT examination, smoking status, or pack-years at baseline, or intervening changes in smoking habits. Once variations in inspiratory lung volumes are taken into account, changes in lung density over 2 years consistent with progression of pulmonary emphysema in elderly smokers and former smokers are uncommon.

  8. Theoretical Model for Volume Fraction of UC, 235U Enrichment, and Effective Density of Final U 10Mo Alloy

    Energy Technology Data Exchange (ETDEWEB)

    Devaraj, Arun [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Prabhakaran, Ramprashad [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Joshi, Vineet V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Hu, Shenyang Y. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); McGarrah, Eric J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Lavender, Curt A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)

    2016-04-12

    The purpose of this document is to provide a theoretical framework for (1) estimating uranium carbide (UC) volume fraction in a final alloy of uranium with 10 weight percent molybdenum (U-10Mo) as a function of final alloy carbon concentration, and (2) estimating effective 235U enrichment in the U-10Mo matrix after accounting for loss of 235U in forming UC. This report will also serve as a theoretical baseline for effective density of as-cast low-enriched U-10Mo alloy. Therefore, this report will serve as the baseline for quality control of final alloy carbon content

  9. Influence of Zinc on the Surface Tension, Density and Molar Volume of (Ag-Sneut +Zn Liquid Alloys

    Directory of Open Access Journals (Sweden)

    Gąsior W.

    2016-03-01

    Full Text Available The dilatometric and maximum bubble pressure methods were applied for the measurements of the density and surface tension of liquid (Ag-Sneut +Zn lead-free solders. The experiments were carried out in the temperature range from 515 to 1223 K for the alloys of the zinc concentration equaling 0.01, 0.02, 0.04, 0.05, 0.1 and 0.2 of the mole fraction. It was found that the temperature dependence of both the density and the surface tension could be thought as linear, so they were interpreted by straight line equations. The experimental data of the molar volume of the investigated alloys were described by the polynomial dependent on the composition and temperature.

  10. Measurement of the forward charged particle pseudorapidity density in pp collisions at √s = 8 TeV using a displaced interaction point

    CERN Document Server

    Antchev, G.; Atanassov, I.; Avati, V.; Baechler, J.; Berardi, V.; Berretti, M.; Bossini, E.; Bottigli, U.; Bozzo, M.; Brücken, E.; Buzzo, A.; Cafagna, F.S.; Catanesi, M.G.; Covault, C.; Csanád, M.; Csörgő, T.; Deile, M.; Doubek, M.; Eggert, K.; Eremin, V.; Ferro, F.; Fiergolski, A.; Garcia, F.; Georgiev, V.; Giani, S.; Grzanka, L.; Hammerbauer, J.; Heino, J.; Hilden, T.; Karev, A.; Kašpar, J.; Kopal, J.; Kundrát, V.; Lami, S.; Latino, G.; Lauhakangas, R.; Leszko, T.; Lippmaa, E.; Lippmaa, J.; Lokajíček, M.V.; Losurdo, L.; Lo Vetere, M.; Lucas Rodriguez, F.; Macrí, M.; Mäki, T.; Mercadante, A.; Minafra, N.; Minutoli, S.; Nemes, F.; Niewiadomski, H.; Oliveri, E.; Oljemark, F.; Orava, R.; Oriunno, M.; Österberg, K.; Palazzi, P.; Peroutka, Z.; Procházka, J.; Quinto, M.; Radermacher, E.; Radicioni, E.; Ravotti, F.; Robutti, E.; Ropelewski, L.; Ruggiero, G.; Saarikko, H.; Scribano, A.; Smajek, J.; Snoeys, W.; Sodzawiczny, T.; Sziklai, J.; Taylor, C.; Turini, N.; Vacek, V.; Welti, J.; Whitmore, J.; Wyszkowski, P.; Zielinski, K.

    2015-01-01

    The the pseudorapidity density of charged particles dN$_{ch}$/d$\\eta$ is measured by the TOTEM experiment in pp collisions at √s = 8 TeV within the range 3.9 0 MeV/c, produced in inelastic interactions with at least one charged particle in −7 < $\\eta$ < −6 or 3.7< $\\eta$ < 4.8. The dN$_{ch}$/d$\\eta$ has been found to decrease with |$\\eta$|, from 5.11 ± 0.73 at $\\eta$ =3.95 to 1.81 ± 0.56 at $\\eta$ = −6.925. Several MC generators are compared to the data and are found to be within the systematic uncertainty of the measurement.

  11. Terahertz spectra revealing the collective excitation mode in charge-density-wave single crystal LuFe{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiumei; Jin, Zuanming; Lin, Xian; Ma, Guohong [Department of Physics, Shanghai University (China); Cheng, Zhenxiang [Institute for Superconducting and Electronic Materials, University of Wollongong, NSW (Australia); Balakrishnan, Geetha [Department of Physics, University of Warwick, Coventry (United Kingdom)

    2017-09-15

    A low-energy collective excitation mode in charge-ordered multiferroic LuFe{sub 2}O{sub 4} is reported via terahertz time-domain spectroscopy. Upon cooling from 300 to 40 K, the central resonance frequency showed a pronounced hardening from 0.85 to 1.15 THz. In analogy to the well-known low-energy optical properties of LuFe{sub 2}O{sub 4}, this emerging resonance was attributed to the charge-density-wave (CDW) collective excitations. By using the Drude-Lorentz model fitting, the CDW collective mode becomes increasingly damped with the increasing temperature. Furthermore, the kinks of the CDW collective mode at the magnetic transition temperature are analyzed, which indicate the coupling of spin order with electric polarization. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Pseudorapidity density of charged particles and its centrality dependence in Pb–Pb collisions at √(s{sub NN})=2.76TeV

    Energy Technology Data Exchange (ETDEWEB)

    Guilbaud, Maxime

    2013-05-02

    We present the measurement of the charged-particle pseudorapidity (η) density distribution, (dN{sub ch})/(dη) , for a number of centrality bins in Pb–Pb collisions at √(s{sub NN})=2.76TeV over a wide pseudorapidity range. Using the innermost pixel layers of the ALICE tracking system and the ALICE forward detectors (VZERO and FMD), we cover the pseudorapidity range: −5<η<5.5. The analysis is performed using a dedicated technique utilizing the collisions with LHC ‘satellite’ bunches. These collisions have displaced vertices in the range −187.5charged particles, N{sub ch}, in Pb–Pb collisions at the LHC energy.

  13. Effect of explant density and medium culture volumes on cassava micropropagation in Temporal Immersion System

    OpenAIRE

    Milagros Basail; Victor Medero; Marilyn Martínez; José de la C. Ventura; Jorge López; Magaly García; Manuel Cabrera; Arletys Santos; Aymé Rayas; Carmen Pons; Maricel Bauta; Miguel Álvarez; Jesús García

    2003-01-01

    Due to the need of producing high quality planting material available to cassava growers, it has been necessary to look for alternatives in order to increase the efficiancy of in vitro propagation methods and their automation, such as the use of the Temporal Immersion Systems (RITA®). This work was carried out to increase the multiplication coefficient for cassava mass propagation through out Temporal Immersion Systems. The clone ‘CMC-40’ was used. Different medium volumes per explant, and ma...

  14. The use of CCD area detectors in charge-density research. Application to a mineral compound: the alpha-spodumene LiAl(SiO3)2.

    Science.gov (United States)

    Kuntzinger; Dahaoui; Ghermani; Lecomte; Howard

    1999-12-01

    X-ray diffraction data sets collected on both Nonius and Siemens (Bruker) goniometers equipped with charge-coupled device (CCD) area detectors have been tested for the electron-density determination of the aluminosilicate mineral compound alpha-spodumene LiAl(SiO(3))(2), aluminium lithium silicon oxide. Data collection strategies, reflection intensity peak integration methods and experimental error estimates are different for the two instruments. Therefore, the consistency and quality of the two types of CCD measurements have been carefully compared to each other and to high-resolution data collected on a conventional CAD-4 point-detector diffractometer. Multipole density model refinements were carried out against the CCD data and the statistical factors analysed in terms of experimental weighting schemes based on the standard uncertainties of the diffraction intensities derived by the Nonius and Siemens software programs. Consistent experimental electron-density features in the Si-O-Si and Si-O-Al bridges were found from both CCD data sets. The net atomic charges obtained from the kappa refinements against each CCD data set are also in good agreement and quite comparable with the results of the conventional CAD-4 experiment.

  15. The StreamCat Dataset: Accumulated Attributes for NHDPlusV2 (Version 2.1) Catchments for the Conterminous United States: Dam Density and Storage Volume

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset represents the dam density and storage volumes within individual, local NHDPlusV2 catchments and upstream, contributing watersheds based on National...

  16. The StreamCat Dataset: Accumulated Attributes for NHDPlusV2 Catchments (Version 2.1) for the Conterminous United States: Dam Density and Storage Volume

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset represents the dam density and storage volumes within individual, local NHDPlusV2 catchments and upstream, contributing watersheds based on National...

  17. Determining the effective density of airborne nanoparticles using multiple charging correction in a tandem DMA/ELPI setup

    OpenAIRE

    Bau, Sébastien; Bémer, Denis; Grippari, Florence; Appert-Collin, Jean-Christophe; Thomas, Dominique

    2014-01-01

    International audience; Increasing numbers of workers are exposed to airborne nanoparticles, the health effects of which remain difficult to evaluate. Effective density is considered to be a key characteristic of airborne nanoparticles due to its role in particle deposition in the human respiratory tract and in the conversion of number distributions to mass distributions. Because effective density cannot be measured directly, in this study the electrical mobility and aerodynamic equivalent di...

  18. DNA Condensation by Partially Acetylated Poly(amido amine Dendrimers: Effects of Dendrimer Charge Density on Complex Formation

    Directory of Open Access Journals (Sweden)

    Ronald G. Larson

    2013-09-01

    Full Text Available The ability of poly(amido amine (or PAMAM dendrimers to condense semiflexible dsDNA and penetrate cell membranes gives them great potential in gene therapy and drug delivery but their high positive surface charge makes them cytotoxic. Here, we describe the effects of partial neutralization by acetylation on DNA condensation using light scattering, circular dichroism, and single molecule imaging of dendrimer-DNA complexes combed onto surfaces and tethered to those surfaces under flow. We find that DNA can be condensed by generation-five (G5 dendrimers even when the surface charges are more than 65% neutralized, but that such dendrimers bind negligibly when an end-tethered DNA is stretched in flow. We also find that when fully charged dendrimers are introduced by flow to end-tethered DNA, all DNA molecules become equally highly coated with dendrimers at a rate that becomes very fast at high dendrimer concentration, and that dendrimers remain bound during subsequent flow of dendrimer-free buffer. These results suggest that the presence of dendrimer-free DNA coexisting with dendrimer-bound DNA after bulk mixing of the two in solution may result from diffusion-limited irreversible dendrimer-DNA binding, rather than, or in addition to, the previously proposed cooperative binding mechanism of dendrimers to DNA.

  19. Creep, flow, and phase slippage regimes: an extensive view of the sliding charge-density wave revealed by coherent X-ray diffraction.

    Science.gov (United States)

    Pinsolle, E; Kirova, N; Jacques, V L R; Sinchenko, A A; Le Bolloc'h, D

    2012-12-21

    Coherent x-ray diffraction experiments have been used to probe the dynamics of the charge density wave (CDW) in the quasi-1D system NbSe(3). The 2k(F) satellite reflection associated with the CDW has been measured with respect to external dc currents, below and above the depinning current. These measurements illustrate for the first time the extensive behavior of a moving electronic crystal: the creep regime, with nucleation of CDW dislocations, the flow regime, with motional ordering, along with phase slippage and the role of strong pinning due to an extrinsic defect.

  20. Changes in thigh muscle volume predict bone mineral density response to lifestyle therapy in frail, obese older adults.

    Science.gov (United States)

    Armamento-Villareal, R; Aguirre, L; Napoli, N; Shah, K; Hilton, T; Sinacore, D R; Qualls, C; Villareal, D T

    2014-02-01

    We studied the relationships among strength, muscle mass, and bone mineral density (BMD) with lifestyle change. Lifestyle therapy consisted of exercise, diet, and diet plus exercise. Diet was by caloric restriction to induce and maintain a weight loss of 10 % from baseline body weight. Exercise attenuated weight loss-induced muscle and bone losses. Exercise improved strength despite muscle loss in patients on diet and exercise. Changes in strength did not correlate with changes in BMD. However, changes in thigh muscle volume correlated with, and predicted changes in hip BMD. Losses of hip BMD and lean body mass are major complications of lifestyle therapy in frail, obese older adults; however, the contribution of mechanical strain loss from muscle loss is poorly defined. We determined the effect of changes in thigh muscle volume and muscle strength on BMD in frail, obese older adults undergoing lifestyle therapy aimed at intentional weight loss with or without exercise. One hundred seven obese older adults were randomized to control, diet, exercise, and diet-exercise groups for 1 year. Thigh muscle volume was measured by magnetic resonance imaging, BMD by DXA, knee strength by dynamometry, total strength by one-repetition maximum (1-RM), and bone markers by immunoassay. Thigh muscle volume decreased in the diet group (-6.2 ± 4.8 %) and increased in the exercise group (2.7 ± 3.1 %), while it was not significantly different from the control in the diet-exercise group. Changes in hip BMD followed similar pattern as those in thigh muscle volume. Knee extension and flexion increased in the exercise group (23 ± 20 %; 25 ± 19 %) and diet-exercise group (20 ± 19 %; 20.6 ± 27 %) but were unchanged in the control and diet groups. Changes in thigh muscle volume correlated with changes in hip BMD (r = 0.55, P = BMD (β = 0.12, P = 0.03) in the multiple regression analyses after accounting for demographic factors and changes in weight and physical activity. There were no

  1. Pseudorapidity density of charged particles in p+Pb collisions at √(s(NN))=5.02 TeV.

    Science.gov (United States)

    Abelev, B; Adam, J; Adamová, D; Adare, A M; Aggarwal, M M; Aglieri Rinella, G; Agnello, M; Agocs, A G; Agostinelli, A; Ahammed, Z; Ahmad, N; Ahmad Masoodi, A; Ahn, S U; Ahn, S A; Ajaz, M; Akindinov, A; Aleksandrov, D; Alessandro, B; Alfaro Molina, R; Alici, A; Alkin, A; Almaráz Aviña, E; Alme, J; Alt, T; Altini, V; Altinpinar, S; Altsybeev, I; Andrei, C; Andronic, A; Anguelov, V; Anielski, J; Anson, C; Antičić, T; Antinori, F; Antonioli, P; Aphecetche, L; Appelshäuser, H; Arbor, N; Arcelli, S; Arend, A; Armesto, N; Arnaldi, R; Aronsson, T; Arsene, I C; Arslandok, M; Asryan, A; Augustinus, A; Averbeck, R; Awes, T C; Aystö, J; Azmi, M D; Bach, M; Badalà, A; Baek, Y W; Bailhache, R; Bala, R; Baldini Ferroli, R; Baldisseri, A; Baltasar Dos Santos Pedrosa, F; Bán, J; Baral, R C; Barbera, R; Barile, F; Barnaföldi, G G; Barnby, L S; Barret, V; Bartke, J; Basile, M; Bastid, N; Basu, S; Bathen, B; Batigne, G; Batyunya, B; Baumann, C; Bearden, I G; Beck, H; Behera, N K; Belikov, I; Bellini, F; Bellwied, R; Belmont-Moreno, E; Bencedi, G; Beole, S; Berceanu, I; Bercuci, A; Berdnikov, Y; Berenyi, D; Bergognon, A A E; Berzano, D; Betev, L; Bhasin, A; Bhati, A K; Bhom, J; Bianchi, L; Bianchi, N; Bielčík, J; Bielčíková, J; Bilandzic, A; Bjelogrlic, S; Blanco, F; Blanco, F; Blau, D; Blume, C; Boccioli, M; Böttger, S; Bogdanov, A; Bøggild, H; Bogolyubsky, M; Boldizsár, L; Bombara, M; Book, J; Borel, H; Borissov, A; Bossú, F; Botje, M; Botta, E; Braidot, E; Braun-Munzinger, P; Bregant, M; Breitner, T; Browning, T A; Broz, M; Brun, R; Bruna, E; Bruno, G E; Budnikov, D; Buesching, H; Bufalino, S; Busch, O; Buthelezi, Z; Caballero Orduna, D; Caffarri, D; Cai, X; Caines, H; Calvo Villar, E; Camerini, P; Canoa Roman, V; Cara Romeo, G; Carena, W; Carena, F; Carlin Filho, N; Carminati, F; Casanova Díaz, A; Castillo Castellanos, J; Castillo Hernandez, J F; Casula, E A R; Catanescu, V; Cavicchioli, C; Ceballos Sanchez, C; Cepila, J; Cerello, P; Chang, B; Chapeland, S; Charvet, J L; Chattopadhyay, S; 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Dönigus, B; Dordic, O; Driga, O; Dubey, A K; Dubla, A; Ducroux, L; Dupieux, P; Dutta Majumdar, M R; Dutta Majumdar, A K; Elia, D; Emschermann, D; Engel, H; Erazmus, B; Erdal, H A; Espagnon, B; Estienne, M; Esumi, S; Evans, D; Eyyubova, G; Fabris, D; Faivre, J; Falchieri, D; Fantoni, A; Fasel, M; Fearick, R; Fehlker, D; Feldkamp, L; Felea, D; Feliciello, A; Fenton-Olsen, B; Feofilov, G; Fernández Téllez, A; Ferretti, A; Festanti, A; Figiel, J; Figueredo, M A S; Filchagin, S; Finogeev, D; Fionda, F M; Fiore, E M; Floris, M; Foertsch, S; Foka, P; Fokin, S; Fragiacomo, E; Francescon, A; Frankenfeld, U; Fuchs, U; Furget, C; Fusco Girard, M; Gaardhøje, J J; Gagliardi, M; Gago, A; Gallio, M; Gangadharan, D R; Ganoti, P; Garabatos, C; Garcia-Solis, E; Garishvili, I; Gerhard, J; Germain, M; Geuna, C; Gheata, A; Gheata, M; Ghidini, B; Ghosh, P; Gianotti, P; Girard, M R; Giubellino, P; Gladysz-Dziadus, E; Glässel, P; Gomez, R; Ferreiro, E G; González-Trueba, L H; González-Zamora, P; Gorbunov, S; 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Jayarathna, P H S Y; Jena, S; Jha, D M; Jimenez Bustamante, R T; Jones, P G; Jung, H; Jusko, A; Kaidalov, A B; Kalcher, S; Kaliňák, P; Kalliokoski, T; Kalweit, A; Kang, J H; Kaplin, V; Karasu Uysal, A; Karavichev, O; Karavicheva, T; Karpechev, E; Kazantsev, A; Kebschull, U; Keidel, R; Khan, K H; Khan, P; Khan, M M; Khan, S A; Khanzadeev, A; Kharlov, Y; Kileng, B; Kim, D W; Kim, T; Kim, B; Kim, J H; Kim, J S; Kim, M; Kim, M; Kim, S; Kim, D J; Kirsch, S; Kisel, I; Kiselev, S; Kisiel, A; Klay, J L; Klein, J; Klein-Bösing, C; Kliemant, M; Kluge, A; Knichel, M L; Knospe, A G; Köhler, M K; Kollegger, T; Kolojvari, A; Kondratiev, V; Kondratyeva, N; Konevskikh, A; Kour, R; Kovalenko, V; Kowalski, M; Kox, S; Koyithatta Meethaleveedu, G; Kral, J; Králik, I; Kramer, F; Kravčáková, A; Krawutschke, T; Krelina, M; Kretz, M; Krivda, M; Krizek, F; Krus, M; Kryshen, E; Krzewicki, M; Kucheriaev, Y; Kugathasan, T; Kuhn, C; Kuijer, P G; Kulakov, I; Kumar, J; Kurashvili, P; Kurepin, A; Kurepin, A B; Kuryakin, A; Kushpil, V; Kushpil, S; Kvaerno, H; Kweon, M J; Kwon, Y; Ladrón de Guevara, P; Lakomov, I; Langoy, R; La Pointe, S L; Lara, C; Lardeux, A; La Rocca, P; Lea, R; Lechman, M; Lee, K S; Lee, S C; Lee, G R; Legrand, I; Lehnert, J; Lenhardt, M; Lenti, V; León, H; Leoncino, M; León Monzón, I; León Vargas, H; Lévai, P; Lien, J; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Ljunggren, H M; Loenne, P I; Loggins, V R; Loginov, V; Lohner, D; Loizides, C; Loo, K K; Lopez, X; López Torres, E; Løvhøiden, G; Lu, X-G; Luettig, P; Lunardon, M; Luo, J; Luparello, G; Luzzi, C; Ma, K; Ma, R; Madagodahettige-Don, D M; Maevskaya, A; Mager, M; Mahapatra, D P; Maire, A; Malaev, M; Maldonado Cervantes, I; Malinina, L; Mal'kevich, D; Malzacher, P; Mamonov, A; Manceau, L; Mangotra, L; Manko, V; Manso, F; Manzari, V; Mao, Y; Marchisone, M; Mareš, J; Margagliotti, G V; Margotti, A; Marín, A; Markert, C; Marquard, M; Martashvili, I; Martin, N A; Martinengo, P; Martínez, M I; Martínez Davalos, A; Martínez García, G; Martynov, Y; Mas, A; Masciocchi, S; Masera, M; Masoni, A; Massacrier, L; Mastroserio, A; Matthews, Z L; Matyja, A; Mayer, C; Mazer, J; Mazzoni, M A; Meddi, F; Menchaca-Rocha, A; Mercado Pérez, J; Meres, M; Miake, Y; Milano, L; Milosevic, J; Mischke, A; Mishra, A N; Miśkowiec, D; Mitu, C; Mizuno, S; Mlynarz, J; Mohanty, B; Molnar, L; Montaño Zetina, L; Monteno, M; Montes, E; Moon, T; Morando, M; Moreira De Godoy, D A; Moretto, S; Morreale, A; Morsch, A; Muccifora, V; Mudnic, E; Muhuri, S; Mukherjee, M; Müller, H; Munhoz, M G; Musa, L; Musso, A; Nandi, B K; Nania, R; Nappi, E; Nattrass, C; Navin, S; Nayak, T K; Nazarenko, S; Nedosekin, A; Nicassio, M; Niculescu, M; Nielsen, B S; Niida, T; Nikolaev, S; Nikolic, V; Nikulin, V; Nikulin, S; Nilsen, B S; Nilsson, M S; Noferini, F; Nomokonov, P; Nooren, G; Novitzky, N; Nyanin, A; Nyatha, A; Nygaard, C; Nystrand, J; Ochirov, A; Oeschler, H; Oh, S K; Oh, S; Oleniacz, J; Oliveira Da Silva, A C; Oppedisano, C; Ortiz Velasquez, A; Oskarsson, A; Ostrowski, P; Otwinowski, J; Oyama, K; Ozawa, K; Pachmayer, Y; Pachr, M; Padilla, F; Pagano, P; Paić, G; Painke, F; Pajares, C; Pal, S K; Palaha, A; Palmeri, A; Papikyan, V; Pappalardo, G S; Park, W J; Passfeld, A; Pastirčák, B; Patalakha, D I; Paticchio, V; Paul, B; Pavlinov, A; Pawlak, T; Peitzmann, T; Pereira Da Costa, H; Pereira De Oliveira Filho, E; Peresunko, D; Pérez Lara, C E; Perini, D; Perrino, D; Peryt, W; Pesci, A; Peskov, V; Pestov, Y; Petráček, V; Petran, M; Petris, M; Petrov, P; Petrovici, M; Petta, C; Piano, S; Piccotti, A; Pikna, M; Pillot, P; Pinazza, O; Pinsky, L; Pitz, N; Piyarathna, D B; Planinic, M; Płoskoń, M; Pluta, J; Pocheptsov, T; Pochybova, S; Podesta-Lerma, P L M; Poghosyan, M G; Polák, K; Polichtchouk, B; Pop, A; Porteboeuf-Houssais, S; Pospíšil, V; Potukuchi, B; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puddu, G; Punin, V; Putiš, M; Putschke, J; Quercigh, E; Qvigstad, H; Rachevski, A; Rademakers, A; Räihä, T S; Rak, J; Rakotozafindrabe, A; Ramello, L; Ramírez Reyes, A; Raniwala, R; Raniwala, S; Räsänen, S S; Rascanu, B T; Rathee, D; Read, K F; Real, J S; Redlich, K; Reed, R J; Rehman, A; Reichelt, P; Reicher, M; Renfordt, R; Reolon, A R; Reshetin, A; Rettig, F; Revol, J-P; Reygers, K; Riccati, L; Ricci, R A; Richert, T; Richter, M; Riedler, P; Riegler, W; Riggi, F; Rodríguez Cahuantzi, M; Rodriguez Manso, A; Røed, K; Rohr, D; Röhrich, D; Romita, R; Ronchetti, F; Rosnet, P; Rossegger, S; Rossi, A; Roy, C; Roy, P; Rubio Montero, A J; Rui, R; Russo, R; Ryabinkin, E; Rybicki, A; Sadovsky, S; Safařík, K; Sahoo, R; Sahu, P K; Saini, J; Sakaguchi, H; Sakai, S; Sakata, D; Salgado, C A; Salzwedel, J; Sambyal, S; Samsonov, V; Sanchez Castro, X; Sándor, L; Sandoval, A; Sano, M; Sano, S; Santagati, G; Santoro, R; Sarkamo, J; Scapparone, E; Scarlassara, F; Scharenberg, R P; Schiaua, C; Schicker, R; Schmidt, C; Schmidt, H R; Schreiner, S; Schuchmann, S; Schukraft, J; Schuster, T; Schutz, Y; Schwarz, K; Schweda, K; Scioli, G; Scomparin, E; Scott, P A; 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Yaldo, C G; Yamaguchi, Y; Yang, S; Yang, H; Yasnopolskiy, S; Yi, J; Yin, Z; Yoo, I-K; Yoon, J; Yu, W; Yuan, X; Yushmanov, I; Zaccolo, V; Zach, C; Zampolli, C; Zaporozhets, S; Zarochentsev, A; Závada, P; Zaviyalov, N; Zbroszczyk, H; Zelnicek, P; Zgura, I S; Zhalov, M; Zhang, H; Zhang, X; Zhou, F; Zhou, D; Zhou, Y; Zhu, J; Zhu, H; Zhu, J; Zhu, X; Zichichi, A; Zimmermann, A; Zinovjev, G; Zoccarato, Y; Zynovyev, M; Zyzak, M

    2013-01-18

    The charged-particle pseudorapidity density measured over four units of pseudorapidity in nonsingle-diffractive p+Pb collisions at a center-of-mass energy per nucleon pair √(s(NN))=5.02 TeV is presented. The average value at midrapidity is measured to be 16.81±0.71 (syst), which corresponds to 2.14±0.17 (syst) per participating nucleon, calculated with the Glauber model. This is 16% lower than in nonsingle-diffractive pp collisions interpolated to the same collision energy and 84% higher than in d+Au collisions at s√(s(NN))=0.2 TeV. The measured pseudorapidity density in p+Pb collisions is compared to model predictions and provides new constraints on the description of particle production in high-energy nuclear collisions.

  2. Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues

    Energy Technology Data Exchange (ETDEWEB)

    Dalpian, Gustavo M.; Liu, Qihang; Stoumpos, Constantinos C.; Douvalis, Alexios P.; Balasubramanian, Mahalingam; Kanatzidis, Mercouri G.; Zunger, Alex

    2017-07-01

    Shifting the Fermi energy in solids by doping, defect formation, or gating generally results in changes in the charge density distribution, which reflect the ability of the bonding pattern in solids to adjust to such external perturbations. In the traditional chemistry textbook, such changes are often described by the formal oxidation states (FOS) whereby a single atom type is presumed to absorb the full burden of the perturbation (change in charge) of the whole compound. In the present paper, we analyze the changes in the position-dependence charge density due to shifts of the Fermi energy on a general physical basis, comparing with the view of the FOS picture. We use the halide perovskites CsSnX3 (X = F, Cl, Br, I) as examples for studying the general principle. When the solar absorber CsSnI3 (termed 113) loses 50% of its Sn atoms, thereby forming the ordered vacancy compound Cs2SnI6 (termed 216), the Sn is said in the FOS picture to change from Sn(II) to Sn(IV). To understand the electronic properties of these two groups we studied the 113 and 216 compound pairs CsSnCl3 and Cs2SnCl6, CsSnBr3 and Cs2SnBr6, and CsSnI3 and Cs2SnI6, complementing them by CsSnF3 and Cs2SnF6 in the hypothetical cubic structure for completing the chemical trends. These materials were also synthesized by chemical routes and characterized by x-ray diffraction, 119Sn-Mössbauer spectroscopy, and K-edge x-ray absorption spectroscopy. We find that indeed in going from 113 to 216 (equivalent to the introduction of two holes per unit) there is a decrease in the s charge on Sn, in agreement with the FOS picture. However, at the same time, we observe an increase of the p charge via downshift of the otherwise unoccupied p level, an effect that tends to replenish much of the lost s charge. At the end, the change in the charge on the Sn site as a result of adding two holes to the unit cell is rather small. This effect is theoretically explained as a “self-regulating response” [Raebiger, Lany

  3. Optical quantification of cellular mass, volume and density of circulating tumor cells identified in an ovarian cancer patient

    Directory of Open Access Journals (Sweden)

    Kevin Gregory Phillips

    2012-07-01

    Full Text Available Clinical studies have demonstrated that circulating tumor cells (CTCs are present in the blood of cancer patients with known metastatic disease across the major types of epithelial malignancies. Recent studies have shown that the concentration of CTCs in the blood is prognostic of overall survival in breast, prostate, colorectal and non-small cell lung cancer. This study characterizes CTCs identified using the high-definition (HD-CTC assay in an ovarian cancer patient with stage IIIC disease. We characterized the physical properties of 31 HD-CTCs and 50 normal leukocytes from a single blood draw taken just prior to the initial debulking surgery. We utilized a non-interferometric quantitative phase microscopy technique using brightfield imagery to measure cellular dry mass. Next we used a quantitative differential interference contrast microscopy technique to measure cellular volume. These techniques were combined to determine cellular dry mass density. We found that HD-CTCs were more massive than leukocytes: 33.6 ± 3.2 pg (HD-CTC compared to 18.7 ± 0.6 pg (leukocytes, p < 0.001; had greater volumes: 518.3 ± 24.5 fL (HD-CTC compared to 230.9 ± 78.5 fL (leukocyte, p<0.001; and possessed a decreased dry mass density with respect to leukocytes: 0.065 ± 0.006 pg/fL (HD-CTC compared to 0.085 ± 0.004 pg/fL (leukocyte, p < 0.006. Quantification of HD-CTC dry mass content and volume provide key insights into the fluid dynamics of cancer, and may provide the rationale for strategies to isolate, monitor or target CTCs based on their physical properties. The parameters reported here can also be incorporated into blood cell flow models to better understand metastasis.

  4. RELATIONSHIP BETWEEN TRAINING VOLUME AND BONE MINERAL DENSITY CHANGES IN ELDERLY WOMEN

    Directory of Open Access Journals (Sweden)

    Juan José Rábade Espinosa

    Full Text Available ABSTRACT Introduction: Several studies have analyzed the relationship between physical activity and bone density. However, the prescription of exercise is not entirely clear as to the type, quantity and intensity. Objective: The objective of this study was to determine if there is a relationship between the amount of exercise and changes in bone mineral density. Methods: Fifty-two women, members of the Municipal Program of Physical Activity for Seniors, voluntarily underwent two ultrasonographies of the calcaneus within a 6-month interval. During this period, all physical activity was recorded. Afterwards, a lineal correlation study was carried out between the amount of exercise and bone changes, expressed as T-Score variation, first in total number of participants and then in groups. Considering the average body weight obtained for all women, two groups were created ("light" 69 kg. Later, women who had participated in less than 72% of the targeted program were excluded from both groups, and the differences between the groups "light and trained" and "heavy and trained" were analyzed. To do so, the nonparametric Mann-Whitney U test was used. Results: A significant relationship of r= -0.59 was found between the total amount of exercise and the T-Score variation in the group of women above 69 kg. Significant differences were found between the "light and trained" group and the "heavy and trained" group with respect to the variation of T-Score. Conclusion: The effect of exercise on bone mineral density is determined, somehow, by body weight. This interaction is due, possibly, to mechanical demands difference.

  5. Injection of auxiliary electrons for increasing the plasma density in highly charged and high intensity ion sources.

    Science.gov (United States)

    Odorici, F; Malferrari, L; Montanari, A; Rizzoli, R; Mascali, D; Castro, G; Celona, L; Gammino, S; Neri, L

    2016-02-01

    Different electron guns based on cold- or hot-cathode technologies have been developed since 2009 at INFN for operating within ECR plasma chambers as sources of auxiliary electrons, with the aim of boosting the source performances by means of a higher plasma lifetime and density. Their application to microwave discharge ion sources, where plasma is not confined, has required an improvement of the gun design, in order to "screen" the cathode from the plasma particles. Experimental tests carried out on a plasma reactor show a boost of the plasma density, ranging from 10% to 90% when the electron guns are used, as explained by plasma diffusion models.

  6. Water volume and sediment volume and density in Lake Linganore between Boyers Mill Road Bridge and Bens Branch, Frederick County, Maryland, 2012

    Science.gov (United States)

    Sekellick, Andrew J.; Banks, William S.L.; Myers, Michael K.

    2013-01-01

    To assist in understanding sediment loadings and the management of water resources, a bathymetric survey was conducted in the part of Lake Linganore between Boyers Mill Road Bridge and Bens Branch in Frederick County, Maryland. The bathymetric survey was performed in January 2012 by the U.S. Geological Survey, in cooperation with the City of Frederick and Frederick County. A separate, but related, field effort to collect 18 sediment cores was conducted in March and April 2012. Depth and location data from the bathymetric survey and location data for the sediment cores were compiled and edited by using geographic information system (GIS) software. A three-dimensional triangulated irregular network (TIN) model of the lake bottom was created to calculate the volume of stored water in the reservoir. Large-scale topographic maps of the valley prior to inundation in 1972 were provided by the Frederick County Division of Utilities and Solid Waste Management and digitized for comparison with current (2012) conditions in order to calculate sediment volume. Cartographic representations of both water depth and sediment accumulation were produced, along with an accuracy assessment for the resulting bathymetric model. Vertical accuracies at the 95-percent confidence level for the collected data, the bathymetric surface model, and the bathymetric contour map were calculated to be 0.64 feet (ft), 1.77 ft, and 2.30 ft, respectively. A dry bulk sediment density was calculated for each of the 18 sediment cores collected during March and April 2012, and used to determine accumulated sediment mass. Water-storage capacity in the study area is 110 acre-feet (acre-ft) at a full-pool elevation 308 ft above the National Geodetic Vertical Datum of 1929, whereas total sediment volume in the study area is 202 acre-ft. These totals indicate a loss of about 65 percent of the original water-storage capacity in the 40 years since dam construction. This corresponds to an average rate of sediment

  7. Effect of explant density and volume of cultivation medium on in-vitro multiplication of blueberry (Vaccinium corymbosum L. varieties "Brigitta" and "Legacy"

    Directory of Open Access Journals (Sweden)

    Mario Rodríguez Beraud

    2015-03-01

    Full Text Available The objective of the investigation was to evaluate the in-vitro multiplication of two varieties of blueberry (Vaccinium corymbosum L., “Brigitta” and “Legacy” in response to five explants densities (5, 10, 15, 20 and 25 and four flask volumes (10, 20, 30 and 40 mL for cultivation. For both varieties the cultivation medium WPM (Woody Plant Medium was used. The experiment was completely randomized with 20 treatments and 12 repetitions per treatment. After 45 days of cultivation we evaluated the height of shoots, number of shoots/explant, number of nodes/shoot and number of shoots/flask. Variety “Brigitta” had highest shoots at higher densities and flask volumes, while variety “Legacy” had the highest average shoot height with intermediate densities and high volumes. Regarding the number of shoots/explant, the volume of the medium had no influence on “Brigitta”, however, higher plant densities affected this parameter. With variety “Legacy” the maximum number of shoots was achieved with lower plant densities and intermediate culture volumes per flask. In relation to the number of nodes per explant "Brigitta had lower numbers as compared to “Legacy”, but with both varieties the number of nodes decresed with smaller volumes of medium in the flasks. For the number of shoots per flask, “Brigitta” responsed best at higher densities exceeding 40 shoots per flask. In contrast, “Legacy” produced maximum results at density of 25 explants in 30 mL of medium. It is concluded that for the optimum multiplication of both varieties the correct selection of both, the planting density and the volume of multiplication medium are important.

  8. Charged Domain Walls

    OpenAIRE

    Campanelli, L.; Cea, P.; Fogli, G. L.; Tedesco, L.

    2003-01-01

    In this paper we investigate Charged Domain Walls (CDW's), topological defects that acquire surface charge density $Q$ induced by fermion states localized on the walls. The presence of an electric and magnetic field on the walls is also discussed. We find a relation in which the value of the surface charge density $Q$ is connected with the existence of such topological defects.

  9. Measurement of the forward charged particle pseudorapidity density in pp collisions at √s=8 TeV using a displaced interaction point

    Energy Technology Data Exchange (ETDEWEB)

    Antchev, G. [INRNE-BAS, Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, Sofia (Bulgaria); Aspell, P. [CERN, Geneva (Switzerland); Atanassov, I. [CERN, Geneva (Switzerland); INRNE-BAS, Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, Sofia (Bulgaria); Avati, V.; Baechler, J. [CERN, Geneva (Switzerland); and others

    2015-03-17

    The pseudorapidity density of charged particles dN{sub ch}/dη is measured by the TOTEM experiment in proton–proton collisions at √s=8 TeV within the range 3.9<η<4.7 and -6.95<η<-6.9. Data were collected in a low intensity LHC run with collisions occurring at a distance of 11.25 m from the nominal interaction point. The data sample is expected to include 96–97 % of the inelastic proton–proton interactions. The measurement reported here considers charged particles with p{sub T}>0 MeV/c, produced in inelastic interactions with at least one charged particle in -7<η<-6 or 3.7<η<4.8. The dN{sub ch}/dη has been found to decrease with |η|, from 5.11 ± 0.73 at η=3.95 to 1.81 ± 0.56 at η=-6.925. Several Monte Carlo generators are compared to the data and are found to be within the systematic uncertainty of the measurement.

  10. Measurement of the forward charged particle pseudorapidity density in pp collisions at √(s) = 8 TeV using a displaced interaction point

    Energy Technology Data Exchange (ETDEWEB)

    Antchev, G. [Bulgarian Academy of Sciences, INRNE-BAS, Institute for Nuclear Research and Nuclear Energy, Sofia (Bulgaria); Aspell, P. [CERN, Geneva (Switzerland); Atanassov, I. [CERN, Geneva (Switzerland); Bulgarian Academy of Sciences, INRNE-BAS, Institute for Nuclear Research and Nuclear Energy, Sofia (Bulgaria); Avati, V. [CERN, Geneva (Switzerland); Baechler, J. [CERN, Geneva (Switzerland); Berardi, V. [INFN Sezione di Bari, Bari (Italy); Dipartimento Interateneo di Fisica di Bari, Bari (Italy); Berretti, M. [Universita degli Studi di Siena (Italy); Gruppo Collegato INFN di Siena, Siena (Italy); CERN, Geneva (Switzerland); Bossini, E. [Universita degli Studi di Siena (Italy); Gruppo Collegato INFN di Siena, Siena (Italy); Bottigli, U. [Universita degli Studi di Siena (Italy); Gruppo Collegato INFN di Siena, Siena (Italy); Bozzo, M. [INFN Sezione di Genova, Genoa (Italy); Universita degli Studi di Genova, Genoa (Italy); Bruecken, E. [Helsinki Institute of Physics, Helsinki (Finland); University of Helsinki, Department of Physics, Helsinki (Finland); Buzzo, A. [INFN Sezione di Genova, Genoa (Italy); Cafagna, F.S. [INFN Sezione di Bari, Bari (Italy); Catanesi, M.G. [INFN Sezione di Bari, Bari (Italy); Covault, C. [Case Western Reserve University, Department of Physics, Cleveland, OH (United States); Csanad, M. [MTA Wigner Research Center, RMKI, Budapest (Hungary); Eoetvoes University, Department of Atomic Physics, Budapest (Hungary); Csoergo, T. [MTA Wigner Research Center, RMKI, Budapest (Hungary); Deile, M. [CERN, Geneva (Switzerland); Doubek, M. [Czech Technical University, Prague (Czech Republic); Eggert, K. [Case Western Reserve University, Department of Physics, Cleveland, OH (United States); Eremin, V. [Ioffe Physical-Technical Institute of Russian Academy of Sciences, St. Petersburg (Russian Federation); Ferro, F. [INFN Sezione di Genova, Genoa (Italy); Fiergolski, A. [INFN Sezione di Bari, Bari (Italy); Warsaw University of Technology, Warsaw (Poland); Garcia, F. [Helsinki Institute of Physics, Helsinki (Finland); Georgiev, V. [University of West Bohemia, Plzen (Czech Republic); Giani, S. [CERN, Geneva (Switzerland); Grzanka, L. [AGH University of Science and Technology, Krakow (Poland); Polish Academy of Science, Institute of Nuclear Physics, Krakow (Poland); Hammerbauer, J. [University of West Bohemia, Plzen (Czech Republic); Heino, J. [Helsinki Institute of Physics, Helsinki (Finland); Hilden, T. [Helsinki Institute of Physics, Helsinki (Finland); University of Helsinki, Department of Physics, Helsinki (Finland); Karev, A. [CERN, Geneva (Switzerland); Kaspar, J. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (Czech Republic); CERN, Geneva (Switzerland); Kopal, J. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (Czech Republic); CERN, Geneva (Switzerland); Kundrat, V. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (Czech Republic); Lami, S. [INFN Sezione di Pisa, Pisa (Italy); Latino, G. [Universita degli Studi di Siena (Italy); Gruppo Collegato INFN di Siena, Siena (Italy); Lauhakangas, R. [Helsinki Institute of Physics, Helsinki (Finland); Leszko, T. [Warsaw University of Technology, Warsaw (Poland); Lippmaa, E. [National Institute of Chemical Physics and Biophysics NICPB, Tallinn (Estonia); Lippmaa, J. [National Institute of Chemical Physics and Biophysics NICPB, Tallinn (Estonia); Lokajicek, M.V. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (Czech Republic); Losurdo, L. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Lo Vetere, M. [INFN Sezione di Genova, Genoa (IT); Universita degli Studi di Genova, Genoa (IT); Lucas Rodriguez, F. [CERN, Geneva (CH); Macri, M. [INFN Sezione di Genova, Genoa (IT); Maeki, T. [Helsinki Institute of Physics, Helsinki (FI); Mercadante, A. [INFN Sezione di Bari, Bari (IT); Minafra, N. [Dipartimento Interateneo di Fisica di Bari, Bari (IT); CERN, Geneva (CH); Minutoli, S. [INFN Sezione di Genova, Genoa (IT); Nemes, F. [MTA Wigner Research Center, RMKI, Budapest (HU); Eoetvoes University, Department of Atomic Physics, Budapest (HU); Niewiadomski, H. [CERN, Geneva (CH); Oliveri, E. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Oljemark, F. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Orava, R. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Oriunno, M. [SLAC National Accelerator Laboratory, Stanford, CA (US); Oesterberg, K. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Palazzi, P. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Peroutka, Z. [University of West Bohemia, Plzen (CZ); Prochazka, J. [Institute of Physics of the Academy of Sciences of the Czech Republic, Prague (CZ); Quinto, M. [INFN Sezione di Bari, Bari (IT); Dipartimento Interateneo di Fisica di Bari, Bari (IT); Radermacher, E. [CERN, Geneva (CH); Radicioni, E. [INFN Sezione di Bari, Bari (IT); Ravotti, F. [CERN, Geneva (CH); Robutti, E. [INFN Sezione di Genova, Genoa (IT); Ropelewski, L. [CERN, Geneva (CH); Ruggiero, G. [CERN, Geneva (CH); Saarikko, H. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Scribano, A. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Smajek, J. [CERN, Geneva (CH); Snoeys, W. [CERN, Geneva (CH); Sodzawiczny, T. [CERN, Geneva (CH); Sziklai, J. [MTA Wigner Research Center, RMKI, Budapest (HU); Taylor, C. [Case Western Reserve University, Department of Physics, Cleveland, OH (US); Turini, N. [Universita degli Studi di Siena (IT); Gruppo Collegato INFN di Siena, Siena (IT); Vacek, V. [Czech Technical University, Prague (CZ); Welti, J. [Helsinki Institute of Physics, Helsinki (FI); University of Helsinki, Department of Physics, Helsinki (FI); Whitmore, J. [Penn State University, Department of Physics, University Park, PA (US); Wyszkowski, P. [AGH University of Science and Technology, Krakow (PL); Zielinski, K. [AGH University of Science and Technology, Krakow (PL); Collaboration: TOTEM Collaboration

    2015-03-01

    The pseudorapidity density of charged particles dN{sub ch}/dη is measured by the TOTEM experiment in proton-proton collisions at √(s) = 8 TeV within the range 3.9 < η < 4.7 and -6.95 < η < -6.9. Data were collected in a low intensity LHC run with collisions occurring at a distance of 11.25 m from the nominal interaction point. The data sample is expected to include 96-97 % of the inelastic proton-proton interactions. The measurement reported here considers charged particles with p{sub T} > 0 MeV/c, produced in inelastic interactions with at least one charged particle in -7 < η < -6 or 3.7 < η < 4.8. The dN{sub ch}/dη has been found to decrease with vertical stroke η vertical stroke, from 5.11 ± 0.73 at η = 3.95 to 1.81 ± 0.56 at η = -6.925. Several Monte Carlo generators are compared to the data and are found to be within the systematic uncertainty of the measurement. (orig.)

  11. J/ψ production as a function of charged-particle pseudorapidity density in p–Pb collisions at sNN=5.02TeV

    Directory of Open Access Journals (Sweden)

    D. Adamová

    2018-01-01

    Full Text Available We report measurements of the inclusive J/ψ yield and average transverse momentum as a function of charged-particle pseudorapidity density dNch/dη in p–Pb collisions at sNN=5.02TeV with ALICE at the LHC. The observables are normalised to their corresponding averages in non-single diffractive events. An increase of the normalised J/ψ yield with normalised dNch/dη, measured at mid-rapidity, is observed at mid-rapidity and backward rapidity. At forward rapidity, a saturation of the relative yield is observed for high charged-particle multiplicities. The normalised average transverse momentum at forward and backward rapidities increases with multiplicity at low multiplicities and saturates beyond moderate multiplicities. In addition, the forward-to-backward nuclear modification factor ratio is also reported, showing an increasing suppression of J/ψ production at forward rapidity with respect to backward rapidity for increasing charged-particle multiplicity.

  12. Investigating the effect of acene-fusion and trifluoroacetyl substitution on the electronic and charge transport properties by density functional theory

    Directory of Open Access Journals (Sweden)

    Ahmad Irfan

    2016-05-01

    Full Text Available We designed novel derivatives of 4,6-di(thiophen-2-ylpyrimidine (DTP. Two benchmark strategies including mesomerically deactivating group, as well as the extension of π-conjugation bridge (acene-fusion have been employed to enhance the electrical and charge transport properties. The density functional theory (DFT and time dependent DFT methods have been used to get optimized geometries in ground and first excited state, respectively. The structural properties (geometric parameters, electronic properties (frontier molecular orbitals; highest occupied and lowest unoccupied molecular orbitals, photophysical properties (absorption, fluorescence and phosphorescence, and important charge transport properties are discussed to establish a molecular level structure–property relationship among these derivatives. Our calculated electronic spectra i.e., absorption, fluorescence and phosphorescence have been found in good semi-quantitative agreement with available experimental data. All the newly designed derivatives displayed significantly improved electron injection ability than those of the parent molecule. The values of reorganization energy and transfer integral elucidate that DTP is a potential hole transport material. Based on our present investigation, it is expected that the naphtho and anthra derivatives of DTP are better hole transporters than those of some well-known charge transporter materials like naphthalene, anthracene, tetracene and pentacene.

  13. Charge density wave fluctuations in La{sub 2-x}Sr{sub x}CuO{sub 4} and their competition with superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Croft, Thomas; Lester, Christopher; Hayden, Stephen [H.H. Wills Physics Laboratory, University of Bristol (United Kingdom); Bombardi, Alessandro; Senn, Mark [Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire (United Kingdom)

    2015-07-01

    The recent observations of charge and stripe correlations in YBa{sub 2}Cu{sub 3}O{sub 6+x} and La{sub 2-x}Ba{sub x}CuO{sub 4} has reinvigorated interest in their role in influencing the superconductivity of the cuprates. However, structural complications of these systems makes it difficult to isolate the effect the lattice has in inducing the charge order. Here, we report hard X-ray diffraction measurements on three compositions (x=0.11,0.12,0.13) of the high-temperature superconductor La{sub 2-x}Sr{sub x}CuO{sub 4}, a canonical example of HTS with T{sub c} ∼ 35 K and a simple crystal structure. All samples show charge-density-wave (CDW) order with onset temperatures in the range 51-80 K and ordering wavevectors close to (0.23,0,0.5). We present a phase diagram of La{sub 2-x}Sr{sub x}CuO{sub 4} including the pseudogap phase, CDW and magnetic order.

  14. Correlation of endogenous hormonal levels, fibroglandular tissue volume and percent density measured using 3D MRI during one menstrual cycle.

    Science.gov (United States)

    Chen, J H; Chen, W P; Chan, S; Yeh, D C; Su, M Y; McLaren, C E

    2013-09-01

    We measured breast density (BD) on MRI and correlated with endogenous hormonal levels. Twenty-four premenopausal women received four weekly breast MRI. A blood sample was collected on the same day of MRI. BD was measured using a computer-based algorithm. The generalized estimation equation method was applied to model mean fibroglandular tissue volume (FV) and mean percent density (PD) from predictor variables including estradiol, progesterone, and week during a cycle. In week 3, a borderline significant correlation between estradiol and PD (r = 0.43, P = 0.04), estradiol and FV (r = 0.40, P = 0.05) and between progesterone and FV (r = 0.42, P = 0.04) was noted. The FV and PD measured in weeks 4 and 1 were higher than in weeks 2 and 3, adjusted for variation in endogenous estradiol and progesterone, indicating that the hormone change could not account for the changes in density. No lag effect of endogenous hormone on the change of FV or PD was noted (all P-values > 0.05). Our results showed that BD is not strongly associated with the endogenous hormone. Their association with breast cancer risk was likely coming from different mechanisms, and they should be considered as independent risk factors.

  15. Hall effect in the low charge-carrier density ferromagnet UCo{sub 0.5}Sb{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Tran, V.H.; Troc, R.; Bukowski, Z. [W. Trzebiatowski Institute for Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wroclaw (Poland); Paschen, S.; Steglich, F. [Max-Planck Institut fuer Chemische Physik fester Stoffe, 01187 Dresden (Germany)

    2006-01-01

    The Hall coefficient R {sub H} of ferromagnetic UCo{sub 0.5}Sb{sub 2} (T {sub C}=64.5 K) has been measured on a single crystal in the temperature range 2-300 K and in magnetic fields up to 7 T. The values of the normal R{sub 0} and anomalous R{sub s} coefficients were estimated by comparing R{sub H}(B) with magnetisation M (B) data. The charge carrier concentration is found to decrease rapidly when the system undergoes a transition to the ferromagnetic ordered state. The charge mobility appears to fall down by as much as two orders of magnitude for temperatures from 20 K to 2 K. We ascribe this behaviour to an enormous decrease of the carrier collision time. The temperature dependencies of the Hall mean free path and mobility can be consistently interpreted within the 2D-weak localization feature. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Comparison of air sac volume, lung volume, and lung densities determined by use of computed tomography in conscious and anesthetized Humboldt penguins (Spheniscus humboldti) positioned in ventral, dorsal, and right lateral recumbency.

    Science.gov (United States)

    Nevitt, Benjamin N; Langan, Jennifer N; Adkesson, Michael J; Mitchell, Mark A; Henzler, Margaret; Drees, Randi

    2014-08-01

    To determine the effects of recumbency on air sac volume, lung volume, and lung densities in CT images of healthy, conscious and anesthetized spontaneously breathing Humboldt penguins (Spheniscus humboldti). 25 adult (13 male and 12 female) Humboldt penguins. CT images of conscious penguins in ventral recumbency and anesthetized penguins in dorsal, ventral, and right lateral recumbency were obtained. Air sac volume, lung volume, and lung densities in CT images were calculated. A paired samples t test was used to determine whether right and left lung densities differed among recumbencies. Repeated-measures ANOVA (controlled for sex and order of recumbencies during CT) was used to determine whether air sac or lung volumes differed among recumbencies. Recumbency had a significant effect on air sac volume but not lung volume. Air sac volume was largest in conscious penguins in ventral recumbency (mean ± SD, 347.2 ± 103.1 cm(3)) and lowest in anesthetized penguins in dorsal recumbency (median, 202.0 cm(3); 10th to 90th percentile, 129.2 to 280.3 cm(3)). Lung densities were highest in anesthetized penguins in dorsal recumbency (right lung median, 0.522 g/cm(3); left lung median, 0.511 g/cm(3)) and lowest in anesthetized penguins in ventral recumbency (right lung median, 0.488 g/cm(3); left lung median, 0.482 g/cm(3)). Results indicated that anesthetized Humboldt penguins had the lowest air sac volume and highest lung densities in dorsal recumbency. Therefore, this recumbency may not be recommended. Minimal changes in lung volume were detected among recumbencies or between conscious and anesthetized penguins.

  17. Chiral Spin-Density Wave, Spin-Charge-Chern Liquid, and d+id Superconductivity in 1/4-Doped Correlated Electronic Systems on the Honeycomb Lattice

    Directory of Open Access Journals (Sweden)

    Shenghan Jiang

    2014-09-01

    Full Text Available Recently, two interesting candidate quantum phases—the chiral spin-density wave state featuring anomalous quantum Hall effect and the d+id superconductor—were proposed for the Hubbard model on the honeycomb lattice at 1/4 doping. Using a combination of exact diagonalization, density matrix renormalization group, the variational Monte Carlo method, and quantum field theories, we study the quantum phase diagrams of both the Hubbard model and the t-J model on the honeycomb lattice at 1/4 doping. The main advantage of our approach is the use of symmetry quantum numbers of ground-state wave functions on finite-size systems (up to 32 sites to sharply distinguish different quantum phases. Our results show that for 1≲U/t<40 in the Hubbard model and for 0.1density wave state or a spin-charge-Chern liquid, but not a d+id superconductor. However, in the t-J model, upon increasing J, the system goes through a first-order phase transition at J/t=0.80(2 into the d+id superconductor. Here, the spin-charge-Chern liquid state is a new type of topologically ordered quantum phase with Abelian anyons and fractionalized excitations. Experimental signatures of these quantum phases, such as tunneling conductance, are calculated. These results are discussed in the context of 1/4-doped graphene systems and other correlated electronic materials on the honeycomb lattice.

  18. Sur le volume élémentaire représentatif de la loi de perte de charge d'Ergun On the Representative Elementary Volume of the Ergun's Law

    Directory of Open Access Journals (Sweden)

    Herrmann H. J.

    2006-12-01

    Full Text Available Diverses expressions permettent de calculer la perte de charge occasionnée par le passage d'un fluide visqueux incompressible en écoulement à travers un milieu granulaire. Ces lois ont toutes une origine phénoménologique et sont obtenues à partir d'expériences réalisées à une échelle macroscopique. L'une d'entre elles, la loi d'Ergun, est couramment utilisée sous une forme locale dans des modèles de couplage fluide-solide pour réaliser le transfert de quantité de mouvement entre les deux phases sans réelle justification. Dans cet article, la simulation numérique directe des équations de Navier-Stokes est utilisée pour calculer les pertes de charge de fluide visqueux incompressible en écoulement à travers un milieu granulaire. Des simulations effectuées pour différents volumes de matériau granulaire permettent de retrouver la loi de perte de charge d'Ergun, de définir un volume élémentaire représentatif et de prouver le caractère local de cette loi. Several expressions can be used to predict the pressure drop caused by a viscous incompressible fluid flow through a granular media. These laws are empiricals and are obtained at macroscopic scale. One of these, Ergun's law, is currently used in a local form to modelling the momentum transfer between fluid and solid. There is not a real justification. In these study, the direct simulation of Navier-Stokes Equation is used to calculate pressure drop caused by viscous incompressible fluid flow through a granular media. Some simulations realised for different volume of granular media allow to find a representative elementary volume and prove the local character of the Ergun's law.

  19. Numerical study of density functional theory with mean spherical approximation for ionic condensation in highly charged confined electrolytes.

    Science.gov (United States)

    Joubaud, R; Bernard, O; Delville, A; Ern, A; Rotenberg, B; Turq, P

    2014-06-01

    We investigate numerically a density functional theory (DFT) for strongly confined ionic solutions in the canonical ensemble by comparing predictions of ionic concentration profiles and pressure for the double-layer configuration to those obtained with Monte Carlo (MC) simulations and the simpler Poisson-Boltzmann (PB) approach. The DFT consists of a bulk (ion-ion) and an ion-solid part. The bulk part includes nonideal terms accounting for long-range electrostatic and short-range steric correlations between ions and is evaluated with the mean spherical approximation and the local density approximation. The ion-solid part treats the ion-solid interactions at the mean-field level through the solution of a Poisson problem. The main findings are that ionic concentration profiles are generally better described by PB than by DFT, although DFT captures the nonmonotone co-ion profile missed by PB. Instead, DFT yields more accurate pressure predictions than PB, showing in particular that nonideal effects are important to describe highly confined ionic solutions. Finally, we present a numerical methodology capable of handling nonconvex minimization problems so as to explore DFT predictions when the reduced temperature falls below the critical temperature.

  20. Manipulation of Ovarian Function Significantly Influenced Trabecular and Cortical Bone Volume, Architecture and Density in Mice at Death.

    Science.gov (United States)

    Mason, Jeffrey B; Terry, Boston C; Merchant, Samer S; Mason, Holly M; Nazokkarmaher, Mahdi

    2015-01-01

    Previously, transplantation of ovaries from young, cycling mice into old, postreproductive-age mice increased life span and decreased cardiomyopathy at death. We anticipated that the same factors that increased life span and decreased cardiomyopathy could also influence the progression of orthopedic disease. At 11 months of age, prepubertally ovariectomized and ovary-intact mice (including reproductively cycling and acyclic mice) received new 60-day-old ovaries. At death, epiphyseal bone in the proximal tibia and the distal femur and mid-shaft tibial and femoral diaphyseal bone was analyzed with micro-computed tomography. For qualitative analysis of osteophytosis, we also included mineralized connective tissue within the stifle joint. Prepubertal ovariectomy had the greatest influence on bone volume, ovarian transplantation had the greatest influence on bone architecture and both treatments influenced bone density. Ovarian transplantation increased cortical, but not trabecular bone density and tended to increase osteophytosis and heterotopic mineralization, except in acyclic recipients. These effects may have been dictated by the timing of the treatments, with ovariectomy appearing to influence early development and ovarian transplantation limited to influencing only the postreproductive period. However, major differences observed between cycling, acyclic and ovariectomized recipients of new ovaries may have been, in part due to differences in the levels of hormone receptors present and the responsiveness of specific bone processes to hormone signaling. Changes that resulted from these treatments may represent a compensatory response to normal age-associated, negative, orthopedic changes. Alternatively, differences between treatments may simply be the 'preservation' of unblemished orthopedic conditions, prior to the influence of negative, age-associated effects. These findings may suggest that in women, tailoring hormone replacement therapy to the patient's current

  1. Nanoscale femtosecond imaging of transient hot solid density plasmas with elemental and charge state sensitivity using resonant coherent diffraction

    CERN Document Server

    Kluge, Thomas; Chung, H -K; Gutt, C; Huang, L G; Zacharias, M; Schramm, U; Cowan, T E

    2015-01-01

    Here we propose to exploit the low energy bandwidth, small wavelength and penetration power of ultrashort pulses from XFELs for resonant Small Angle Scattering (SAXS) on plasma structures in laser excited plasmas. Small angle scattering allows to detect nanoscale density fluctuations in forward scattering direction. Typically, the SAXS signal from laser excited plasmas is expected to be dominated by the free electron distribution. We propose that the ionic scattering signal becomes visible when the X-ray energy is in resonance with an electron transition between two bound states (Resonant coherent X-ray diffraction, RCXD). In this case the scattering cross-section dramatically increases so that the signal of X-ray scattering from ions silhouettes against the free electron scattering background which allows to measure the opacity and derived quantities with high spatial and temporal resolution, being fundamentally limited only by the X-ray wavelength and timing. Deriving quantities such as ion spatial distribu...

  2. The microscopic structure of charge density waves in underdoped YBa2Cu3O6.54 revealed by X-ray diffraction

    DEFF Research Database (Denmark)

    Forgan, E.M.; Blackburn, E.; Holmes, A.T.

    2015-01-01

    Charge density wave (CDW) order appears throughout the underdoped high-temperature cuprate superconductors, but the underlying symmetry breaking and the origin of the CDW remain unclear. We use X-ray diffraction to determine the microscopic structure of the CDWs in an archetypical cuprate YBa2Cu3O6...... with broken symmetry observed in scanning tunnelling microscopy and soft X-ray measurements........54 at its superconducting transition temperature ∼60 K. We find that the CDWs in this material break the mirror symmetry of the CuO2 bilayers. The ionic displacements in the CDWs have two components, which are perpendicular and parallel to the CuO2 planes, and are out of phase with each other. The planar...

  3. Evolution of coherent collective modes through consecutive charge-density-wave transitions in the (PO2)4(WO3)12 monophosphate tungsten bronze

    Science.gov (United States)

    Stojchevska, L.; Borovšak, M.; Foury-Leylekian, P.; Pouget, J.-P.; Mertelj, T.; Mihailovic, D.

    2017-07-01

    All-optical femtosecond relaxation dynamics in a single crystal of monophosphate tungsten bronze (PO2)4(WO3)2m with alternate stacking m =6 of WO3 layers was studied through the three consequent charge-density-wave (CDW) transitions. Several transient coherent collective modes associated with the different CDW transitions were observed and analyzed in the framework of the time-dependent Ginzburg-Landau theory. Remarkably, the interference of the modes leads to an apparent rectification effect in the transient reflectivity response. A saturation of the coherent-mode amplitudes with increasing pump fluence well below the CDWs destruction threshold fluence indicates a decoupling of the electronic and lattice parts of the order parameter on the femtosecond timescale.

  4. Quantum lattice fluctuations in a 1-dimensional charge-density-wave material: Luminescence and resonance Raman studies of an MX solid

    Energy Technology Data Exchange (ETDEWEB)

    Long, F.H.; Love, S.P.; Swanson, B.I.

    1993-02-01

    Luminescence spectra, both emission and excitation, and the excitation dependence of the resonance Raman (RR) spectra were measured for a 1-dimensional charge-density-wave solid, [Pt(L){sub 2}Cl{sub 2}][Pt(L){sub 2}](ClO{sub 4}){sub 4} ; L=1, 2-diaminoethane. The luminescence experiments support the existence of tail states in the band gap region, which indicate the presence of disorder. In contrast, the RR measurements conclusively demonstrated that the effects of static structural disorder on the vibrational spectroscopy can be neglected. This apparently paradoxical result can be explained by considering the zero-point motion of the lattice. The experimental results are compared to recent theoretical models.

  5. The MEM/Rietveld method with nano-applications - accurate charge-density studies of nano-structured materials by synchrotron-radiation powder diffraction.

    Science.gov (United States)

    Takata, Masaki

    2008-01-01

    Structural studies of materials with nano-sized spaces, called nano-structured materials, have been carried out by high-resolution powder diffraction. Our developed analytical method, which is the combination of the maximum-entropy method (MEM) and Rietveld refinement, the so-called MEM/Rietveld method, has been successfully applied to the analysis of synchrotron-radiation (SR) powder diffraction data measured at SPring-8, a third-generation SR light source. In this article, structural studies of nano-porous coordination polymers and endohedral metallofullerenes are presented with the advanced technique of SR powder experiment. The structure of the adsorbed guest molecule in the coordination polymer and encapsulated atoms in the fullerene cage are clearly revealed by the MEM charge density. The methodology of MEM/Rietveld analysis is also presented.

  6. Scanning Tunneling Microscopy Studies of Charge Density Waves in NbSe2 and muSR studies of Nickel doping in BaFe2As 2

    Science.gov (United States)

    Arguello Ortiz, Carlos Jose

    Scanning Tunneling Microscopy is a very powerful technique to study electronic properties of condensed matter systems at the nanoscale. Part I of this thesis describes my work on Charge Density Waves (CDW) in NbSe2. NbSe2 is a layered dichalcogenide that has a CDW phase below 33K. We describe our study of the phase transition from the normal phase to the CDW phase at atomic scales. This is more relevant in light of recent discoveries of charge order in cuprates. Brand new research has shed some light about the relationship between the pseudogap phase, charge order and superconductivity in cuprates. The behavior of the CDW phase in NbSe 2 described in chapter 3 is strongly reminiscent of this physics of cuprates. NbSe2 is an excellent test bed for the study of the effect of impurities in correlated phases. In chapter 4 we revisit the cause of CDW formation in NbSe2. By including a very dilute concentration of impurities, we obtain information of the electronic bands of the material in the CDW phase. Based on this information, we are able to discuss the relationship between nesting, electron-phonon coupling and CDW in NbSe2. We demonstrate that by combining quasiparticle interference data with additional knowledge of the quasiparticle band structure from angle resolved photoemission measurements, one can extract the wavevector and energy dependence of the important electronic scattering processes. Part II focuses on Muon Spin Rotation and its application to the study of high-Tc superconductors. We describe our muSR studies on Nickel doped BaFe 2As2. By analyzing several doping concentrations, we explore the phase diagram in the antiferromagnetic and in the superconducting phases. This discussion also includes a detailed discussion of a doping concentration which falls in-between the AF and the SC phase.

  7. Electroactive and High Dielectric Folic Acid/PVDF Composite Film Rooted Simplistic Organic Photovoltaic Self-Charging Energy Storage Cell with Superior Energy Density and Storage Capability.

    Science.gov (United States)

    Roy, Swagata; Thakur, Pradip; Hoque, Nur Amin; Bagchi, Biswajoy; Sepay, Nayim; Khatun, Farha; Kool, Arpan; Das, Sukhen

    2017-07-19

    Herein we report a simplistic prototype approach to develop an organic photovoltaic self-charging energy storage cell (OPSESC) rooted with biopolymer folic acid (FA) modified high dielectric and electroactive β crystal enriched poly(vinylidene fluoride) (PVDF) composite (PFA) thin film. Comprehensive and exhaustive characterizations of the synthesized PFA composite films validate the proper formation of β-polymorphs in PVDF. Significant improvements of both β-phase crystallization (F(β) ≈ 71.4%) and dielectric constant (ε ≈ 218 at 20 Hz for PFA of 7.5 mass %) are the twosome realizations of our current study. Enhancement of β-phase nucleation in the composites can be thought as a contribution of the strong interaction of the FA particles with the PVDF chains. Maxwell-Wagner-Sillars (MWS) interfacial polarization approves the establishment of thermally stable high dielectric values measured over a wide temperature spectrum. The optimized high dielectric and electroactive films are further employed as an active energy storage material in designing our device named as OPSESC. Self-charging under visible light irradiation without an external biasing electrical field and simultaneous remarkable self-storage of photogenerated electrical energy are the two foremost aptitudes and the spotlight of our present investigation. Our as fabricated device delivers an impressively high energy density of 7.84 mWh/g and an excellent specific capacitance of 61 F/g which is superior relative to the other photon induced two electrode organic self-charging energy storage devices reported so far. Our device also proves the realistic utility with good recycling capability by facilitating commercially available light emitting diode.

  8. Vacuum expectation values of the current density and energy-momentum tensor for a charged scalar field in curved spacetime with toroidally compactified spatial dimensions

    Science.gov (United States)

    Saharian, Aram; Kotanjyan, Anna; Sargsyan, Hayk; Simonyan, David

    2016-07-01

    The models with compact spatial dimensions appear in a number of fundamental physical theories. In particular, the idea of compactified dimensions has been extensively used in supergravity and superstring theories. In quantum field theory, the modification of the vacuum fluctuations spectrum by the periodicity conditions imposed on the field operator along compact dimensions leads to a number of interesting physical effects. A well known example of this kind, demonstrating the close relation between quantum phenomena and global geometry, is the topological Casimir effect. In models with extra compact dimensions, the Casimir energy creates a nontrivial potential for the compactification radius. This can serve as a stabilization mechanism for moduli fields and for the effective gauge couplings. The Casimir effect has also been considered as a possible origin for the dark energy in Kaluza-Klein-type and braneworld models. In the resent presentation we investigate the effects of the gravity and topology on the local properties of the quantum vacuum for a charged scalar field in the presence of a classical gauge field. Vacuum expectation value of the energy-momentum tensor and current density are investigated for a charged scalar field in dS spacetime with toroidally compact spatial dimensions in the presence of a classical constant gauge field. Due to the nontrivial topology, the latter gives rise to Aharonov-Bohm-like effect on the vacuum characteristics. The vacuum current density, energy density and stresses are even periodic functions of the magnetic flux enclosed by compact dimensions. For small values of the comoving lengths of compact dimensions, compared with the dS curvature radius, the effects of gravity on the topological contributions are small and the expectation values are expressed in terms of the corresponding quantities in the Minkowski bulk by the standard conformal relation. For large values of the comoving lengths, depending on the field mass, two

  9. Measurement of the forward charged particle pseudorapidity density in pp collisions at $\\sqrt{s}$ = 7 TeV with the TOTEM experiment

    CERN Document Server

    Antchev, G; Avati, V.; Baechler, J.; Berardi, V.; Berretti, M.; Bossini, E.; Bozzo, M.; Brogi, P.; Brucken, E.; Buzzo, A.; Cafagna, F.S.; Calicchio, M.; Catanesi, M.G.; Covault, C.; Csanad, M.; Csorgo, T.; Deile, M.; Eggert, K.; Eremin, V.; Ferretti, R.; Ferro, F.; Fiergolski, A.; Garcia, F.; Giani, S.; Greco, V.; Grzanka, L.; Heino, J.; Hilden, T.; Intonti, M.R.; Kaspar, J.; Kopal, J.; Kundrat, V.; Kurvinen, K.; Lami, S.; Latino, G.; Lauhakangas, R.; Leszko, T.; Lippmaa, E.; Lokajicek, M.; Lo Vetere, M.; Lucas Rodriguez, F.; Macri, M.; Magaletti, L.; Maki, T.; Mercadante, A.; Minafra, N.; Minutoli, S.; Nemes, F.; Niewiadomski, H.; Oliveri, E.; Oljemark, F.; Orava, R.; Oriunno, M.; Osterberg, K.; Palazzi, P.; Prochazka, J.; Quinto, M.; Radermacher, E.; Radicioni, E.; Ravotti, F.; Robutti, E.; Ropelewski, L.; Ruggiero, G.; Saarikko, H.; Santroni, A.; Scribano, A.; Snoeys, W.; Sziklai, J.; Taylor, C.; Turini, N.; Vacek, V.; Vitek, M.; Welti, J.; Whitmore, J.; Aspell, P

    2012-01-01

    The TOTEM experiment has measured the charged particle pseudorapidity density dN$_{ch}$/d$\\eta$ in pp collisions at $\\sqrt{s}$ = 7 TeV for 5.3<|$\\eta$|<6.4 in events with at least one charged particle with transverse momentum above 40 MeV/c in this pseudorapidity range. This extends the analogous measurement performed by the other LHC experiments to the previously unexplored forward $\\eta$ region. The measurement refers to more than 99% of non-diffractive processes and to single and double diffractive processes with diffractive masses above ~3.4 GeV/c$^2$, corresponding to about 95% of the total inelastic cross-section. The dN$_{ch}$/d$\\eta$ has been found to decrease with |$\\eta$|, from 3.84 $\\pm$ 0.01(stat) $\\pm$ 0.37(syst) at |$\\eta$| = 5.375 to 2.38 $\\pm$ 0.01(stat) $\\pm$ 0.21(syst) at |$\\eta$| = 6.375. Several MC generators have been compared to data; none of them has been found to fully describe the measurement.

  10. On Lunar Exospheric Column Densities and Solar Wind Access Beyond the Terminator from ROSAT Soft X-ray Observations of Solar Wind Charge Exchange (SWCX)

    Science.gov (United States)

    Collier, M. R.; Snowden, S. L.; Sarantos, M.; Benna, M.; Carter, J. A.; Cravens, T.; Farrell, W. M.; Fatemi, S.; Hills, H. K.; Hodges, R. R.; Holmstrom, M.; Kuntz, K. D.; Porter, F. S.; Read, A.; Robertson, I. P.; Sembay, S. F.; Sibeck, D. G.; Stubbs, T. J.; Travnicek, P. M.

    2013-12-01

    We analyze the ROSAT PSPC soft X-ray image of the Moon taken on 29 June 1990 by examining the radial profile of the count rate in three wedges, two wedges (one north and one south) 13-32 degrees off (19 degrees wide) the terminator towards the dark side and one wedge 38 degrees wide centered on the antisolar point. The radial profiles of both the north and the south wedges show substantial limb brightening that is absent in the 38 degree wide antisolar wedge. An analysis of the soft X-ray intensity increase associated with the limb brightening shows that its magnitude is consistent with that expected due to solar wind charge exchange (SWCX) with the tenuous lunar atmosphere based on lunar exospheric models and hybrid simulation results of solar wind access beyond the terminator. Soft X-ray imaging thus can independently infer the total lunar limb column density including all species, a property that before now has not been measured, and provide a large-scale picture of the solar wind-lunar interaction. Because the SWCX signal appears dominated by exospheric species arising from solar wind implantation, this technique can also monitor how the exosphere varies with solar wind conditions. Now along with Mars, Venus, and Earth, the Moon represents another solar system body at which solar wind charge exchange has been observed.

  11. Self-Consistent Charge Density Functional Tight-Binding Study of Poly(3,4-ethylenedioxythiophene): Poly(styrenesulfonate) Ammonia Gas Sensor.

    Science.gov (United States)

    Marutaphan, Ampaiwan; Seekaew, Yotsarayuth; Wongchoosuk, Chatchawal

    2017-12-01

    Geometric and electronic properties of 3,4-ethylenedioxythiophene (EDOT), styrene sulfonate (SS), and EDOT: SS oligomers up to 10 repeating units were studied by the self-consistent charge density functional tight-binding (SCC-DFTB) method. An application of PEDOT:PSS for ammonia (NH3) detection was highlighted and investigated both experimentally and theoretically. The results showed an important role of H-bonds in EDOT:SS oligomers complex conformation. Electrical conductivity of EDOT increased with increasing oligomers and doping SS due to enhancement of π conjugation. Printed PEDOT:PSS gas sensor exhibited relatively high response and selectivity to NH3. The SCC-DFTB calculation suggested domination of direct charge transfer process in changing of PEDOT:PSS conductivity upon NH3 exposure at room temperature. The NH3 molecules preferred to bind with PEDOT:PSS via physisorption. The most favorable adsorption site for PEDOT:PSS-NH3 interaction was found to be at the nitrogen atom of NH3 and hydrogen atoms of SS with an average optimal binding distance of 2.00 Å.

  12. The Hα Luminosity Function and Star Formation Rate Volume Density at z = 0.8 from the NEWFIRM Hα Survey

    Science.gov (United States)

    Ly, Chun; Lee, Janice C.; Dale, Daniel A.; Momcheva, Ivelina; Salim, Samir; Staudaher, Shawn; Moore, Carolynn A.; Finn, Rose

    2011-01-01

    We present new measurements of the Hα luminosity function (LF) and star formation rate (SFR) volume density for galaxies at z ~ 0.8. Our analysis is based on 1.18 μm narrowband data from the NEWFIRM Hα (NewHα) Survey, a comprehensive program designed to capture deep samples of intermediate redshift emission-line galaxies using narrowband imaging in the near-infrared. The combination of depth (≈1.9 × 10-17 erg s-1 cm-2 in Hα at 3σ) and areal coverage (0.82 deg2) of the 1.18 μm observations complements other recent Hα studies at similar redshifts, and enables us to minimize the impact of cosmic variance and place robust constraints on the shape of the LF. The present sample contains 818 NB118 excess objects, 394 of which are selected as Hα emitters. Optical spectroscopy has been obtained for 62% of the NB118 excess objects. Empirical optical broadband color classification is used to sort the remainder of the sample. A comparison of the LFs constructed for the four individual fields covered by the observations reveals significant cosmic variance, emphasizing that multiple, widely separated observations are required for such analyses. The dust-corrected LF is well described by a Schechter function with L sstarf = 1043.00±0.52 erg s-1, Φsstarf = 10-3.20±0.54 Mpc-3, and α = -1.6 ± 0.19. We compare our Hα LF and SFR density to those at z find a rise in the SFR density vprop(1 + z)3.4, which we attribute to significant L sstarf evolution. Our Hα SFR density of 10-1.00±0.18 M sun yr-1 Mpc-3 is consistent with UV and [O II] measurements at z ~ 1. We discuss how these results compare to other Hα surveys at z ~ 0.8, and find that the different methods used to determine survey completeness can lead to inconsistent results. This suggests that future surveys probing fainter luminosities are needed, and more rigorous methods of estimating the completeness should be adopted as standard procedure (for example, with simulations which try to simultaneously

  13. Matter density distributions and elastic form factors of some two ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 89; Issue 3. Matter density distributions and elastic form factors of some two-neutron halo nuclei ... These ground-state properties include the proton, neutron and matter density distributions, the corresponding rms radii, the binding energy per nucleon and the charge ...

  14. Strain Engineering a 4a×√3a Charge Density Wave Phase in Transition Metal Dichalcogenide 1T-VSe2.

    Science.gov (United States)

    Zhang, Duming; Ha, Jeonghoon; Baek, Hongwoo; Chan, Yang-Hao; Natterer, Fabian D; Myers, Alline F; Schumacher, Joshua D; Cullen, William G; Davydov, Albert V; Kuk, Young; Chou, M Y; Zhitenev, Nikolai B; Stroscio, Joseph A

    2017-07-01

    We report a rectangular charge density wave (CDW) phase in strained 1T-VSe2 thin films synthesized by molecular beam epitaxy on c-sapphire substrates. The observed CDW structure exhibits an unconventional rectangular 4a×√3a periodicity, as opposed to the previously reported hexagonal 4a×4a structure in bulk crystals and exfoliated thin layered samples. Tunneling spectroscopy shows a strong modulation of the local density of states of the same 4a×√3a CDW periodicity and an energy gap of 2ΔCDW = (9.1 ± 0.1) meV. The CDW energy gap evolves into a full gap at temperatures below 500 mK, indicating a transition to an insulating phase at ultra-low temperatures. First-principles calculations confirm the stability of both 4a×4a and 4a×√3a structures arising from soft modes in the phonon dispersion. The unconventional structure becomes preferred in the presence of strain, in agreement with experimental findings.

  15. Strain engineering a 4 a ×√ 3 a charge-density-wave phase in transition-metal dichalcogenide 1 T -VS e2

    Science.gov (United States)

    Zhang, Duming; Ha, Jeonghoon; Baek, Hongwoo; Chan, Yang-Hao; Natterer, Fabian D.; Myers, Alline F.; Schumacher, Joshua D.; Cullen, William G.; Davydov, Albert V.; Kuk, Young; Chou, M. Y.; Zhitenev, Nikolai B.; Stroscio, Joseph A.

    2017-07-01

    We report a rectangular charge density wave (CDW) phase in strained 1 T -VS e2 thin films synthesized by molecular beam epitaxy on c -sapphire substrates. The observed CDW structure exhibits an unconventional rectangular 4 a ×√ 3 a periodicity, as opposed to the previously reported hexagonal 4 a ×4 a structure in bulk crystals and exfoliated thin-layered samples. Tunneling spectroscopy shows a strong modulation of the local density of states of the same 4 a ×√ 3 a CDW periodicity and an energy gap of 2 ΔCDW=(9.1 ±0.1 ) meV . The CDW energy gap evolves into a full gap at temperatures below 500 mK, indicating a transition to an insulating phase at ultra-low temperatures. First-principles calculations confirm the stability of both 4 a ×4 a and 4 a ×√ 3 a structures arising from soft modes in the phonon dispersion. The unconventional structure becomes preferred in the presence of strain, in agreement with experimental findings.

  16. Early changes of parotid density and volume predict modifications at the end of therapy and intensity of acute xerostomia

    Energy Technology Data Exchange (ETDEWEB)

    Belli, Maria Luisa; Broggi, Sara [Ospedale San Raffaele Scientific Institute, Medical Physics, Milano (Italy); Scalco, Elisa; Rizzo, Giovanna [CNR, Istituto di Bioimmagini e Fisiologia Molecolare, Milano (Italy); Sanguineti, Giuseppe [Regina Elena National Cancer Institute, Department of Radiation Oncology, Rome (Italy); Fiorino, Claudio; Cattaneo, Giovanni Mauro [Ospedale San Raffaele Scientific Institute, Medical Physics, Milano (Italy); CNR, Istituto di Bioimmagini e Fisiologia Molecolare, Milano (Italy); Dinapoli, Nicola; Valentini, Vincenzo [Universita Cattolica del Sacro Cuore, Radiotherapy, Rome (Italy); Ricchetti, Francesco [Ospedale Sacro Cuore, Radiotherapy, Negrar (Italy)

    2014-11-15

    To quantitatively assess the predictive power of early variations of parotid gland volume and density on final changes at the end of therapy and, possibly, on acute xerostomia during IMRT for head-neck cancer. Data of 92 parotids (46 patients) were available. Kinetics of the changes during treatment were described by the daily rate of density (rΔρ) and volume (rΔvol) variation based on weekly diagnostic kVCT images. Correlation between early and final changes was investigated as well as the correlation with prospective toxicity data (CTCAEv3.0) collected weekly during treatment for 24/46 patients. A higher rΔρ was observed during the first compared to last week of treatment (-0,50 vs -0,05HU, p-value = 0.0001). Based on early variations, a good estimation of the final changes may be obtained (Δρ: AUC = 0.82, p = 0.0001; Δvol: AUC = 0.77, p = 0.0001). Both early rΔρ and rΔvol predict a higher ''mean'' acute xerostomia score (≥ median value, 1.57; p-value = 0.01). Median early density rate changes for patients with mean xerostomia score ≥ / < 1.57 were -0.98 vs -0.22 HU/day respectively (p = 0.05). Early density and volume variations accurately predict final changes of parotid glands. A higher longitudinally assessed score of acute xerostomia is well predicted by higher rΔρ and rΔvol in the first two weeks of treatment: best cut-off values were -0.50 HU/day and -380 mm{sup 3}/day for rΔρ and rΔvol respectively. Further studies are necessary to definitively assess the potential of early density/volume changes in identifying more sensitive patients at higher risk of experiencing xerostomia. (orig.) [German] Ziel der Studie ist die Untersuchung der praediktiven Aussagekraft von fruehen Veraenderungen in Volumen und Dichte der Ohrspeicheldruese in Bezug auf die finale Verformung zum Ende der Therapie sowie das Risiko von Xerostomie waehrend der intesitaetsmodulierten Strahlentherapie (IMRT) bei Kopf und Hals Tumoren. Die Studie

  17. Density Functional Study of Neutral and Charged Silver Clusters Agn with n = 2-22. Evolution of Properties and Structure.

    Science.gov (United States)

    McKee, Michael L; Samokhvalov, Alexander

    2017-07-06

    Geometries and electronic properties of neutral Agn, cationic Agn+, and anionic Agn- silver clusters with n = 2-22 were investigated by density functional theory (DFT) with M06 functional. For neutral clusters, transition from planar to "empty cage" structure occurs at n = 7, "empty cage" to "cage with one Ag atom" at n = 18, and to "cage with two Ag atoms" at n = 22. For lowest-energy Agn clusters, Ag8 and Ag18 show lowest polarizability due to closed-shell valence electron configurations 1S2/1P6 and 1S2/1P6/1D10. High stability of Ag8 is manifested in small dissociation energies of Ag9 to Ag8 plus Ag1 and Ag10 cluster to Ag8 plus Ag2. Cluster Ag20 with configuration 1S2/1P6/1D10/2S2 is stable due to low dissociation energy of Ag21 to Ag1 and Ag22 to Ag2. Cationic clusters with even n namely Ag10+ (9 valence electrons), Ag16+ (15 valence electrons), and Ag22+ (21 valence electrons) dissociate to Ag1 and closed-shell Ag9+ (1S2/1P6), Ag15+ (1S2/1D10/2S2) and Ag21+ (1S2/1P6/1D10/2S2). For odd n, Ag11+ and Ag17+ dissociate to Ag2 and closed-shell Ag9+ and Ag15+. For anionic clusters Agn-, cohesion energy Ecoh and binding energy (BE) show maxima at n = 7 and n = 17 due to stable Ag7- and Ag17- clusters. Small Agn- clusters (n = 4-11) with even n (except n = 8) have lower dissociation energy for loss of Ag1 while those with odd n have lower dissociation energy for loss of Ag2. For n = 12-22, all clusters have lower dissociation energy for loss of Ag1.

  18. High Density Schottky Barrier Infrared Charge-Coupled Device (IRCCD) Sensors For Short Wavelength Infrared (SWIR) Applications At Intermediate Temperature

    Science.gov (United States)

    Elabd, H.; Villani, T. S.; Tower, J. R.

    1982-11-01

    Monolithic 32 x 64 and 64 x 128 palladium silicide (Pd2Si) interline transfer IRCCDs sensitive in the 1-3.5 pm spectral band have been developed. This silicon imager exhibits a low response nonuniformity of typically 0.2-1.6% rms, and has been operated in the temperature range between 40-140K. Spectral response measurements of test Pd2Si p-type Si devices yield quantum efficiencies of 7.9% at 1.25 μm, 5.6% at 1.65 μm and 2.2% at 2.22 μm. Improvement in quantum efficiency is expected by optimizing the different structural parameters of the Pd2Si detectors. The spectral response of the Pd2Si detectors fit a modified Fowler emission model. The measured photo-electric barrier height for the Pd2Si detector is ≍0.34 eV and the measured quantum efficiency coefficient, C1, is 19%/eV. The dark current level of Pd2Si Schottky barrier focal plane arrays (FPAs) is sufficiently low to enable operation at intermediate tem-peratures at TV frame rates. Typical dark current level measured at 120K on the FPA is 2 nA/cm2. The Pd2Si Schottky barrier imaging technology has been developed for satellite sensing of earth resources. The operating temperature of the Pd2Si FPA is compatible with passive cooler performance. In addition, high density Pd2Si Schottky barrier FPAs are manufactured with high yield and therefore represent an economical approach to short wavelength IR imaging. A Pd2Si Schottky barrier image sensor for push-broom multispectral imaging in the 1.25, 1.65, and 2.22 μm bands is being studied. The sensor will have two line arrays (dual band capability) of 512 detectors each, with 30 μm center-to-center detector spacing. The device will be suitable for chip-to-chip abutment, thus providing the capability to produce large, multiple chip focal planes with contiguous, in-line sensors.

  19. Can Kohn-Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?

    Science.gov (United States)

    Verma, Pragya; Truhlar, Donald G

    2017-05-24

    Dipole moments are the first moment of electron density and are fundamental quantities that are often available from experiments. An exchange-correlation functional that leads to an accurate representation of the charge distribution of a molecule should accurately predict the dipole moments of the molecule. It is well known that Kohn-Sham density functional theory (DFT) is more accurate for the energetics of single-reference systems than for the energetics of multi-reference ones, but there has been less study of charge distributions. In this work, we benchmark 48 density functionals chosen with various combinations of ingredients, against accurate experimental data for dipole moments of 78 molecules, in particular 55 single-reference molecules and 23 multi-reference ones. We chose both organic and inorganic molecules, and within the category of inorganic molecules there are both main-group and transition-metal-containing molecules, with some of them being multi-reference. As one would expect, the multi-reference molecules are not as well described by single-reference DFT, and the functionals tested in this work do show larger mean unsigned errors (MUEs) for the 23 multi-reference molecules than the single-reference ones. Five of the 78 molecules have relatively large experimental error bars and were therefore not included in calculating the overall MUEs. For the 73 molecules not excluded, we find that three of the hybrid functionals, B97-1, PBE0, and TPSSh (each with less than or equal to 25% Hartree-Fock (HF) exchange), the range-separated hybrid functional, HSE06 (with HF exchange decreasing from 25% to 0 as interelectronic distance increases), and the hybrid functional, PW6B95 (with 28% HF exchange) are the best performing functionals with each yielding an MUE of 0.18 D. Perhaps the most significant finding of this study is that there exists great similarity among the success rate of various functionals in predicting dipole moments. In particular, of 39

  20. Generator localization by current source density (CSD): Implications of volume conduction and field closure at intracranial and scalp resolutions

    Science.gov (United States)

    Tenke, Craig E.; Kayser, Jürgen

    2012-01-01

    The topographic ambiguity and reference-dependency that has plagued EEG/ERP research throughout its history are largely attributable to volume conduction, which may be concisely described by a vector form of Ohm’s Law. This biophysical relationship is common to popular algorithms that infer neuronal generators via inverse solutions. It may be further simplified as Poisson’s source equation, which identifies underlying current generators from estimates of the second spatial derivative of the field potential (Laplacian transformation). Intracranial current source density (CSD) studies have dissected the “cortical dipole” into intracortical sources and sinks, corresponding to physiologically-meaningful patterns of neuronal activity at a sublaminar resolution, much of which is locally cancelled (i.e., closed field). By virtue of the macroscopic scale of the scalp-recorded EEG, a surface Laplacian reflects the radial projections of these underlying currents, representing a unique, unambiguous measure of neuronal activity at scalp. Although the surface Laplacian requires minimal assumptions compared to complex, model-sensitive inverses, the resulting waveform topographies faithfully summarize and simplify essential constraints that must be placed on putative generators of a scalp potential topography, even if they arise from deep or partially-closed fields. CSD methods thereby provide a global empirical and biophysical context for generator localization, spanning scales from intracortical to scalp recordings. PMID:22796039

  1. Volume Density, Distribution, and Ultrastructure of Secretory and Basolateral Membranes and Mitochondria Predict Parietal Cell Secretory (Dysfunction

    Directory of Open Access Journals (Sweden)

    Marian L. Miller

    2010-01-01

    Full Text Available Acid secretion in gastric parietal cells requires highly coordinated membrane transport and vesicle trafficking. Histologically, consensus defines acid secretion as the ratio of the volume density (Vd of canalicular and apical membranes (CAMs to tubulovesicular (TV membranes, a value which varies widely under normal conditions. Examination of numerous achlorhydric mice made it clear that this paradigm is discrepant when used to assess most mice with genetic mutations affecting acid secretion. Vd of organelles in parietal cells of 6 genetically engineered mouse strains was obtained to identify a stable histological phenotype of acid secretion. We confirmed that CAM to TV ratio fairly represented secretory activity in untreated and secretion-inhibited wild-type (WT mice and in NHE2−/− mice as well, though the response was significantly attenuated in the latter. However, high CAM to TV ratios wrongly posed as active acid secretion in AE2−/−, GHKA−/−, and NHE4−/− mice. Achlorhydric genotypes also had a significantly higher Vd of basolateral membrane than WT mice, and reduced Vd of mitochondria and canaliculi. The Vd of mitochondria, and ratio of the Vd of basolateral membranes/Vd of mitochondria were preferred predictors of the level of acid secretion. Alterations in acid secretion, then, cause significant changes not only in the Vd of secretory membranes but also in mitochondria and basolateral membranes.

  2. Volume density, distribution, and ultrastructure of secretory and basolateral membranes and mitochondria predict parietal cell secretory (dys)function.

    Science.gov (United States)

    Miller, Marian L; Andringa, Anastasia; Zavros, Yana; Bradford, Emily M; Shull, Gary E

    2010-01-01

    Acid secretion in gastric parietal cells requires highly coordinated membrane transport and vesicle trafficking. Histologically, consensus defines acid secretion as the ratio of the volume density (Vd) of canalicular and apical membranes (CAMs) to tubulovesicular (TV) membranes, a value which varies widely under normal conditions. Examination of numerous achlorhydric mice made it clear that this paradigm is discrepant when used to assess most mice with genetic mutations affecting acid secretion. Vd of organelles in parietal cells of 6 genetically engineered mouse strains was obtained to identify a stable histological phenotype of acid secretion. We confirmed that CAM to TV ratio fairly represented secretory activity in untreated and secretion-inhibited wild-type (WT) mice and in NHE2-/- mice as well, though the response was significantly attenuated in the latter. However, high CAM to TV ratios wrongly posed as active acid secretion in AE2-/-, GHKAalpha-/-, and NHE4-/- mice. Achlorhydric genotypes also had a significantly higher Vd of basolateral membrane than WT mice, and reduced Vd of mitochondria and canaliculi. The Vd of mitochondria, and ratio of the Vd of basolateral membranes/Vd of mitochondria were preferred predictors of the level of acid secretion. Alterations in acid secretion, then, cause significant changes not only in the Vd of secretory membranes but also in mitochondria and basolateral membranes.

  3. Centrality dependence of the charged-particle multiplicity density at mid-rapidity in Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV

    CERN Document Server

    Aamodt, Kenneth; Adamova, Dagmar; Adare, Andrew Marshall; Aggarwal, Madan; Aglieri Rinella, Gianluca; Agocs, Andras Gabor; Aguilar Salazar, Saul; Ahammed, Zubayer; Ahmad, Nazeer; Ahmad Masoodi, A; Ahn, Sang Un; Akindinov, Alexander; Aleksandrov, Dmitry; Alessandro, Bruno; Alfaro Molina, Jose Ruben; Alici, Andrea; Alkin, Anton; Almaraz Avina, Erick Jonathan; Alt, Torsten; Altini, Valerio; Altinpinar, Sedat; Altsybeev, Igor; Andrei, Cristian; Andronic, Anton; Anguelov, Venelin; Anson, Christopher Daniel; Anticic, Tome; Antinori, Federico; Antonioli, Pietro; Aphecetche, Laurent Bernard; Appelshauser, Harald; Arbor, Nicolas; Arcelli, Silvia; Arend, Andreas; Armesto, Nestor; Arnaldi, Roberta; Aronsson, Tomas Robert; Arsene, Ionut Cristian; Asryan, Andzhey; Augustinus, Andre; Averbeck, Ralf Peter; Awes, Terry; Aysto, Juha Heikki; Azmi, Mohd Danish; Bach, Matthias Jakob; Badala, Angela; Baek, Yong Wook; Bagnasco, S; Bailhache, Raphaelle Marie; Bala, Renu; Baldini Ferroli, Rinaldo; Baldisseri, Alberto; Baldit, Alain; Ban, Jaroslav; Barbera, Roberto; Barile, Francesco; Barnafoldi, Gergely Gabor; Barnby, Lee Stuart; Barret, Valerie; Bartke, Jerzy Gustaw; Basile, Maurizio; Bastid, Nicole; Bathen, Bastian; Batigne, Guillaume; Batyunya, Boris; Baumann, Christoph Heinrich; Bearden, Ian Gardner; Beck, Hans; Belikov, Iouri; Bellini, Francesca; Bellwied, Rene; Belmont-Moreno, Ernesto; Beole, Stefania; Berceanu, Ionela; Bercuci, Alexandru; Berdermann, Eleni; Berdnikov, Yaroslav; Betev, Latchezar; Bhasin, Anju; Bhati, Ashok Kumar; Bianchi, Livio; Bianchi, Nicola; Bianchin, Chiara; Bielcik, Jaroslav; Bielcikova, Jana; Bilandzic, Ante; Biolcati, Emanuele; Blanc, Aurelien Joseph; Blanco, F; Blanco, F; Blau, Dmitry; Blume, Christoph; Boccioli, Marco; Bock, Nicolas; Bogdanov, Alexey; Boggild, Hans; Bogolyubsky, Mikhail; Boldizsar, Laszlo; Bombara, Marek; Bombonati, Carlo; Book, Julian; Borel, Herve; Bortolin, Claudio; Bose, Suvendu Nath; Bossu, Francesco; Botje, Michiel; Bottger, Stefan; Boyer, Bruno Alexandre; Braun-Munzinger, Peter; Bravina, Larisa; Bregant, Marco; Breitner, Timo Gunther; Broz, Michal; Brun, Rene; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Busch, Oliver; Buthelezi, Edith Zinhle; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calvo Villar, Ernesto; Camerini, Paolo; Canoa Roman, Veronica; Cara Romeo, Giovanni; Carena, Francesco; Carena, Wisla; Carminati, Federico; Casanova Diaz, Amaya Ofelia; Caselle, Michele; Castillo Castellanos, Javier Ernesto; Catanescu, Vasile; Cavicchioli, Costanza; Cerello, Piergiorgio; Chang, Beomsu; Chapeland, Sylvain; Charvet, Jean-Luc Fernand; Chattopadhyay, Sukalyan; Chattopadhyay, Subhasis; Cherney, Michael Gerard; Cheshkov, Cvetan; Cheynis, Brigitte; Chiavassa, Emilio; Chibante Barroso, Vasco Miguel; Chinellato, David; Chochula, Peter; Chojnacki, Marek; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Coccetti, Fabrizio; Coffin, Jean-Pierre Michel; Coli, S; Conesa Balbastre, Gustavo; Conesa del Valle, Zaida; Constantin, Paul; Contin, Giacomo; Contreras, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortes Maldonado, Ismael; Cortese, Pietro; Cosentino, Mauro Rogerio; Costa, Filippo; Cotallo, Manuel Enrique; Crescio, Elisabetta; Crochet, Philippe; Cuautle, Eleazar; Cunqueiro, Leticia; D'Erasmo, Ginevra; Dainese, Andrea; Dalsgaard, Hans Hjersing; Danu, Andrea; Das, Debasish; Das, Indranil; Dash, Ajay Kumar; Dash, Sadhana; De, Sudipan; De Azevedo Moregula, Andrea; de Barros, Gabriel; De Caro, Annalisa; de Cataldo, Giacinto; de Cuveland, Jan; De Falco, Alessandro; De Gruttola, Daniele; De Marco, Nora; De Pasquale, Salvatore; De Remigis, R; de Rooij, Raoul Stefan; Delagrange, Hugues; Delgado Mercado, Ydalia; Dellacasa, Giuseppe; Deloff, Andrzej; Demanov, Vyacheslav; Denes, Ervin; Deppman, Airton; Di Bari, Domenico; Di Giglio, Carmelo; Di Liberto, Sergio; Di Mauro, Antonio; Di Nezza, Pasquale; Dietel, Thomas; Divia, Roberto; Djuvsland, Oeystein; Dobrin, Alexandru Florin; Dobrowolski, Tadeusz Antoni; Dominguez, Isabel; Donigus, Benjamin; Dordic, Olja; Dryha, Olha; Dubey, Anand Kumar; Ducroux, Laurent; Dupieux, Pascal; Dutta Majumdar, AK; Dutta Majumdar, Mihir Ranjan; Elia, Domenico; Emschermann, David Philip; Engel, Heiko; Erdal, Hege Austrheim; Espagnon, Bruno; Estienne, Magali Danielle; Esumi, Shinichi; Evans, David; Evrard, Sebastien; Eyyubova, Gyulnara; Fabjan, Christian; Fabris, Daniela; Faivre, Julien; Falchieri, Davide; Fantoni, Alessandra; Fasel, Markus; Fearick, Roger Worsley; Fedunov, Anatoly; Fehlker, Dominik; Fekete, Vladimir; Felea, Daniel; Feofilov, Grigory; Fernandez Tellez, Arturo; Ferretti, Alessandro; Ferretti, Roberta; Figueredo, Marcel; Filchagin, Sergey; Fini, Rosa Anna; Finogeev, Dmitry; Fionda, Fiorella; Fiore, Enrichetta Maria; Floris, Michele; Foertsch, Siegfried Valentin; Foka, Panagiota; Fokin, Sergey; Fragiacomo, Enrico; Fragkiadakis, Michail; Frankenfeld, Ulrich Michael; Fuchs, Ulrich; Furano, Fabrizio; Furget, Christophe; Fusco Girard, Mario; Gaardhoje, Jens Joergen; Gadrat, Sebastien Gabriel; Gagliardi, Martino; Gago, Alberto; Gallio, Mauro; Ganoti, Paraskevi; Garabatos, Jose; Gemme, Roberto; Gerhard, Jochen; Germain, Marie; Geuna, Claudio; Gheata, Andrei George; Gheata, Mihaela; Ghidini, Bruno; Ghosh, Premomoy; Girard, Martin Robert; Giraudo, G; Giubellino, Paolo; Gladysz-Dziadus, Ewa; Glassel, Peter; Gomez, Ramon; Gonzalez Santos, Humberto; Gonzalez-Trueba, Laura Helena; Gonzalez-Zamora, Pedro; Gorbunov, Sergey; Gotovac, Sven; Grabski, Varlen; Grajcarek, Robert; Grelli, Alessandro; Grigoras, Alina Gabriela; Grigoras, Costin; Grigoriev, Vladislav; Grigoryan, Ara; Grigoryan, Smbat; Grinyov, Boris; Grion, Nevio; Gros, Philippe; Grosse-Oetringhaus, Jan Fiete; Grossiord, Jean-Yves; Grosso, Raffaele; Guber, Fedor; Guernane, Rachid; Guerra Gutierrez, Cesar; Guerzoni, Barbara; Gulbrandsen, Kristjan Herlache; Gulkanyan, Hrant; Gunji, Taku; Gupta, Anik; Gupta, Ramni; Gutbrod, Hans; Haaland, Oystein Senneset; Hadjidakis, Cynthia Marie; Haiduc, Maria; Hamagaki, Hideki; Hamar, Gergoe; Harris, John William; Hartig, Matthias; Hasch, Delia; Hasegan, Dumitru; Hatzifotiadou, Despoina; Hayrapetyan, Arsen; Heide, Markus Ansgar; Heinz, Mark Thomas; Helstrup, Haavard; Herghelegiu, Andrei Ionut; Hernandez, C; Herrera Corral, Gerardo Antonio; Herrmann, Norbert; Hetland, Kristin Fanebust; Hicks, Bernard; Hille, Per Thomas; Hippolyte, Boris; Horaguchi, Takuma; Hori, Yasuto; Hristov, Peter Zahariev; Hrivnacova, Ivana; Huang, Meidana; Huber, Sebastian Bernd; Humanic, Thomas; Hwang, Dae Sung; Ichou, Raphaelle; Ilkaev, Radiy; Ilkiv, Iryna; Inaba, Motoi; Incani, Elisa; Innocenti, Gian Michele; Innocenti, Pier Giorgio; Ippolitov, Mikhail; Irfan, Muhammad; Ivan, Cristian George; Ivanov, Andrey; Ivanov, Marian; Ivanov, Vladimir; Jacholkowski, Adam Wlodzimierz; Jacobs, Peter; Jancurova, Lucia; Jangal, Swensy Gwladys; Janik, Rudolf; Jayarathna, S P; Jena, Satyajit; Jirden, Lennart; Jones, Goronwy Tudor; Jones, Peter Graham; Jovanovic, P.; Jung, Hyung Taik; Jung, Won Woong; Jusko, Anton; Kalcher, Sebastian; Kalinak, Peter; Kalisky, Matus; Kalliokoski, Tuomo Esa Aukusti; Kalweit, Alexander Philipp; Kamermans, Rene; Kanaki, Kalliopi; Kang, Eunggil; Kang, Ju Hwan; Kaplin, Vladimir; Karavichev, Oleg; Karavicheva, Tatiana; Karpechev, Evgeny; Kazantsev, Andrey; Kebschull, Udo Wolfgang; Keidel, Ralf; Khan, Mohisin Mohammed; Khanzadeev, Alexei; Kharlov, Yury; Kileng, Bjarte; Kim, Dong Jo; Kim, Dong Soo; Kim, Do Won; Kim, Hyang Nam; Kim, Jonghyun; Kim, Jin Sook; Kim, Mimae; Kim, Minwoo; Kim, Se Yong; Kim, Seon Hee; Kirsch, Stefan; Kisel, Ivan; Kiselev, Sergey; Kisiel, Adam Ryszard; Klay, Jennifer Lynn; Klein, Jochen; Klein-Bosing, Christian; Kliemant, Michael; Klovning, Arne; Kluge, Alexander; Knichel, Michael Linus; Koch, Kathrin; Kohler, Markus; Kolevatov, Rodion; Kolojvari, Anatoly; Kondratiev, Valery; Kondratyeva, Natalia; Konevskih, Artem; Kornas, Ewelina; Kottachchi Kankanamge Don, Chamath; Kour, Ravjeet; Kowalski, Marek; Kox, Serge; Koyithatta Meethaleveedu, Greeshma; Kozlov, Konstantin; Kral, Jiri; Kralik, Ivan; Kramer, Frederick; Kraus, Ingrid Christine; Krawutschke, Tobias; Kretz, Matthias; Krivda, Marian; Krumbhorn, Dirk Uwe Wilhelm; Krus, Miroslav; Kryshen, Evgeny; Krzewicki, Mikolaj; Kucheriaev, Yury; Kuhn, Christian Claude; Kuijer, Paul; Kurashvili, Podist; Kurepin, A; Kurepin, AB; Kuryakin, Alexey; Kushpil, Svetlana; Kushpil, Vasily; Kweon, Min Jung; Kwon, Youngil; La Rocca, Paola; Ladron de Guevara, Pedro; Lafage, Vincent Claude; Lara, Camilo Ernesto; Larsen, Dag Toppe; Lazzeroni, Cristina; Le Bornec, Yves; Lea, Ramona; Lee, Ki Sang; Lee, Sung Chul; Lefevre, Frederic; Lehnert, Joerg Walter; Leistam, Lars; Lenhardt, Matthieu Laurent; Lenti, Vito; Leon Monzon, Ildefonso; Leon Vargas, Hermes; Levai, Peter; Li, Xiaomei; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Liu, Lijiao; Loggins, Vera; Loginov, Vitaly; Lohn, Stefan Bernhard; Lohner, Daniel; Loizides, C; Lopez, Xavier Bernard; Lopez Noriega, Mercedes; Lopez Torres, Ernesto; Lovhoiden, Gunnar; Lu, Xianguo; Luettig, Philipp; Lunardon, Marcello; Luparello, Grazia; Luquin, Lionel; Luzzi, Cinzia; Ma, Ke; Ma, Rongrong; Madagodahettige-Don, Dilan Minthaka; Maevskaya, Alla; Mager, Magnus; Mahapatra, Durga Prasad; Maire, Antonin; Mal'Kevich, Dmitry; Malaev, Mikhail; Maldonado Cervantes, Ivonne Alicia; Malzacher, Peter; Mamonov, Alexander; Manceau, Loic Henri Antoine; Mangotra, Lalit Kumar; Manko, Vladislav; Manso, Franck; Manzari, Vito; Mao, Yaxian; Mares, Jiri; Margagliotti, Giacomo Vito; Margotti, Anselmo; Marin, Ana Maria; Martashvili, Irakli; Martinengo, Paolo; Martinez, Mario Ivan; Martinez Davalos, Arnulfo; Martinez Garcia, Gines; Martynov, Yevgen; Mas, Alexis Jean-Michel; Masciocchi, Silvia; Masera, Massimo; Masoni, Alberto; Massacrier, Laure Marie; Mastromarco, Mario; Mastroserio, Annalisa; Matthews, Zoe Louise; Matyja, Adam Tomasz; Mayani, Daniel; Mazza, G; Mazzoni, Alessandra Maria; Meddi, Franco; Menchaca-Rocha, Arturo Alejandro; Mendez Lorenzo, Patricia; Mercado Perez, Jorge; Mereu, P; Miake, Yasuo; Midori, Jumpei; Milano, Leonardo; Milosevic, Jovan; Mischke, Andre; Miskowiec, Dariusz; Mitu, Ciprian Mihai; Mlynarz, Jocelyn; Mohanty, Bedangadas; Molnar, Levente; Montano Zetina, Luis Manuel; Monteno, Marco; Montes, Esther; Morando, Maurizio; Moreira De Godoy, Denise Aparecida; Moretto, Sandra; Morsch, Andreas; Muccifora, Valeria; Mudnic, Eugen; Muhuri, Sanjib; Muller, Hans; Munhoz, Marcelo; Munoz, Jose Lorenzo; Musa, Luciano; Musso, Alfredo; Nandi, Basanta Kumar; Nania, Rosario; Nappi, Eugenio; Nattrass, Christine; Navach, Franco; Navin, Sparsh; Nayak, Tapan Kumar; Nazarenko, Sergey; Nazarov, Gleb; Nedosekin, Alexander; Nendaz, Fabien; Newby, Jason Robert; Nicassio, Maria; Nielsen, Borge Svane; Nikolaev, Sergey; Nikolic, Vedran; Nikulin, Sergey; Nikulin, Vladimir; Nilsen, Bjorn Steven; Nilsson, Mads Stormo; Noferini, Francesco; Nooren, Gerardus; Novitzky, Norbert; Nyanin, Alexandre; Nyatha, Anitha; Nygaard, Casper; Nystrand, Joakim Ingemar; Obayashi, Hideyuki; Ochirov, Alexander; Oeschler, Helmut Oskar; Oh, Sun Kun; Oleniacz, Janusz; Oppedisano, Chiara; Ortiz Velasquez, Antonio; Ortona, Giacomo; Oskarsson, Anders Nils Erik; Ostrowski, Piotr Krystian; Otterlund, Ingvar; Otwinowski, Jacek Tomasz; Oyama, Ken; Ozawa, Kyoichiro; Pachmayer, Yvonne Chiara; Pachr, Milos; Padilla, Fatima; Pagano, Paola; Paic, Guy; Painke, Florian; Pajares, Carlos; Pal, S; Pal, Susanta Kumar; Palaha, Arvinder Singh; Palmeri, Armando; Pappalardo, Giuseppe; Park, Woo Jin; Paticchio, Vincenzo; Pavlinov, Alexei; Pawlak, Tomasz Jan; Peitzmann, Thomas; Peresunko, Dmitri; Perez Lara, Carlos Eugenio; Perini, Diego; Perrino, Davide; Peryt, Wiktor Stanislaw; Pesci, Alessandro; Peskov, Vladimir; Pestov, Yury; Peters, Andreas Joachim; Petracek, Vojtech; Petris, Mariana; Petrov, Plamen Rumenov; Petrovici, Mihai; Petta, Catia; Piano, Stefano; Piccotti, Anna; Pikna, Miroslav; Pillot, Philippe; Pinazza, Ombretta; Pinsky, Lawrence; Pitz, Nora; Piuz, Francois; Piyarathna, Danthasinghe; Platt, Richard John; Ploskon, Mateusz Andrzej; Pluta, Jan Marian; Pocheptsov, Timur; Pochybova, Sona; Podesta Lerma, Pedro Luis Manuel; Poghosyan, Martin; Polak, Karel; Polichtchouk, Boris; Pop, Amalia; Pospisil, Vladimir; Potukuchi, Baba; Prasad, Sidharth Kumar; Preghenella, Roberto; Prino, Francesco; Pruneau, Claude Andre; Pshenichnov, Igor; Puddu, Giovanna; Pulvirenti, Alberto; Punin, Valery; Putis, Marian; Putschke, Jorn Henning; Quercigh, Emanuele; Qvigstad, Henrik; Rachevski, Alexandre; Rademakers, Alphonse; Rademakers, Ornella; Radomski, Sylwester; Raiha, Tomi Samuli; Rak, Jan; Rakotozafindrabe, Andry Malala; Ramello, Luciano; Ramirez Reyes, Abdiel; Rammler, Markus; Raniwala, Rashmi; Raniwala, Sudhir; Rasanen, Sami Sakari; Read, Kenneth Francis; Real, Jean-Sebastien; Redlich, Krzysztof; Renfordt, Rainer Arno Ernst; Reolon, Anna Rita; Reshetin, Andrey; Rettig, Felix Vincenz; Revol, Jean-Pierre; Reygers, Klaus Johannes; Ricaud, Helene; Riccati, Lodovico; Ricci, Renato Angelo; Richter, Matthias Rudolph; Riedler, Petra; Riegler, Werner; Riggi, Francesco; Rivetti, A; Rodriguez Cahuantzi, Mario; Rohr, David; Rohrich, Dieter; Romita, Rosa; Ronchetti, Federico; Rosinsky, Peter; Rosnet, Philippe; Rossegger, Stefan; Rossi, Andrea; Roukoutakis, Filimon; Rousseau, Sylvain Jean Henry; Roy, Christelle Sophie; Roy, Pradip Kumar; Rubio Montero, Antonio Juan; Rui, Rinaldo; Rusanov, Ivan Rusalinov; Ryabinkin, Evgeny; Rybicki, Andrzej; Sadovsky, Sergey; Safarik, Karel; Sahoo, Raghunath; Sahu, Pradip Kumar; Saiz, Pablo; Sakai, Shingo; Sakata, Dosatsu; Salgado, Carlos Albert; Samanta, Tapas; Sambyal, Sanjeev Singh; Samsonov, Vladimir; Sandor, Ladislav; Sandoval, Andres; Sano, Masato; Sano, Satoshi; Santo, Rainer; Santoro, Romualdo; Sarkamo, Juho Jaako; Saturnini, Pierre; Scapparone, Eugenio; Scarlassara, Fernando; Scharenberg, Rolf Paul; Schiaua, Claudiu Cornel; Schicker, Rainer Martin; Schmidt, Christian Joachim; Schmidt, Hans Rudolf; Schreiner, Steffen; Schuchmann, Simone; Schukraft, Jurgen; Schutz, Yves Roland; Schwarz, Kilian Eberhard; Schweda, Kai Oliver; Scioli, Gilda; Scomparin, Enrico; Scott, Patrick Aaron; Scott, Rebecca; Segato, Gianfranco; Senyukov, Serhiy; Seo, Jeewon; Serci, Sergio; Serradilla, Eulogio; Sevcenco, Adrian; Shabratova, Galina; Shahoyan, Ruben; Sharma, Natasha; Sharma, Satish; Shigaki, Kenta; Shimomura, Maya; Shtejer, Katherin; Sibiriak, Yury; Siciliano, Melinda; Sicking, Eva; Siemiarczuk, Teodor; Silenzi, Alessandro; Silvermyr, David Olle Rickard; Simonetti, Giuseppe; Singaraju, Rama Narayana; Singh, Ranbir; Sinha, Bikash; Sinha, Tinku; Sitar, Branislav; Sitta, Mario; Skaali, Bernhard; Skjerdal, Kyrre; Smakal, Radek; Smirnov, Nikolai; Snellings, Raimond; Sogaard, Carsten; Soloviev, Andrey; Soltz, Ron Ariel; Son, Hyungsuk; Song, Myunggeun; Soos, Csaba; Soramel, Francesca; Spyropoulou-Stassinaki, Martha; Srivastava, Brijesh Kumar; Stachel, Johanna; Stan, Emil; Stefanek, Grzegorz; Stefanini, Giorgio; Steinbeck, Timm Morten; Stenlund, Evert Anders; Steyn, Gideon Francois; Stocco, Diego; Stock, Reinhard; Stolpovskiy, Mikhail; Strmen, Peter; Suaide, Alexandre Alarcon do Passo; Subieta Vasquez, Martin Alfonso; Sugitate, Toru; Suire, Christophe Pierre; Sumbera, Michal; Susa, Tatjana; Swoboda, Detlef; Symons, Timothy; Szanto de Toledo, Alejandro; Szarka, Imrich; Szostak, Artur Krzysztof; Tagridis, Christos; Takahashi, Jun; Tapia Takaki, Daniel Jesus; Tauro, Arturo; Tavlet, Marc; Tejeda Munoz, Guillermo; Telesca, Adriana; Terrevoli, Cristina; Thader, Jochen Mathias; Thomas, Deepa; Thomas, Jim; Tieulent, Raphael Noel; Timmins, Anthony; Tlusty, David; Toia, Alberica; Torii, Hisayuki; Toscano, Luca; Tosello, Flavio; Traczyk, Tomasz; Truesdale, David Christopher; Trzaska, Wladyslaw Henryk; Tumkin, Alexandr; Turrisi, Rosario; Turvey, Andrew John; Tveter, Trine Spedstad; Ulery, Jason Glyndwr; Ullaland, Kjetil; Uras, Antonio; Urban, Jozef; Urciuoli, Guido Marie; Usai, Gianluca; Vacchi, A; Vala, Martin; Valencia Palomo, Lizardo; Vallero, Sara; van der Kolk, Naomi; van Leeuwen, Marco; Vande Vyvre, Pierre; Vannucci, Luigi; Vargas, Aurora Diozcora; Varma, Raghava; Vasileiou, Maria; Vasiliev, Andrey; Vechernin, Vladimir; Venaruzzo, Massimo; Vercellin, Ermanno; Vergara, Sergio; Vernet, Renaud; Verweij, Marta; Vickovic, Linda; Viesti, Giuseppe; Vikhlyantsev, Oleg; Vilakazi, Zabulon; Villalobos Baillie, Orlando; Vinogradov, Alexander; Vinogradov, Leonid; Vinogradov, Yury; Virgili, Tiziano; Viyogi, Yogendra; Vodopianov, Alexander; Voloshin, Kirill; Voloshin, Sergey; Volpe, Giacomo; von Haller, Barthelemy; Vranic, Danilo; Øvrebekk, G; Vrlakova, Janka; Vulpescu, Bogdan; Wagner, Boris; Wagner, Vladimir; Wan, Renzhuo; Wang, Dong; Wang, Yifei; Wang, Yaping; Watanabe, Kengo; Wessels, Johannes; Westerhoff, Uwe; Wiechula, Jens; Wikne, Jon; Wilde, Martin Rudolf; Wilk, Alexander; Wilk, Grzegorz Andrzej; Williams, Crispin; Windelband, Bernd Stefan; Yang, Hongyan; Yasnopolsky, Stanislav; Yi, JunGyu; Yin, Zhongbao; Yokoyama, Hiroki; Yoo, In-Kwon; Yuan, Xianbao; Yushmanov, Igor; Zabrodin, Evgeny; Zampolli, Chiara; Zaporozhets, Sergey; Zarochentsev, Andrey; Zavada, Petr; Zbroszczyk, Hanna Paulina; Zelnicek, Pierre; Zenin, Anton; Zgura, Sorin Ion; Zhalov, Mikhail; Zhang, Xiaoming; Zhou, Daicui; Zhu, Xiangrong; Zichichi, Antonino; Zinovjev, Gennady; Zoccarato, Yannick Denis; Zynovyev, Mykhaylo

    2011-01-01

    The centrality dependence of the charged-particle multiplicity density at mid-rapidity in Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV is presented. The charged-particle density normalized per participating nucleon pair increases by about a factor 2 from peripheral (70-80%) to central (0-5%) collisions. The centrality dependence is found to be similar to that observed at lower collision energies. The data are compared with models based on different mechanisms for particle production in nuclear collisions.

  4. Structural, electronic properties and charge density distribution of the LiNaB{sub 4}O{sub 7}: Theory and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, Ali Hussain, E-mail: maalidph@yahoo.co.uk [School of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); School of Material Engineering, Malaysia University of Perlis, P.O Box 77, d/a Pejabat Pos Besar, 01007 Kangar, Perlis (Malaysia); Chen, Xuean, E-mail: xueanchen@bjut.edu.cn [College of Materials Science and Engineering, Beijing University of Technology, Ping Le Yuan 100, Beijing 100124 (China); Auluck, S. [National Physical Laboratory Dr. K S Krishnan Marg, New Delhi 110012 (India); Kamarudin, H. [School of Material Engineering, Malaysia University of Perlis, P.O Box 77, d/a Pejabat Pos Besar, 01007 Kangar, Perlis (Malaysia)

    2012-11-15

    The title compound was synthesized by employing high-temperature solution reaction methods at 840 Degree-Sign C. Single-crystal XRD analysis showed that it crystallizes in the orthorhombic noncentrosymmetric space group Fdd2, with unit cell parameters a = 13.326(3) Angstrom-Sign , b = 14.072(3) Angstrom-Sign , c = 10.238(2) Angstrom-Sign , Z = 16, and V = 1919.9(7) Angstrom-Sign {sup 3}. It has two independent and interpenetrating 3D frameworks consisting of [B{sub 4}O{sub 9}]{sup 6-} groups bridged by O atoms, with intersecting channels occupied by Na{sup +} and Li{sup +} cations. The IR spectrum further confirmed the presence of both BO{sub 3} and BO{sub 4} groups. UV-vis diffuse reflectance spectrum showed a band gap of about 3.88 eV. Solid-state fluorescence spectrum exhibited the maximum emission peak at around 337.8 nm. Furthermore we have performed theoretical calculations by employing the state-of-the-art all-electron full potential linearized augmented plane wave (FP-LAPW) method to solve the Kohn Sham equations. We have optimized the atomic positions taken from our XRD data by minimizing the forces. The optimized atomic positions are used to calculate the electronic band structure, the atomic site-decomposed density of states, electron charge density and the chemical bonding features. The calculated electronic band structure and densities of states suggested that this single crystal possesses a wide energy band gap of about 2.80 eV using the local density approximation, 2.91 eV by generalized gradient approximation, 3.21 eV for the Engel-Vosko generalized gradient approximation and 3.81 eV using modified Becke-Johnson potential (mBJ). This compares well with our experimentally measured energy band gap of 3.88 eV. From our calculated electron charge density distribution, we obtain an image of the electron clouds that surround the molecules in the average unit cell of the crystal. The chemical bonding features were analyzed and the substantial covalent

  5. Analysis of an unusual hetero-halogen bonded trimer using charge ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 128; Issue 10. Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br· · · Br and type II Br· · · Cl interactions. MYSORE S PAVAN TAYUR N GURU ROW. Regular Article Volume 128 Issue 10 October 2016 pp ...

  6. Hall voltage drives pulsing counter-currents of the sliding charge density wave and of quantized normal carriers at self-filled Landau levels

    Science.gov (United States)

    Orlov, Andrey P.; Sinchenko, Aleksander A.; Monceau, Pierre; Brazovskii, Serguei; Latyshev, Yuri I.

    2017-11-01

    Remnant pockets of carriers left over after formation of a charge density wave (CDW) were brought, by virtue of transverse electric and magnetic fields, to a current-carrying state at quantized Landau Levels. The generated Hall voltage polarizes and puts to sliding the flexible CDW background. The screening from the CDW allows for a so strong redistribution of normal electrons density under the action of the Lorentz force alone, that an integer filling of the lowest Landau level might be reached at one edge at the expense of the full depletion at another edge of the Hall bar. With the Hall field exceeding the sliding threshold, the regime of exactly compensated collective and normal counter-currents develops in the open-circuit direction across the bar. The annihilation of the two currents proceeds via a regular sequence of phase slips which are the space-time vortices of the CDW phase around the enforced amplitude nodes. The resulting spontaneous generation of coherent high ( GHz) frequency signals was detected by observations of multiple Shapiro steps. This picture results from studies of micron-sized Hall bars in crystals of NbSe3 prepared by means of focused ion beams. The interpretation is confirmed and illustrated by a numerical solution of the derived equations. The depinning pulse propagates from edges to the bulk and the sliding sets in, accompanied by the generation of periodic phase slips near the Hall bar edge where the CDW phase is advanced in steps of 2π at expense of the CDW amplitude passing through zero.

  7. ARPES study of the evolution of band structure and charge density wave properties in RTe3 ( R=Y , La, Ce, Sm, Gd, Tb, and Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Zahid; Brouet, Veronique; Yang, Wanli; Zhou, Xingjiang; Hussain, Zahid; Moore, R.G.; He, R.; Lu, D. H.; Shen, Z.X.; Laverock, J.; Dugdale, S.B.; Ru, N.; Fisher, R.

    2008-01-16

    We present a detailed angle-resolved photoemission spectroscopy (ARPES) investigation of the RTe3 family, which sets this system as an ideal"textbook" example for the formation of a nesting driven charge density wave (CDW). This family indeed exhibits the full range of phenomena that can be associated to CDWinstabilities, from the opening of large gaps on the best nested parts of Fermi surface (up to 0.4 eV), to the existence of residual metallic pockets. ARPES is the best suited technique to characterize these features, thanks to its unique ability to resolve the electronic structure in k space. An additional advantage of RTe3 is that theband structure can be very accurately described by a simple two dimensional tight-binding (TB) model, which allows one to understand and easily reproduce many characteristics of the CDW. In this paper, we first establish the main features of the electronic structure by comparing our ARPES measurements with the linear muffin-tinorbital band calculations. We use this to define the validity and limits of the TB model. We then present a complete description of the CDW properties and of their strong evolution as a function of R. Using simple models, we are able to reproduce perfectly the evolution of gaps in k space, the evolution of the CDW wave vector with R, and the shape of the residual metallic pockets. Finally, we give an estimation of the CDWinteraction parameters and find that the change in the electronic density of states n (EF), due to lattice expansion when different R ions are inserted, has the correct order of magnitude to explain the evolution of the CDW properties.

  8. Angle-resolved photoemission study of the evolution of band structure and charge density wave properties in RTe3 (R= Y, La, Ce, Sm, Gd, Tb and Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Brouet, V.; Yang, W.L.; Zhou, X.J.; Hussain, Z.; Moore, R.G.; He, R.; Lu, D.H.; Shen, Z.X.; Laverock, J.; Dugdale, S.; Ru, N.; Fisher, I.R.

    2010-02-15

    We present a detailed ARPES investigation of the RTe{sub 3} family, which sets this system as an ideal 'textbook' example for the formation of a nesting driven Charge Density Wave (CDW). This family indeed exhibits the full range of phenomena that can be associated to CDW instabilities, from the opening of large gaps on the best nested parts of Fermi Surface (FS) (up to 0.4eV), to the existence of residual metallic pockets. ARPES is the best suited technique to characterize these features, thanks to its unique ability to resolve the electronic structure in k-space. An additional advantage of RTe{sub 3} is that the band structure can be very accurately described by a simple 2D tight-binding (TB) model, which allows one to understand and easily reproduce many characteristics of the CDW. In this paper, we first establish the main features of the electronic structure, by comparing our ARPES measurements with Linear Muffin-Tin Orbital band calculations. We use this to define the validity and limits of the TB model. We then present a complete description of the CDW properties and, for the first time, of their strong evolution as a function of R. Using simple models, we are able to reproduce perfectly the evolution of gaps in k-space, the evolution of the CDW wave vector with R and the shape of the residual metallic pockets. Finally, we give an estimation of the CDW interaction parameters and find that the change in the electronic density of states n(Ef), due to lattice expansion when different R ions are inserted, has the correct order of magnitude to explain the evolution of the CDW properties.

  9. Shapes and Fissility of Highly Charged and Rapidly Rotating Levitated Liquid Drops

    Science.gov (United States)

    Liao, L.; Hill, R. J. A.

    2017-09-01

    We use diamagnetic levitation to investigate the shapes and the stability of free electrically charged and spinning liquid drops of volume ˜1 ml. In addition to binary fission and Taylor cone-jet fission modes observed at low and high charge density, respectively, we also observe an unusual mode which appears to be a hybrid of the two. Measurements of the angular momentum required to fission a charged drop show that nonrotating drops become unstable to fission at the amount of charge predicted by Lord Rayleigh. This result is in contrast to the observations of most previous experiments on fissioning charged drops, which typically exhibit fission well below Rayleigh's limit.

  10. Centrality Dependence of the Charged-Particle Multiplicity Density at Midrapidity in Pb-Pb Collisions at $\\sqrt{s_{\\rm NN}}$ = 5.02 TeV

    CERN Document Server

    Adam, Jaroslav; Aggarwal, Madan Mohan; Aglieri Rinella, Gianluca; Agnello, Michelangelo; Agrawal, Neelima; Ahammed, Zubayer; Ahmad, Shakeel; Ahn, Sang Un; Aiola, Salvatore; Akindinov, Alexander; Alam, Sk Noor; Aleksandrov, Dmitry; Alessandro, Bruno; Alexandre, Didier; Alfaro Molina, Jose Ruben; Alici, Andrea; Alkin, Anton; Millan Almaraz, Jesus Roberto; Alme, Johan; Alt, Torsten; Altinpinar, Sedat; Altsybeev, Igor; Alves Garcia Prado, Caio; Andrei, Cristian; Andronic, Anton; Anguelov, Venelin; Anticic, Tome; Antinori, Federico; Antonioli, Pietro; Aphecetche, Laurent Bernard; Appelshaeuser, Harald; Arcelli, Silvia; Arnaldi, Roberta; Arnold, Oliver Werner; Arsene, Ionut Cristian; Arslandok, Mesut; Audurier, Benjamin; Augustinus, Andre; Averbeck, Ralf Peter; Azmi, Mohd Danish; Badala, Angela; Baek, Yong Wook; Bagnasco, Stefano; Bailhache, Raphaelle Marie; Bala, Renu; Balasubramanian, Supraja; Baldisseri, Alberto; Baral, Rama Chandra; Barbano, Anastasia Maria; Barbera, Roberto; Barile, Francesco; Barnafoldi, Gergely Gabor; Barnby, Lee Stuart; Ramillien Barret, Valerie; Bartalini, Paolo; Barth, Klaus; Bartke, Jerzy Gustaw; Bartsch, Esther; Basile, Maurizio; Bastid, Nicole; Basu, Sumit; Bathen, Bastian; Batigne, Guillaume; Batista Camejo, Arianna; Batyunya, Boris; Batzing, Paul Christoph; Bearden, Ian Gardner; Beck, Hans; Bedda, Cristina; Behera, Nirbhay Kumar; Belikov, Iouri; Bellini, Francesca; Bello Martinez, Hector; Bellwied, Rene; Belmont Iii, Ronald John; Belmont Moreno, Ernesto; Belyaev, Vladimir; Benacek, Pavel; Bencedi, Gyula; Beole, Stefania; Berceanu, Ionela; Bercuci, Alexandru; Berdnikov, Yaroslav; Berenyi, Daniel; Bertens, Redmer Alexander; Berzano, Dario; Betev, Latchezar; Bhasin, Anju; Bhat, Inayat Rasool; Bhati, Ashok Kumar; Bhattacharjee, Buddhadeb; Bhom, Jihyun; Bianchi, Livio; Bianchi, Nicola; Bianchin, Chiara; Bielcik, Jaroslav; Bielcikova, Jana; Bilandzic, Ante; Biro, Gabor; Biswas, Rathijit; Biswas, Saikat; Bjelogrlic, Sandro; Blair, Justin Thomas; Blau, Dmitry; Blume, Christoph; Bock, Friederike; Bogdanov, Alexey; Boggild, Hans; Boldizsar, Laszlo; Bombara, Marek; Book, Julian Heinz; Borel, Herve; Borissov, Alexander; Borri, Marcello; Bossu, Francesco; Botta, Elena; Bourjau, Christian; Braun-Munzinger, Peter; Bregant, Marco; Breitner, Timo Gunther; Broker, Theo Alexander; Browning, Tyler Allen; Broz, Michal; Brucken, Erik Jens; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Bufalino, Stefania; Buncic, Predrag; Busch, Oliver; Buthelezi, Edith Zinhle; Bashir Butt, Jamila; Buxton, Jesse Thomas; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calero Diaz, Liliet; Caliva, Alberto; Calvo Villar, Ernesto; Camerini, Paolo; Carena, Francesco; Carena, Wisla; Carnesecchi, Francesca; Castillo Castellanos, Javier Ernesto; Castro, Andrew John; Casula, Ester Anna Rita; Ceballos Sanchez, Cesar; Cerello, Piergiorgio; Cerkala, Jakub; Chang, Beomsu; Chapeland, Sylvain; Chartier, Marielle; Charvet, Jean-Luc Fernand; Chattopadhyay, Subhasis; Chattopadhyay, Sukalyan; Chauvin, Alex; Chelnokov, Volodymyr; Cherney, Michael Gerard; Cheshkov, Cvetan Valeriev; Cheynis, Brigitte; Chibante Barroso, Vasco Miguel; Dobrigkeit Chinellato, David; Cho, Soyeon; Chochula, Peter; Choi, Kyungeon; Chojnacki, Marek; Choudhury, Subikash; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Chung, Suh-Urk; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Colamaria, Fabio Filippo; Colella, Domenico; Collu, Alberto; Colocci, Manuel; Conesa Balbastre, Gustavo; Conesa Del Valle, Zaida; Connors, Megan Elizabeth; Contreras Nuno, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortes Maldonado, Ismael; Cortese, Pietro; Cosentino, Mauro Rogerio; Costa, Filippo; Crochet, Philippe; Cruz Albino, Rigoberto; Cuautle Flores, Eleazar; Cunqueiro Mendez, Leticia; Dahms, Torsten; Dainese, Andrea; Danisch, Meike Charlotte; Danu, Andrea; Das, Debasish; Das, Indranil; Das, Supriya; Dash, Ajay Kumar; Dash, Sadhana; De, Sudipan; De Caro, Annalisa; De Cataldo, Giacinto; De Conti, Camila; De Cuveland, Jan; De Falco, Alessandro; De Gruttola, Daniele; De Marco, Nora; De Pasquale, Salvatore; Deisting, Alexander; Deloff, Andrzej; Denes, Ervin Sandor; Deplano, Caterina; Dhankher, Preeti; Di Bari, Domenico; Di Mauro, Antonio; Di Nezza, Pasquale; Diaz Corchero, Miguel Angel; Dietel, Thomas; Dillenseger, Pascal; Divia, Roberto; Djuvsland, Oeystein; Dobrin, Alexandru Florin; Domenicis Gimenez, Diogenes; Donigus, Benjamin; Dordic, Olja; Drozhzhova, Tatiana; Dubey, Anand Kumar; Dubla, Andrea; Ducroux, Laurent; Dupieux, Pascal; Ehlers Iii, Raymond James; Elia, Domenico; Endress, Eric; Engel, Heiko; Epple, Eliane; Erazmus, Barbara Ewa; Erdemir, Irem; Erhardt, Filip; Espagnon, Bruno; Estienne, Magali Danielle; Esumi, Shinichi; Eum, Jongsik; Evans, David; Evdokimov, Sergey; Eyyubova, Gyulnara; Fabbietti, Laura; Fabris, Daniela; Faivre, Julien; Fantoni, Alessandra; Fasel, Markus; Feldkamp, Linus; Feliciello, Alessandro; Feofilov, Grigorii; Ferencei, Jozef; Fernandez Tellez, Arturo; Gonzalez Ferreiro, Elena; Ferretti, Alessandro; Festanti, Andrea; Feuillard, Victor Jose Gaston; Figiel, Jan; Araujo Silva Figueredo, Marcel; Filchagin, Sergey; Finogeev, Dmitry; Fionda, Fiorella; Fiore, Enrichetta Maria; Fleck, Martin Gabriel; Floris, Michele; Foertsch, Siegfried Valentin; Foka, Panagiota; Fokin, Sergey; Fragiacomo, Enrico; Francescon, Andrea; Frankenfeld, Ulrich Michael; Fronze, Gabriele Gaetano; Fuchs, Ulrich; Furget, Christophe; Furs, Artur; Fusco Girard, Mario; Gaardhoeje, Jens Joergen; Gagliardi, Martino; Gago Medina, Alberto Martin; Gallio, Mauro; Gangadharan, Dhevan Raja; Ganoti, Paraskevi; Gao, Chaosong; Garabatos Cuadrado, Jose; Garcia-Solis, Edmundo Javier; Gargiulo, Corrado; Gasik, Piotr Jan; Gauger, Erin Frances; Germain, Marie; Gheata, Andrei George; Gheata, Mihaela; Ghosh, Premomoy; Ghosh, Sanjay Kumar; Gianotti, Paola; Giubellino, Paolo; Giubilato, Piero; Gladysz-Dziadus, Ewa; Glassel, Peter; Gomez Coral, Diego Mauricio; Gomez Ramirez, Andres; Gonzalez, Victor; Gonzalez Zamora, Pedro; Gorbunov, Sergey; Gorlich, Lidia Maria; Gotovac, Sven; Grabski, Varlen; Grachov, Oleg Anatolievich; Graczykowski, Lukasz Kamil; Graham, Katie Leanne; Grelli, Alessandro; Grigoras, Alina Gabriela; Grigoras, Costin; Grigoryev, Vladislav; Grigoryan, Ara; Grigoryan, Smbat; Grynyov, Borys; Grion, Nevio; Gronefeld, Julius Maximilian; Grosse-Oetringhaus, Jan Fiete; Grossiord, Jean-Yves; Grosso, Raffaele; Guber, Fedor; Guernane, Rachid; Guerzoni, Barbara; Gulbrandsen, Kristjan Herlache; Gunji, Taku; Gupta, Anik; Gupta, Ramni; Haake, Rudiger; Haaland, Oystein Senneset; Hadjidakis, Cynthia Marie; Haiduc, Maria; Hamagaki, Hideki; Hamar, Gergoe; Hamon, Julien Charles; Harris, John William; Harton, Austin Vincent; Hatzifotiadou, Despina; Hayashi, Shinichi; Heckel, Stefan Thomas; Helstrup, Haavard; Herghelegiu, Andrei Ionut; Herrera Corral, Gerardo Antonio; Hess, Benjamin Andreas; Hetland, Kristin Fanebust; Hillemanns, Hartmut; Hippolyte, Boris; Horak, David; Hosokawa, Ritsuya; Hristov, Peter Zahariev; Huang, Meidana; Humanic, Thomas; Hussain, Nur; Hussain, Tahir; Hutter, Dirk; Hwang, Dae Sung; Ilkaev, Radiy; Inaba, Motoi; Incani, Elisa; Ippolitov, Mikhail; Irfan, Muhammad; Ivanov, Marian; Ivanov, Vladimir; Izucheev, Vladimir; Jacazio, Nicolo; Jacobs, Peter Martin; Jadhav, Manoj Bhanudas; Jadlovska, Slavka; Jadlovsky, Jan; Jahnke, Cristiane; Jakubowska, Monika Joanna; Jang, Haeng Jin; Janik, Malgorzata Anna; Pahula Hewage, Sandun; Jena, Chitrasen; Jena, Satyajit; Jimenez Bustamante, Raul Tonatiuh; Jones, Peter Graham; Jusko, Anton; Kalinak, Peter; Kalweit, Alexander Philipp; Kamin, Jason Adrian; Kang, Ju Hwan; Kaplin, Vladimir; Kar, Somnath; Karasu Uysal, Ayben; Karavichev, Oleg; Karavicheva, Tatiana; Karayan, Lilit; Karpechev, Evgeny; Kebschull, Udo Wolfgang; Keidel, Ralf; Keijdener, Darius Laurens; Keil, Markus; Khan, Mohammed Mohisin; Khan, Palash; Khan, Shuaib Ahmad; Khanzadeev, Alexei; Kharlov, Yury; Kileng, Bjarte; Kim, Do Won; Kim, Dong Jo; Kim, Daehyeok; Kim, Hyeonjoong; Kim, Jinsook; Kim, Minwoo; Kim, Se Yong; Kim, Taesoo; Kirsch, Stefan; Kisel, Ivan; Kiselev, Sergey; Kisiel, Adam Ryszard; Kiss, Gabor; Klay, Jennifer Lynn; Klein, Carsten; Klein, Jochen; Klein-Boesing, Christian; Klewin, Sebastian; Kluge, Alexander; Knichel, Michael Linus; Knospe, Anders Garritt; Kobdaj, Chinorat; Kofarago, Monika; Kollegger, Thorsten; Kolozhvari, Anatoly; Kondratev, Valerii; Kondratyeva, Natalia; Kondratyuk, Evgeny; Konevskikh, Artem; Kopcik, Michal; Kostarakis, Panagiotis; Kour, Mandeep; Kouzinopoulos, Charalampos; Kovalenko, Oleksandr; Kovalenko, Vladimir; Kowalski, Marek; Koyithatta Meethaleveedu, Greeshma; Kralik, Ivan; Kravcakova, Adela; Kretz, Matthias; Krivda, Marian; Krizek, Filip; Kryshen, Evgeny; Krzewicki, Mikolaj; Kubera, Andrew Michael; Kucera, Vit; Kuhn, Christian Claude; Kuijer, Paulus Gerardus; Kumar, Ajay; Kumar, Jitendra; Lokesh, Kumar; Kumar, Shyam; Kurashvili, Podist; Kurepin, Alexander; Kurepin, Alexey; Kuryakin, Alexey; Kweon, Min Jung; Kwon, Youngil; La Pointe, Sarah Louise; La Rocca, Paola; Ladron De Guevara, Pedro; Lagana Fernandes, Caio; Lakomov, Igor; Langoy, Rune; Lara Martinez, Camilo Ernesto; Lardeux, Antoine Xavier; Lattuca, Alessandra; Laudi, Elisa; Lea, Ramona; Leardini, Lucia; Lee, Graham Richard; Lee, Seongjoo; Lehas, Fatiha; Lemmon, Roy Crawford; Lenti, Vito; Leogrande, Emilia; Leon Monzon, Ildefonso; Leon Vargas, Hermes; Leoncino, Marco; Levai, Peter; Li, Shuang; Li, Xiaomei; Lien, Jorgen Andre; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Ljunggren, Hans Martin; Lodato, Davide Francesco; Lonne, Per-Ivar; Loginov, Vitaly; Loizides, Constantinos; Lopez, Xavier Bernard; Lopez Torres, Ernesto; Lowe, Andrew John; Luettig, Philipp Johannes; Lunardon, Marcello; Luparello, Grazia; Lutz, Tyler Harrison; Maevskaya, Alla; Mager, Magnus; Mahajan, Sanjay; Mahmood, Sohail Musa; Maire, Antonin; Majka, Richard Daniel; Malaev, Mikhail; Maldonado Cervantes, Ivonne Alicia; Malinina, Liudmila; Mal'Kevich, Dmitry; Malzacher, Peter; Mamonov, Alexander; Manko, Vladislav; Manso, Franck; Manzari, Vito; Marchisone, Massimiliano; Mares, Jiri; Margagliotti, Giacomo Vito; Margotti, Anselmo; Margutti, Jacopo; Marin, Ana Maria; Markert, Christina; Marquard, Marco; Martin, Nicole Alice; Martin Blanco, Javier; Martinengo, Paolo; Martinez Hernandez, Mario Ivan; Martinez-Garcia, Gines; Martinez Pedreira, Miguel; Mas, Alexis Jean-Michel; Masciocchi, Silvia; Masera, Massimo; Masoni, Alberto; Massacrier, Laure Marie; Mastroserio, Annalisa; Matyja, Adam Tomasz; Mayer, Christoph; Mazer, Joel Anthony; Mazzoni, Alessandra Maria; Mcdonald, Daniel; Meddi, Franco; Melikyan, Yuri; Menchaca-Rocha, Arturo Alejandro; Meninno, Elisa; Mercado-Perez, Jorge; Meres, Michal; Miake, Yasuo; Mieskolainen, Matti Mikael; Mikhaylov, Konstantin; Milano, Leonardo; Milosevic, Jovan; Minervini, Lazzaro Manlio; Mischke, Andre; Mishra, Aditya Nath; Miskowiec, Dariusz Czeslaw; Mitra, Jubin; Mitu, Ciprian Mihai; Mohammadi, Naghmeh; Mohanty, Bedangadas; Molnar, Levente; Montano Zetina, Luis Manuel; Montes Prado, Esther; Moreira De Godoy, Denise Aparecida; Perez Moreno, Luis Alberto; Moretto, Sandra; Morreale, Astrid; Morsch, Andreas; Muccifora, Valeria; Mudnic, Eugen; Muhlheim, Daniel Michael; Muhuri, Sanjib; Mukherjee, Maitreyee; Mulligan, James Declan; Gameiro Munhoz, Marcelo; Munzer, Robert Helmut; Murakami, Hikari; Murray, Sean; Musa, Luciano; Musinsky, Jan; Naik, Bharati; Nair, Rahul; Nandi, Basanta Kumar; Nania, Rosario; Nappi, Eugenio; Naru, Muhammad Umair; Ferreira Natal Da Luz, Pedro Hugo; Nattrass, Christine; Rosado Navarro, Sebastian; Nayak, Kishora; Nayak, Ranjit; Nayak, Tapan Kumar; Nazarenko, Sergey; Nedosekin, Alexander; Nellen, Lukas; Ng, Fabian; Nicassio, Maria; Niculescu, Mihai; Niedziela, Jeremi; Nielsen, Borge Svane; Nikolaev, Sergey; Nikulin, Sergey; Nikulin, Vladimir; Noferini, Francesco; Nomokonov, Petr; Nooren, Gerardus; Cabanillas Noris, Juan Carlos; Norman, Jaime; Nyanin, Alexander; Nystrand, Joakim Ingemar; Oeschler, Helmut Oskar; Oh, Saehanseul; Oh, Sun Kun; Ohlson, Alice Elisabeth; Okatan, Ali; Okubo, Tsubasa; Olah, Laszlo; Oleniacz, Janusz; Oliveira Da Silva, Antonio Carlos; Oliver, Michael Henry; Onderwaater, Jacobus; Oppedisano, Chiara; Orava, Risto; Ortiz Velasquez, Antonio; Oskarsson, Anders Nils Erik; Otwinowski, Jacek Tomasz; Oyama, Ken; Ozdemir, Mahmut; Pachmayer, Yvonne Chiara; Pagano, Paola; Paic, Guy; Pal, Susanta Kumar; Pan, Jinjin; Pandey, Ashutosh Kumar; Papikyan, Vardanush; Pappalardo, Giuseppe; Pareek, Pooja; Park, Woojin; Parmar, Sonia; Passfeld, Annika; Paticchio, Vincenzo; Patra, Rajendra Nath; Paul, Biswarup; Pei, Hua; Peitzmann, Thomas; Pereira Da Costa, Hugo Denis Antonio; Peresunko, Dmitry Yurevich; Perez Lara, Carlos Eugenio; Perez Lezama, Edgar; Peskov, Vladimir; Pestov, Yury; Petracek, Vojtech; Petrov, Viacheslav; Petrovici, Mihai; Petta, Catia; Piano, Stefano; Pikna, Miroslav; Pillot, Philippe; Ozelin De Lima Pimentel, Lais; Pinazza, Ombretta; Pinsky, Lawrence; Piyarathna, Danthasinghe; Ploskon, Mateusz Andrzej; Planinic, Mirko; Pluta, Jan Marian; Pochybova, Sona; Podesta Lerma, Pedro Luis Manuel; Poghosyan, Martin; Polishchuk, Boris; Poljak, Nikola; Poonsawat, Wanchaloem; Pop, Amalia; Porteboeuf, Sarah Julie; Porter, R Jefferson; Pospisil, Jan; Prasad, Sidharth Kumar; Preghenella, Roberto; Prino, Francesco; Pruneau, Claude Andre; Pshenichnov, Igor; Puccio, Maximiliano; Puddu, Giovanna; Pujahari, Prabhat Ranjan; Punin, Valery; Putschke, Jorn Henning; Qvigstad, Henrik; Rachevski, Alexandre; Raha, Sibaji; Rajput, Sonia; Rak, Jan; Rakotozafindrabe, Andry Malala; Ramello, Luciano; Rami, Fouad; Raniwala, Rashmi; Raniwala, Sudhir; Rasanen, Sami Sakari; Rascanu, Bogdan Theodor; Rathee, Deepika; Read, Kenneth Francis; Redlich, Krzysztof; Reed, Rosi Jan; Rehman, Attiq Ur; Reichelt, Patrick Simon; Reidt, Felix; Ren, Xiaowen; Renfordt, Rainer Arno Ernst; Reolon, Anna Rita; Reshetin, Andrey; Revol, Jean-Pierre; Reygers, Klaus Johannes; Riabov, Viktor; Ricci, Renato Angelo; Richert, Tuva Ora Herenui; Richter, Matthias Rudolph; Riedler, Petra; Riegler, Werner; Riggi, Francesco; Ristea, Catalin-Lucian; Rocco, Elena; Rodriguez Cahuantzi, Mario; Rodriguez Manso, Alis; Roeed, Ketil; Rogochaya, Elena; Rohr, David Michael; Roehrich, Dieter; Romita, Rosa; Ronchetti, Federico; Ronflette, Lucile; Rosnet, Philippe; Rossi, Andrea; Roukoutakis, Filimon; Roy, Ankhi; Roy, Christelle Sophie; Roy, Pradip Kumar; Rubio Montero, Antonio Juan; Rui, Rinaldo; Russo, Riccardo; Ryabinkin, Evgeny; Ryabov, Yury; Rybicki, Andrzej; Sadovskiy, Sergey; Safarik, Karel; Sahlmuller, Baldo; Sahoo, Pragati; Sahoo, Raghunath; Sahoo, Sarita; Sahu, Pradip Kumar; Saini, Jogender; Sakai, Shingo; Saleh, Mohammad Ahmad; Salzwedel, Jai Samuel Nielsen; Sambyal, Sanjeev Singh; Samsonov, Vladimir; Sandor, Ladislav; Sandoval, Andres; Sano, Masato; Sarkar, Debojit; Sarma, Pranjal; Scapparone, Eugenio; Scarlassara, Fernando; Schiaua, Claudiu Cornel; Schicker, Rainer Martin; Schmidt, Christian Joachim; Schmidt, Hans Rudolf; Schuchmann, Simone; Schukraft, Jurgen; Schulc, Martin; Schuster, Tim Robin; Schutz, Yves Roland; Schwarz, Kilian Eberhard; Schweda, Kai Oliver; Scioli, Gilda; Scomparin, Enrico; Scott, Rebecca Michelle; Sefcik, Michal; Seger, Janet Elizabeth; Sekiguchi, Yuko; Sekihata, Daiki; Selyuzhenkov, Ilya; Senosi, Kgotlaesele; Senyukov, Serhiy; Serradilla Rodriguez, Eulogio; Sevcenco, Adrian; Shabanov, Arseniy; Shabetai, Alexandre; Shadura, Oksana; Shahoyan, Ruben; Shangaraev, Artem; Sharma, Ankita; Sharma, Mona; Sharma, Monika; Sharma, Natasha; Shigaki, Kenta; Shtejer Diaz, Katherin; Sibiryak, Yury; Siddhanta, Sabyasachi; Sielewicz, Krzysztof Marek; Siemiarczuk, Teodor; Silvermyr, David Olle Rickard; Silvestre, Catherine Micaela; Simatovic, Goran; Simonetti, Giuseppe; Singaraju, Rama Narayana; Singh, Ranbir; Singha, Subhash; Singhal, Vikas; Sinha, Bikash; Sarkar - Sinha, Tinku; Sitar, Branislav; Sitta, Mario; Skaali, Bernhard; Slupecki, Maciej; Smirnov, Nikolai; Snellings, Raimond; Snellman, Tomas Wilhelm; Soegaard, Carsten; Song, Jihye; Song, Myunggeun; Song, Zixuan; Soramel, Francesca; Sorensen, Soren Pontoppidan; Derradi De Souza, Rafael; Sozzi, Federica; Spacek, Michal; Spiriti, Eleuterio; Sputowska, Iwona Anna; Spyropoulou-Stassinaki, Martha; Stachel, Johanna; Stan, Ionel; Stankus, Paul; Stefanek, Grzegorz; Stenlund, Evert Anders; Steyn, Gideon Francois; Stiller, Johannes Hendrik; Stocco, Diego; Strmen, Peter; Alarcon Do Passo Suaide, Alexandre; Sugitate, Toru; Suire, Christophe Pierre; Suleymanov, Mais Kazim Oglu; Suljic, Miljenko; Sultanov, Rishat; Sumbera, Michal; Szabo, Alexander; Szanto De Toledo, Alejandro; Szarka, Imrich; Szczepankiewicz, Adam; Szymanski, Maciej Pawel; Tabassam, Uzma; Takahashi, Jun; Tambave, Ganesh Jagannath; Tanaka, Naoto; Tangaro, Marco-Antonio; Tarhini, Mohamad; Tariq, Mohammad; Tarzila, Madalina-Gabriela; Tauro, Arturo; Tejeda Munoz, Guillermo; Telesca, Adriana; Terasaki, Kohei; Terrevoli, Cristina; Teyssier, Boris; Thaeder, Jochen Mathias; Thomas, Deepa; Tieulent, Raphael Noel; Timmins, Anthony Robert; Toia, Alberica; Trogolo, Stefano; Trombetta, Giuseppe; Trubnikov, Victor; Trzaska, Wladyslaw Henryk; Tsuji, Tomoya; Tumkin, Alexandr; Turrisi, Rosario; Tveter, Trine Spedstad; Ullaland, Kjetil; Uras, Antonio; Usai, Gianluca; Utrobicic, Antonija; Vajzer, Michal; Vala, Martin; Valencia Palomo, Lizardo; Vallero, Sara; Van Der Maarel, Jasper; Van Hoorne, Jacobus Willem; Van Leeuwen, Marco; Vanat, Tomas; Vande Vyvre, Pierre; Varga, Dezso; Diozcora Vargas Trevino, Aurora; Vargyas, Marton; Varma, Raghava; Vasileiou, Maria; Vasiliev, Andrey; Vauthier, Astrid; Vechernin, Vladimir; Veen, Annelies Marianne; Veldhoen, Misha; Velure, Arild; Venaruzzo, Massimo; Vercellin, Ermanno; Vergara Limon, Sergio; Vernet, Renaud; Verweij, Marta; Vickovic, Linda; Viesti, Giuseppe; Viinikainen, Jussi Samuli; Vilakazi, Zabulon; Villalobos Baillie, Orlando; Villatoro Tello, Abraham; Vinogradov, Alexander; Vinogradov, Leonid; Vinogradov, Yury; Virgili, Tiziano; Vislavicius, Vytautas; Viyogi, Yogendra; Vodopyanov, Alexander; Volkl, Martin Andreas; Voloshin, Kirill; Voloshin, Sergey; Volpe, Giacomo; Von Haller, Barthelemy; Vorobyev, Ivan; Vranic, Danilo; Vrlakova, Janka; Vulpescu, Bogdan; Wagner, Boris; Wagner, Jan; Wang, Hongkai; Wang, Mengliang; Watanabe, Daisuke; Watanabe, Yosuke; Weber, Michael; Weber, Steffen Georg; Weiser, Dennis Franz; Wessels, Johannes Peter; Westerhoff, Uwe; Whitehead, Andile Mothegi; Wiechula, Jens; Wikne, Jon; Wilk, Grzegorz Andrzej; Wilkinson, Jeremy John; Williams, Crispin; Windelband, Bernd Stefan; Winn, Michael Andreas; Yang, Hongyan; Yang, Ping; Yano, Satoshi; Yasar, Cigdem; Yin, Zhongbao; Yokoyama, Hiroki; Yoo, In-Kwon; Yoon, Jin Hee; Yurchenko, Volodymyr; Yushmanov, Igor; Zaborowska, Anna; Zaccolo, Valentina; Zaman, Ali; Zampolli, Chiara; Correia Zanoli, Henrique Jose; Zaporozhets, Sergey; Zardoshti, Nima; Zarochentsev, Andrey; Zavada, Petr; Zavyalov, Nikolay; Zbroszczyk, Hanna Paulina; Zgura, Sorin Ion; Zhalov, Mikhail; Zhang, Haitao; Zhang, Xiaoming; Zhang, Yonghong; Chunhui, Zhang; Zhang, Zuman; Zhao, Chengxin; Zhigareva, Natalia; Zhou, Daicui; Zhou, You; Zhou, Zhuo; Zhu, Hongsheng; Zhu, Jianhui; Zichichi, Antonino; Zimmermann, Alice; Zimmermann, Markus Bernhard; Zinovjev, Gennady; Zyzak, Maksym

    2016-06-03

    The pseudorapidity density of charged particles ($\\mathrm{d}N_\\mathrm{ch}/\\mathrm{d}\\eta$) at mid-rapidity in Pb-Pb collisions has been measured at a center-of-mass energy per nucleon pair of $\\sqrt{s_{\\rm NN}}$ = 5.02 TeV. It increases with centrality and reaches a value of $1943 \\pm 54$ in $|\\eta|<0.5$ for the 5% most central collisions. A rise in $\\mathrm{d}N_\\mathrm{ch}/\\mathrm{d}\\eta$ as a function of $\\sqrt{s_{\\rm NN}}$ for the most central collisions is observed, steeper than that observed in proton-proton collisions and following the trend established by measurements at lower energy. The centrality dependence of $\\mathrm{d}N_\\mathrm{ch}/\\mathrm{d}\\eta$ as a function of the average number of participant nucleons, ${\\langle N_\\mathrm{part} \\rangle}$, calculated in a Glauber model, is compared with the previous measurement at lower energy. A constant factor of about 1.2 describes the increase in $\\frac{2}{\\langle N_\\mathrm{part} \\rangle}\\langle \\mathrm{d}N_\\mathrm{ch}/\\mathrm{d}\\eta \\rangle$ from $\\sq...

  11. Synchrotron x-ray scattering study of charge-density-wave order in HgBa2CuO4 +δ

    Science.gov (United States)

    Tabis, W.; Yu, B.; Bialo, I.; Bluschke, M.; Kolodziej, T.; Kozlowski, A.; Blackburn, E.; Sen, K.; Forgan, E. M.; Zimmermann, M. v.; Tang, Y.; Weschke, E.; Vignolle, B.; Hepting, M.; Gretarsson, H.; Sutarto, R.; He, F.; Le Tacon, M.; Barišić, N.; Yu, G.; Greven, M.

    2017-10-01

    We present a detailed synchrotron x-ray scattering study of the charge-density-wave (CDW) order in simple tetragonal HgBa2CuO4 +δ (Hg1201). Resonant soft x-ray scattering measurements reveal that short-range order appears at a temperature that is distinctly lower than the pseudogap temperature and in excellent agreement with a prior transient reflectivity result. Despite considerable structural differences between Hg1201 and YBa2Cu3O6 +δ , the CDW correlations exhibit similar doping dependencies, and we demonstrate a universal relationship between the CDW wave vector and the size of the reconstructed Fermi pocket observed in quantum oscillation experiments. The CDW correlations in Hg1201 vanish already below optimal doping, once the correlation length is comparable to the CDW modulation period, and they appear to be limited by the disorder potential from unit cells hosting two interstitial oxygen atoms. A complementary hard x-ray diffraction measurement, performed on an underdoped Hg1201 sample in magnetic fields along the crystallographic c axis of up to 16 T, provides information on the form factor of the CDW order. As expected from the single-CuO2-layer structure of Hg1201, the CDW correlations vanish at half-integer values of L and appear to be peaked at integer L . We conclude that the atomic displacements associated with the short-range CDW order are mainly planar, within the CuO2 layers.

  12. Spatial distribution of superconducting and charge-density-wave order parameters in cuprates and its influence on the quasiparticle tunnel current (Review Article)

    Science.gov (United States)

    Gabovich, Alexander M.; Voitenko, Alexander I.

    2016-10-01

    The state of the art concerning tunnel measurements of energy gaps in cuprate oxides has been analyzed. A detailed review of the relevant literature is made, and original results calculated for the quasiparticle tunnel current J(V) between a metallic tip and a disordered d-wave superconductor partially gapped by charge density waves (CDWs) are reported, because it is this model of high-temperature superconductors that becomes popular owing to recent experiments in which CDWs were observed directly. The current was calculated suggesting the scatter of both the superconducting and CDW order parameters due to the samples' intrinsic inhomogeneity. It was shown that peculiarities in the current-voltage characteristics inherent to the case of homogeneous superconducting material are severely smeared, and the CDW-related features transform into experimentally observed peak-dip-hump structures. Theoretical results were used to fit data measured for YBa2Cu3O7-δ and Bi2Sr2CaCu2O8+δ. The fitting demonstrated a good qualitative agreement between the experiment and model calculations. The analysis of the energy gaps in high-Tc superconductors is important both per se and as a tool to uncover the nature of superconductivity in cuprates not elucidated so far despite of much theoretical effort and experimental progress.

  13. Coexistence of bulk and surface states probed by Shubnikov-de Haas oscillations in Bi2Se3 with high charge-carrier density

    Science.gov (United States)

    de Vries, E. K.; Pezzini, S.; Meijer, M. J.; Koirala, N.; Salehi, M.; Moon, J.; Oh, S.; Wiedmann, S.; Banerjee, T.

    2017-07-01

    Topological insulators are ideally represented as having an insulating bulk with topologically protected, spin-textured surface states. However, it is increasingly becoming clear that these surface transport channels can be accompanied by a finite conducting bulk, as well as additional topologically trivial surface states. To investigate these parallel conduction transport channels, we studied Shubnikov-de Haas oscillations in Bi2Se3 thin films, in high magnetic fields up to 30 T so as to access channels with a lower mobility. We identify a clear Zeeman-split bulk contribution to the oscillations from a comparison between the charge-carrier densities extracted from the magnetoresistance and the oscillations. Furthermore, our analyses indicate the presence of a two-dimensional state and signatures of additional states the origin of which cannot be conclusively determined. Our findings underpin the necessity of theoretical studies on the origin of and the interplay between these parallel conduction channels for a careful analysis of the material's performance.

  14. On lunar exospheric column densities and solar wind access beyond the terminator from ROSAT soft X-ray observations of solar wind charge exchange

    Science.gov (United States)

    Collier, Michael R.; Snowden, S. L.; Sarantos, M.; Benna, M.; Carter, J. A.; Cravens, T. E.; Farrell, W. M.; Fatemi, S.; Hills, H. Kent; Hodges, R. R.; Holmström, M.; Kuntz, K. D.; Porter, F. Scott; Read, A.; Robertson, I. P.; Sembay, S. F.; Sibeck, D. G.; Stubbs, T. J.; Travnicek, P.; Walsh, B. M.

    2014-07-01

    We analyze the Röntgen satellite (ROSAT) position sensitive proportional counter soft X-ray image of the Moon taken on 29 June 1990 by examining the radial profile of the surface brightness in three wedges: two 19° wedges (one north and one south) 13-32° off the terminator toward the dark side and one wedge 38° wide centered on the antisolar direction. The radial profiles of both the north and the south wedges show significant limb brightening that is absent in the 38° wide antisolar wedge. An analysis of the soft X-ray intensity increase associated with the limb brightening shows that its magnitude is consistent with that expected due to solar wind charge exchange (SWCX) with the tenuous lunar atmosphere based on lunar exospheric models and hybrid simulation results of solar wind access beyond the terminator. Soft X-ray imaging thus can independently infer the total lunar limb column density including all species, a property that before now has not been measured, and provide a large-scale picture of the solar wind-lunar interaction. Because the SWCX signal appears to be dominated by exospheric species arising from solar wind implantation, this technique can also determine how the exosphere varies with solar wind conditions. Now, along with Mars, Venus, and Earth, the Moon represents another solar system body at which SWCX has been observed.

  15. The temperature dependent shear strain of the (NbSe4)(10)I-3 compound, a quasi-one-dimensional charge density wave system, below the Peierls transition

    NARCIS (Netherlands)

    Vucic, Z; Gladic, J; Haas, C; DeBoer, JL

    An X-ray study of the quasi-one-dimensional charge density wave (CDW) system (NbSe4)(10)I-3 as a function of temperature from room temperature down to 130 K has been performed by taking oscillation and zeroth level Weissenberg photographs. A reversible transformation of the room temperature

  16. Effects of age, breast density and volume on breast cancer diagnosis: a retrospective comparison of sensitivity of mammography and ultrasonography in China's rural areas.

    Science.gov (United States)

    Wang, Feng-Liang; Chen, Fei; Yin, Hong; Xu, Nan; Wu, Xiao-Xiang; Ma, Jing-Jing; Gao, Shen; Tang, Jin-Hai; Lu, Cheng

    2013-01-01

    Mammography has been confirmed as the only effective mode to improve the prognosis of patients with breast cancer in Western developed countries, but might not be a good choice in other areas of the world. One of the major challenges in China is to determine an optimal imaging modality for breast cancer screening. This study was designed to clarify the sensitivity of ultrasonography compared with that of mammography in rural China. We retrospectively studied the sensitivity of mammography and ultrasonography based on 306 breast cancer patients detected by the program of "screening for cervical cancer and breast cancer" performed in Chinese rural areas between January 2009 and December 2011, and analyzed the effects of age, breast density and volume on the sensitivity. Stratified analysis showed that the sensitivity of breast ultrasonography was significantly higher than that of mammography in premenopausal patients (81.4% vs. 61.1%, p=0.02), in women ≤ 55 years of age (82.2% vs. 63.4%, pbreast density group (American College of Radiology [ACR] levels 3-4) (85.9% vs. 60.6%, pbreast volume group (≤ 400 ml) (87.1% vs. 66.7%, pAge had a significant effect on sensitivity of mammography (breast density and volume-adjusted odds ratio, 6.39; 95% confidence interval, 2.8-14.4 in age group > 55 compared to age group ≤ 45), but not that of ultrasonography. Neither breast density nor volume had significant effect on sensitivity of mammography or ultrasonography. Ultrasonography is more sensitive than mammography in detecting breast cancer in women under 55 year-old Chinese, especially in those with high-density and relatively small breasts.

  17. The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations.

    Science.gov (United States)

    Maupin, C Mark; Aradi, Bálint; Voth, Gregory A

    2010-05-27

    The self-consistent charge density functional tight binding (SCC-DFTB) method is a relatively new approximate electronic structure method that is increasingly used to study biologically relevant systems in aqueous environments. There have been several gas phase cluster calculations that indicate, in some instances, an ability to predict geometries, energies, and vibrational frequencies in reasonable agreement with high level ab initio calculations. However, to date, there has been little validation of the method for bulk water properties, and no validation for the properties of the hydrated excess proton in water. Presented here is a detailed SCC-DFTB analysis of the latter two systems. This work focuses on the ability of the original SCC-DFTB method, and a modified version that includes a hydrogen bonding damping function (HBD-SCC-DFTB), to describe the structural, energetic, and dynamical nature of these aqueous systems. The SCC-DFTB and HBD-SCC-DFTB results are compared to experimental data and Car-Parrinello molecular dynamics (CPMD) simulations using the HCTH/120 gradient-corrected exchange-correlation energy functional. All simulations for these systems contained 128 water molecules, plus one additional proton in the case of the excess proton system, and were carried out in a periodic simulation box with Ewald long-range electrostatics. The liquid water structure for the original SCC-DFTB is shown to poorly reproduce bulk water properties, while the HBD-SCC-DFTB somewhat more closely represents bulk water due to an improved ability to describe hydrogen bonding energies. Both SCC-DFTB methods are found to underestimate the water dimer interaction energy, resulting in a low heat of vaporization and a significantly elevated water oxygen diffusion coefficient as compared to experiment. The addition of an excess hydrated proton to the bulk water resulted in the Zundel cation (H(5)O(2)(+)) stabilized species being the stable form of the charge defect, which

  18. Plasma confinement during ECR heating with a volume power density of 3 mW/m3 at the L-2M stellarator

    Science.gov (United States)

    Meshcheryakov, A. I.; Batanov, G. M.; Borzosekov, V. D.; Grebenshchikov, S. E.; Grishina, I. A.; Kharchev, N. K.; Kholnov, Yu V.; Kolik, L. V.; Konchekov, E. M.; Kovrizhnykh, L. M.; Letunov, A. A.; Logvinenko, V. P.; Malakhov, D. V.; Petrov, A. E.; Sarksyan, K. A.; Shchepetov, S. V.; Skvortsova, N. N.; Stepakhin, V. D.; Tereshchenko, M. A.; Vafin, I. Yu; Vasilkov, D. G.

    2017-10-01

    The experiments on ECR plasma heating were carried out at the L-2M stellarator at very high volume power density (up to 3.0 MW/m3). Under these conditions, non-monotonous hollow density profiles were measured. At the maximum heating power of P = 0.75 MW, the concavity in the axial region becomes drastic n e(0)/n e max = 0.5. In these experiments, plasma temperature profiles measured in the axial plasma region r/a p stellarator. The measured energy lifetime is generally consistent with that determined from the international LHD scaling.

  19. Centrality evolution of the charged-particle pseudorapidity density over a broad pseudorapidity range in Pb–Pb collisions at sNN=2.76 TeV

    Directory of Open Access Journals (Sweden)

    J. Adam

    2016-03-01

    Full Text Available The centrality dependence of the charged-particle pseudorapidity density measured with ALICE in Pb–Pb collisions at sNN=2.76 TeV over a broad pseudorapidity range is presented. This Letter extends the previous results reported by ALICE to more peripheral collisions. No strong change of the overall shape of charged-particle pseudorapidity density distributions with centrality is observed, and when normalised to the number of participating nucleons in the collisions, the evolution over pseudorapidity with centrality is likewise small. The broad pseudorapidity range (−3.5<η<5 allows precise estimates of the total number of produced charged particles which we find to range from 162±22(syst. to 17170±770(syst. in 80–90% and 0–5% central collisions, respectively. The total charged-particle multiplicity is seen to approximately scale with the number of participating nucleons in the collision. This suggests that hard contributions to the charged-particle multiplicity are limited. The results are compared to models which describe dNch/dη at mid-rapidity in the most central Pb–Pb collisions and it is found that these models do not capture all features of the distributions.

  20. DETAILED MODELLING OF CHARGING BEHAVIOUR OF SMART SOLAR TANKS

    DEFF Research Database (Denmark)

    Fan, Jianhua; Andersen, Elsa; Furbo, Simon

    2010-01-01

    The charging behaviour of smart solar tanks for solar combisystems for one-family houses is investigated with detailed Computational Fluid Dynamics (CFD) modelling and Particle Image Velocimetry (PIV) measurements. The smart solar tank can be charged with a variable auxiliary volume fitted...... or by an electric heating element in a side-arm mounted on the side of the tank. Detailed CFD models of the smart tanks are built with different mesh densities in the tank and in the side-arm. The thermal conditions of the tank during charging are calculated with the CFD models. The fluid flow and temperature...

  1. First-principles Study of Charge Density Waves and Electron-phonon Coupling in Transition Metal Dichalcogenides, and Magnetism of Surface Adatoms

    Science.gov (United States)

    Albertini, Oliver Ruben

    Recently, low-dimensional materials have attracted great attention, not only because of novel physics, but also because of potential applications in electronic devices, where performance drives innovation. This thesis presents theoretical and computational studies of magnetic adatoms on surfaces and of charge density wave (CDW) phases in two-dimensional materials. We investigate the structural, electronic, and magnetic properties of Ni adatoms on an MgO/Ag(100) surface. Using density functional theory, we find that strong bonding is detrimental to the magnetic moment of an atom adsorbed on a surface. Previously, it was shown that Co retains its full gas-phase magnetic moment on the MgO/Ag(100) surface. For Ni we find the total value of spin depends strongly on the binding site, and there are two sites close in energy. Next, we study the 1T polymorph of the transition metal dichalcogenide TaS2. Bulk 1T-TaS2 is metallic at high temperatures, but adopts an insulating commensurate CDW below 180 K. The nature of the transition is under debate, and it is unclear whether the transition persists down to a monolayer. Transport and Raman measurements suggest that the commensurate CDW is absent in samples thinner than 10 layers. Our theoretical and experimental study of the vibrational properties of 1 T-TaS2 demonstrates that the commensurate CDW is robust upon thinning -- even down to a single layer. Bulk 2H-TaS2 also has a CDW instability at low temperatures. A recent study of a single layer of 1H-TaS 2 grown on Au(111) revealed that the CDW phase is suppressed down to temperatures well below the bulk transition temperature (75 K), possibly due to electron doping from the substrate. We present a first-principles study of the effects of electron doping on the CDW instability in monolayer 1 H-TaS2, finding that electron doping: 1) shifts the electronic bands by 0.1 eV; 2) impacts the strength and wave vector dependence of electron-phonon coupling in the system, suppressing

  2. IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil

    Science.gov (United States)

    Singh, J. S.

    2014-09-01

    Infrared (IR) and Raman spectra of uracil and 5-aminouracil have been recorded and analyzed between the region 200-4000 cm-1. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Using the Becke’s exchange in conjunction with Lee-Yang-Parr’s correlation functional and Becke’s three-parameter hybrid method (B3LYP), the ab initio and DFT calculations were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-aminouracil by employing Gaussian-03 program. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. In quantum chemical calculations, the most of B3LYP/6-311++G** vibrational frequencies are in the excellent agreement with available experimental assignments and helped in the reassignments of some fundamental vibrational modes. On the basis of calculated results, the assignments of some missing frequencies in the experimental study are proposed. Assuming under the Cs point group for both molecules, the distribution of normal mode of vibrations between the two species as planar (a‧) and non-planar (a″) are given by 25a‧ + 11a″, of which 30 modes (21a‧ + 9a″) correspond to the uracil moiety and 6 modes (4a‧ + 2a″) to the NH2 group. Kekule ring stretching mode is found to be comparatively higher frequency magnitude than the mode of uracil due to the involvement of hydrogen bonding of amino group. But, the ring breathing is found to be lower frequency magnitude compared to those for uracil which could be due to mass effect of the NH2 group in place of the hydrogen atom. All other bands have also been assigned different fundamentals/overtones/combinations.

  3. Induced Charge Capacitive Deionization

    CERN Document Server

    Rubin, S; Biesheuvel, P M; Bercovici, M

    2016-01-01

    We demonstrate the phenomenon of induced-charge capacitive deionization (ICCDI) that occurs around a porous and conducting particle immersed in an electrolyte, under the action of an external electrostatic field. The external electric field induces an electric dipole in the porous particle, leading to capacitive charging of its volume by both cations and anions at opposite poles. This regime is characterized both by a large RC charging time and a small electrochemical charge relaxation time, which leads to rapid and significant deionization of ionic species from a volume which is on the scale of the particle. We show by theory and experiment that the transient response around a cylindrical particle results in spatially non-uniform charging and non-steady growth of depletion regions which emerge around the particle's poles. Potentially, ICCDI can be useful in applications where fast concentration changes of ionic species are required over large volumes.

  4. Greater Volume but not Higher Density of Abdominal Aortic Calcium Is Associated With Increased Cardiovascular Disease Risk: MESA (Multi-Ethnic Study of Atherosclerosis).

    Science.gov (United States)

    Forbang, Nketi I; Michos, Erin D; McClelland, Robyn L; Remigio-Baker, Rosemay A; Allison, Matthew A; Sandfort, Veit; Ix, Joachim H; Thomas, Isac; Rifkin, Dena E; Criqui, Michael H

    2016-11-01

    Abdominal aortic calcium (AAC) and coronary artery calcium (CAC) independently and similarly predict cardiovascular disease (CVD) events. The standard AAC and CAC score, the Agatston method, upweights for greater calcium density, thereby modeling higher calcium density as a CVD hazard. Computed tomography scans were used to measure AAC and CAC volume and density in a multiethnic cohort of community-dwelling individuals, and Cox proportional hazard was used to determine their independent association with incident coronary heart disease (CHD, defined as myocardial infarction, resuscitated cardiac arrest, or CHD death), cardiovascular disease (CVD, defined as CHD plus stroke and stroke death), and all-cause mortality. In 997 participants with Agatston AAC and CAC scores >0, the mean age was 66±9 years, and 58% were men. During an average follow-up of 9 years, there were 77 CHD, 118 CVD, and 169 all-cause mortality events. In mutually adjusted models, additionally adjusted for CVD risk factors, an increase in ln(AAC volume) per standard deviation was significantly associated with increased all-cause mortality (hazard ratio=1.20; 95% confidence interval, 1.08-1.33; P<0.01) and an increased ln(CAC volume) per standard deviation was significantly associated with CHD (hazard ratio=1.17; 95% confidence interval, 1.04-1.59; P=0.02) and CVD (hazard ratio=1.20; 95% confidence interval, 1.05-1.36; P<0.01). In contrast, both AAC and CAC density were not significantly associated with CVD events. The Agatston method of upweighting calcium scores for greater density may be inappropriate for CVD risk prediction in both the abdominal aorta and coronary arteries. © 2016 American Heart Association, Inc.

  5. Positive association of vigorous and moderate physical activity volumes with skeletal muscle mass but not bone density or metabolism markers in hemodialysis patients.

    Science.gov (United States)

    Morishita, Yoshiyuki; Kubo, Kazuya; Miki, Atushi; Ishibashi, Kenichi; Kusano, Eiji; Nagata, Daisuke

    2014-03-01

    To determine whether vigorous and moderate physical activity volumes are associated with skeletal muscle loss and chronic kidney disease-mineral and bone disorder (CKD-MBD) in hemodialysis (HD) patients. Skeletal muscle index (SMI) was measured using a bioelectrical impedance plethysmograph, and grip strength using a hand dynamometer, in 32 HD patients and 16 healthy controls. In HD patients, bone density was measured using digital image processing, and serum bone metabolism markers were measured as surrogate markers for CKD-MBD. Vigorous and moderate physical activity volumes of HD patients were measured using an activity monitor for 1 week, and associations between vigorous and moderate physical activity volumes and SMI, grip strength, and surrogate markers for CKD-MBD were investigated. SMI of HD patients (4.60 ± 0.98 kg/m(2)) was significantly lower than that of controls (5.55 ± 0.80 kg/m(2), p Grip strength of HD patients (19.9 ± 7.74 kg) was also significantly lower than that of controls (33.0 ± 8.94 kg, p grip strength (β = 0.231, p = 0131) after adjustment for age, sex, and HD duration. They were not associated with bone density (β = 0.106, p = 0.470) or any markers of bone metabolism. Vigorous and moderate physical activity volumes were positively associated with skeletal muscle mass but not skeletal muscle strength or surrogate markers for CKD-MBD.

  6. Moving pointlike charges and electric and magnetic dipoles

    Science.gov (United States)

    Ribarič, Marijan; Šušteršič, Luka

    1992-06-01

    Expansions of the volume integrals of strongly localized, continuous, differentiable electric charge and current densities are introduced in terms of the total charge, and variable and moving electric and magnetic dipoles, and conditions under which such expansions are applicable are determined. To enhance an understanding of the effects of external electromagnetic fields acting on very localized densities of electric charges and currents, the resulting Lorentz force, torque, and power are computed by using such expansions. To show how versatile variable and moving dipoles are for building physical models, the following are considered: (a) energy conversions by electric motors, by dielectric and induction heating, and by the magnetic drag force, and (b) relativistic effects in translational movements of steady electric and magnetic dipoles; in particular, the torque on a magnetic dipole moving parallel to a line carrying a steady current and uniformly distributed electric charges.

  7. X-ray diffraction observations of a charge-density-wave order in superconducting ortho-II YBa2Cu3O6.54 single crystals in zero magnetic field

    DEFF Research Database (Denmark)

    Blackburn, E.; Chang, J.; Hücker, M.

    2013-01-01

    X-ray diffraction measurements show that the high-temperature superconductor YBa2Cu3O6.54, with ortho-II oxygen order, has charge-density-wave order in the absence of an applied magnetic field. The dominant wave vector of the charge density wave is qCDW=(0,0.328(2),0.5), with the in-plane component...... parallel to the b axis (chain direction). It has a similar incommensurability to that observed in ortho-VIII and ortho-III samples, which have different dopings and oxygen orderings. Our results for ortho-II contrast with recent high-field NMR measurements, which suggest a commensurate wave vector along...

  8. Direct observation of competition between superconductivity and charge density wave order in YBa2Cu3O6.67

    DEFF Research Database (Denmark)

    Chang, J.; Blackburn, E.; Holmes, A. T.

    2012-01-01

    Superconductivity often emerges in the proximity of, or in competition with, symmetry-breaking ground states such as antiferromagnetism or charge density waves (CDW). A number of materials in the cuprate family, which includes the high transition-temperature (high-Tc) superconductors, show spin a...... scales, and the high-Tc superconductivity forms from a pre-existing CDW environment. Our results provide a mechanism for the formation of small Fermi surface pockets, which explain the negative Hall and Seebeck effects and the ‘Tc plateau’ in this material when underdoped.......Superconductivity often emerges in the proximity of, or in competition with, symmetry-breaking ground states such as antiferromagnetism or charge density waves (CDW). A number of materials in the cuprate family, which includes the high transition-temperature (high-Tc) superconductors, show spin...

  9. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine)

    Science.gov (United States)

    Singh, J. S.

    2015-02-01

    FT-IR (400-4000 cm-1) and Raman spectra (200-4000 cm-1) of uracil and 5-methyluracil (thymine) have been recorded and analyzed. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Using the Becke's exchange in conjunction with Lee-Yang-Parr's correlation functional and Becke's three-parameter hybrid method (B3LYP), the ab initio and DFT calculations were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-methyluracil (thymine) by employing Gaussian-03 program. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. In quantum chemical calculations, most of the B3LYP/6-311++G∗∗ vibrational frequencies are in excellent agreement with the available experimental assignments and helped to propose in the reassignments of some missing frequencies in experimental study. Assuming under the Cs point group for both molecules, the distribution of normal mode of vibrations between the two species as planar (a‧) and non-planar (a″) for all 39 normal vibrational modes of 5-methyluracil are given by 26a‧ + 13a″, of which 30 modes (21a‧ + 9a″) correspond to the uracil moiety and 9 modes (5a‧ + 4a″) to the CH3 group. Consistent assignments have been made for the internal modes of CH3 group, especially for the anti-symmetric CH3 stretching and bending modes. A possible explanation could be the planarity of pyrimidine ring and non-planarity at carbon site of methyl group which might cause the splitting of frequencies including three components due to the substitution of CH3 group at the site of C5 atom on pyrimidine ring of uracil. The three non-equivalent CH bonds of CH3

  10. Scanning Tunneling Microscopy and X-Ray Diffraction of Charge Density Wave Materials and the Rubidium Isotope Effect in Superconducting RUBIDIUM(3)CARBON(60)

    Science.gov (United States)

    Burk, Brian D.

    We image the surfaces of K_ {0.3}MoO_3 and Rb_{0.3}MoO_3 with scanning tunneling microscopy (STM) above and below the charge density wave (CDW) transition temperature (T_ p). Surprisingly, below T_ p real space and Fourier transformed images show no evidence of CDW modulation, suggesting a relatively small CDW amplitude at the sample surface. Furthermore, the lattice images that we obtained below T_ p are unaffected by the sliding of the CDW. With STM and x-ray diffraction we investigate the CDW domain structure of 1T-TaS_2 in the nearly commensurate (NC), triclinic (T), and incommensurate (I) phases. Fourier transformed STM images of the NC phase show fine satellite structure surrounding CDW peaks. The satellite structure confirms that the apparent domain-like modulation seen in real space images results from a true domain structure rather than from a moire pattern. STM images of the T phase indicate a surface striped domain pattern that is contrary to the previously reported stretched -honeycomb domain structure for the crystal bulk. In the T phase our x-ray diffraction measurements of CDW wave vectors and examination of fine satellite structure surrounding CDW peaks conclusively demonstrate that the bulk domain pattern is striped. We find that the bulk and surface domain structures are identical. X-ray diffraction of the I phase reveals weak satellites near CDW peaks. The satellite structure indicates a short wavelength, periodic amplitude and phase modulation of the CDW in a case where the CDW is far from commensurability. We measure the resistive superconducting transition temperature in C_{60} single crystals intercalated with isotopically pure ^{87}Rb and ^{85 }Rb and with natural abundance rubidium. We obtain a rubidium isotope effect exponent of alpha_{Rb} = -0.028 +/- 0.036, a result which implies that the Rb-C_ {60} optic phonons play at most a minor role in the pairing mechanism of Rb_3C _{60}..

  11. A Quantitative Analysis of Light-Driven Charge Transfer Processes Using Voronoi Partitioning of Time Dependent DFT-Derived Electron Densities

    NARCIS (Netherlands)

    Rombouts, J.A.; Ehlers, A.W.; Lammertsma, K.

    2017-01-01

    An analytical method is presented that provides quantitative insight into light-driven electron density rearrangement using the output of standard time-dependent density functional theory (TD-DFT) computations on molecular compounds. Using final and initial electron densities for photochemical

  12. 3D CT cerebral angiography technique using a 320-detector machine with a time-density curve and low contrast medium volume: comparison with fixed time delay technique.

    Science.gov (United States)

    Das, K; Biswas, S; Roughley, S; Bhojak, M; Niven, S

    2014-03-01

    To describe a cerebral computed tomography angiography (CTA) technique using a 320-detector CT machine and a small contrast medium volume (35 ml, 15 ml for test bolus). Also, to compare the quality of these images with that of the images acquired using a larger contrast medium volume (90 or 120 ml) and a fixed time delay (FTD) of 18 s using a 16-detector CT machine. Cerebral CTA images were acquired using a 320-detector machine by synchronizing the scanning time with the time of peak enhancement as determined from the time-density curve (TDC) using a test bolus dose. The quality of CTA images acquired using this technique was compared with that obtained using a FTD of 18 s (by 16-detector CT), retrospectively. Average densities in four different intracranial arteries, overall opacification of arteries, and the degree of venous contamination were graded and compared. Thirty-eight patients were scanned using the TDC technique and 40 patients using the FTD technique. The arterial densities achieved by the TDC technique were higher (significant for supraclinoid and basilar arteries, p machine by coupling the time of data acquisition with the time of peak enhancement. Copyright © 2013 The Royal College of Radiologists. Published by Elsevier Ltd. All rights reserved.

  13. Volume-translated cubic EoS and PC-SAFT density models and a free volume-based viscosity model for hydrocarbons at extreme temperature and pressure conditions

    Energy Technology Data Exchange (ETDEWEB)

    Burgess, Ward A.; Tapriyal, Deepak; Morreale, Bryan D.; Soong, Yee; Baled, Hseen O.; Enick, Robert M.; Wu, Yue; Bamgbade, Babatunde A.; McHugh, Mark A.

    2013-12-01

    This research focuses on providing the petroleum reservoir engineering community with robust models of hydrocarbon density and viscosity at the extreme temperature and pressure conditions (up to 533 K and 276 MPa, respectively) characteristic of ultra-deep reservoirs, such as those associated with the deepwater wells in the Gulf of Mexico. Our strategy is to base the volume-translated (VT) Peng–Robinson (PR) and Soave–Redlich–Kwong (SRK) cubic equations of state (EoSs) and perturbed-chain, statistical associating fluid theory (PC-SAFT) on an extensive data base of high temperature (278–533 K), high pressure (6.9–276 MPa) density rather than fitting the models to low pressure saturated liquid density data. This high-temperature, high-pressure (HTHP) data base consists of literature data for hydrocarbons ranging from methane to C{sub 40}. The three new models developed in this work, HTHP VT-PR EoS, HTHP VT-SRK EoS, and hybrid PC-SAFT, yield mean absolute percent deviation values (MAPD) for HTHP hydrocarbon density of ~2.0%, ~1.5%, and <1.0%, respectively. An effort was also made to provide accurate hydrocarbon viscosity models based on literature data. Viscosity values are estimated with the frictional theory (f-theory) and free volume (FV) theory of viscosity. The best results were obtained when the PC-SAFT equation was used to obtain both the attractive and repulsive pressure inputs to f-theory, and the density input to FV theory. Both viscosity models provide accurate results at pressures to 100 MPa but experimental and model results can deviate by more than 25% at pressures above 200 MPa.

  14. Enabling fast charging - Battery thermal considerations

    Science.gov (United States)

    Keyser, Matthew; Pesaran, Ahmad; Li, Qibo; Santhanagopalan, Shriram; Smith, Kandler; Wood, Eric; Ahmed, Shabbir; Bloom, Ira; Dufek, Eric; Shirk, Matthew; Meintz, Andrew; Kreuzer, Cory; Michelbacher, Christopher; Burnham, Andrew; Stephens, Thomas; Francfort, James; Carlson, Barney; Zhang, Jiucai; Vijayagopal, Ram; Hardy, Keith; Dias, Fernando; Mohanpurkar, Manish; Scoffield, Don; Jansen, Andrew N.; Tanim, Tanvir; Markel, Anthony

    2017-11-01

    Battery thermal barriers are reviewed with regards to extreme fast charging. Present-day thermal management systems for battery electric vehicles are inadequate in limiting the maximum temperature rise of the battery during extreme fast charging. If the battery thermal management system is not designed correctly, the temperature of the cells could reach abuse temperatures and potentially send the cells into thermal runaway. Furthermore, the cell and battery interconnect design needs to be improved to meet the lifetime expectations of the consumer. Each of these aspects is explored and addressed as well as outlining where the heat is generated in a cell, the efficiencies of power and energy cells, and what type of battery thermal management solutions are available in today's market. Thermal management is not a limiting condition with regard to extreme fast charging, but many factors need to be addressed especially for future high specific energy density cells to meet U.S. Department of Energy cost and volume goals.

  15. The multiple conformational charge states of zinc(II) coordination by 2His-2Cys oligopeptide investigated by ion mobility-mass spectrometry, density functional theory and theoretical collision cross sections.

    Science.gov (United States)

    Wagoner, Stephanie M; Deeconda, Manogna; Cumpian, Kayleah L; Ortiz, Rafael; Chinthala, Swetha; Angel, Laurence A

    2016-12-01

    Whether traveling wave ion mobility-mass spectrometry (IM-MS), B3LYP/LanL2DZ density functional theory, and ion size scaled Lennard-Jones (LJ) collision cross sections (CCS) from the B3LYP optimized structures could be used to determine the type of Zn(II) coordination by the oligopeptide acetyl-His1 -Cys2 -Gly3 -Pro4 -Tyr5 -His6 -Cys7 (amb5 ) was investigated. The IM-MS analyses of a pH titration of molar equivalents of Zn(II):amb5 showed that both negatively and positively charged complexes formed and coordination of Zn(II) increased as the His and Cys deprotonated near their pKa values. The B3LYP method was used to generate a series of alternative coordination structures to compare with the experimental results. The method predicted that the single negatively charged complex coordinated Zn(II) in a distorted tetrahedral geometry via the 2His-2Cys substituent groups, whereas, the double negatively charged and positively charged complexes coordinated Zn(II) via His, carbonyl oxygens and the C-terminus. The CCS of the B3LYP complexes were calculated using the LJ method and compared with those measured by IM-MS for the various charge state complexes. The LJ method provided CCS that agreed with five of the alternative distorted tetrahedral and trigonal bipyramidal coordinations for the doubly charged complexes, but provided CCS that were 15 to 31 Å2 larger than those measured by IM-MS for the singly charged complexes. Collision-induced dissociation of the Zn(II) complexes and a further pH titration study of amb5B , which included amidation of the C-terminus, suggested that the 2His-2Cys coordination was more significant than coordinations that included the C-terminus. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  16. The interstitial nuclei of the human anterior hypothalamus: an investigation of sexual variation in volume and cell size, number and density.

    Science.gov (United States)

    Byne, W; Lasco, M S; Kemether, E; Shinwari, A; Edgar, M A; Morgello, S; Jones, L B; Tobet, S

    2000-02-21

    The four interstitial nuclei of the anterior hypothalamus (INAH) have been considered as candidate human nuclei for homology with the much studied sexually dimorphic nucleus of the preoptic area of the rat. Assessment of the INAH for sexual dimorphism has produced discrepant results. This study reports the first systematic examination of all four INAH in the human for sexual variation in volume, neuronal number and neuronal size. Serial Nissl-stained coronal sections through the medial preoptic area and anterior hypothalamus were examined from 18 males and 20 females who died between the ages of 17 and 65 without evidence of hypothalamic pathology or infection with the human immunodeficiency virus. A computer-assisted image-analysis system and commercial stereology software package were employed to assess total volume, neuronal number and mean neuronal size for each INAH. INAH3 occupied a significantly greater volume and contained significantly more neurons in males than in females. No sex differences in volume were detected for any of the other INAH. No sexual variation in neuronal size or packing density was observed in any nucleus. The present data corroborate two previous reports of sexual dimorphism of INAH3 but provide no support for previous reports of sexual variation in other INAH.

  17. Ventilatory protective strategies during thoracic surgery: effects of alveolar recruitment maneuver and low-tidal volume ventilation on lung density distribution.

    Science.gov (United States)

    Kozian, Alf; Schilling, Thomas; Schütze, Hartmut; Senturk, Mert; Hachenberg, Thomas; Hedenstierna, Göran

    2011-05-01

    The increased tidal volume (V(T)) applied to the ventilated lung during one-lung ventilation (OLV) enhances cyclic alveolar recruitment and mechanical stress. It is unknown whether alveolar recruitment maneuvers (ARMs) and reduced V(T) may influence tidal recruitment and lung density. Therefore, the effects of ARM and OLV with different V(T) on pulmonary gas/tissue distribution are examined. Eight anesthetized piglets were mechanically ventilated (V(T) = 10 ml/kg). A defined ARM was applied to the whole lung (40 cm H(2)O for 10 s). Spiral computed tomographic lung scans were acquired before and after ARM. Thereafter, the lungs were separated with an endobronchial blocker. The pigs were randomized to receive OLV in the dependent lung with a V(T) of either 5 or 10 ml/kg. Computed tomography was repeated during and after OLV. The voxels were categorized by density intervals (i.e., atelectasis, poorly aerated, normally aerated, or overaerated). Tidal recruitment was defined as the addition of gas to collapsed lung regions. The dependent lung contained atelectatic (56 ± 10 ml), poorly aerated (183 ± 10 ml), and normally aerated (187 ± 29 ml) regions before ARM. After ARM, lung volume and aeration increased (426 ± 35 vs. 526 ± 69 ml). Respiratory compliance enhanced, and tidal recruitment decreased (95% vs. 79% of the whole end-expiratory lung volume). OLV with 10 ml/kg further increased aeration (atelectasis, 15 ± 2 ml; poorly aerated, 94 ± 24 ml; normally aerated, 580 ± 98 ml) and tidal recruitment (81% of the dependent lung). OLV with 5 ml/kg did not affect tidal recruitment or lung density distribution. (Data are given as mean ± SD.) The ARM improves aeration and respiratory mechanics. In contrast to OLV with high V(T), OLV with reduced V(T) does not reinforce tidal recruitment, indicating decreased mechanical stress.

  18. Diagnosis of drowning using post-mortem computed tomography based on the volume and density of fluid accumulation in the maxillary and sphenoid sinuses

    Energy Technology Data Exchange (ETDEWEB)

    Kawasumi, Yusuke, E-mail: ssu@rad.med.tohoku.ac.jp [Tohoku University Graduate School of Medicine, Department of Clinical Imaging, 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8575 (Japan); Kawabata, Tomoyoshi; Sugai, Yusuke [Tohoku University Graduate School of Medicine, Department of Clinical Imaging, 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8575 (Japan); Usui, Akihito, E-mail: t7402r0506@med.tohoku.ac.jp [Tohoku University Graduate School of Medicine, Department of Diagnostic Image Analysis, 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8575 (Japan); Hosokai, Yoshiyuki, E-mail: hosokai@med.tohoku.ac.jp [Tohoku University Graduate School of Medicine, Department of Diagnostic Image Analysis, 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8575 (Japan); Sato, Miho, E-mail: meifan58@m.tains.tohoku.ac.jp [Tohoku University Graduate School of Medicine, Department of Clinical Imaging, 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8575 (Japan); Saito, Haruo, E-mail: hsaito@med.tohoku.ac.jp [Tohoku University Graduate School of Medicine, Department of Diagnostic Image Analysis, 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8575 (Japan); Ishibashi, Tadashi, E-mail: tisibasi@med.tohoku.ac.jp [Tohoku University Graduate School of Medicine, Department of Clinical Imaging, 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8575 (Japan); Hayashizaki, Yoshie, E-mail: yoshie@forensic.med.tohoku.ac.jp [Tohoku University Graduate School of Medicine, Department of Forensic Medicine, 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8575 (Japan); Funayama, Masato, E-mail: funayama@forensic.med.tohoku.ac.jp [Tohoku University Graduate School of Medicine, Department of Forensic Medicine, 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8575 (Japan)

    2013-10-01

    Recent studies have reported that drowning victims frequently have fluid accumulation in the paranasal sinuses, most notably the maxillary and sphenoid sinuses. However, in our previous study, many non-drowning victims also had fluid accumulation in the sinuses. Therefore, we evaluated the qualitative difference in fluid accumulation between drowning and non-drowning cases in the present study. Thirty-eight drowning and 73 non-drowning cases were investigated retrospectively. The fluid volume and density of each case were calculated using a DICOM workstation. The drowning cases were compared with the non-drowning cases using the Mann–Whitney U-test because the data showed non-normal distribution. The median fluid volume was 1.82 (range 0.02–11.7) ml in the drowning cases and 0.49 (0.03–8.7) ml in the non-drowning cases, and the median fluid density was 22 (−14 to 66) and 39 (−65 to 77) HU, respectively. Both volume and density differed significantly between the drowning and non-drowning cases (p = 0.001, p = 0.0007). Regarding cut-off levels in the ROC analysis, the points on the ROC curve closest (0, 1) were 1.03 ml (sensitivity 68%, specificity 68%, PPV 53%, NPV 81%) and 27.5 HU (61%, 70%, 51%, 77%). The Youden indices were 1.03 ml and 37.8 HU (84%, 51%, 47%, 86%). When the cut-off level was set at 1.03 ml and 27.5 HU, the sensitivity was 42%, specificity 45%, PPV 29% and NPV 60%. When the cut-off level was set at 1.03 ml and 37.8 HU, sensitivity was 58%, specificity 32%, PPV 31% and NPV 59%.

  19. Effect of artificial rearing of piglets on the volume densities of M cells in the tonsils of the soft palate and ileal Peyer's patches.

    Science.gov (United States)

    Prims, S; Pintens, N; Vergauwen, H; Van Cruchten, S; Van Ginneken, C; Casteleyn, C

    2017-02-01

    The high prolificacy of modern hybrid sows has increased the mean litter size during the last decades. However, rearing large litters is challenging and has increased the use of alternative management strategies such as euthanasia of weak piglets, cross-fostering, supplementing piglets with milk, split-nursing and split-weaning. The latter includes artificial rearing on brooders where piglets have ad libitum access to milk replacer. The effect of this artificial rearing on the immune system of the piglet is the subject of various studies. The present study focused on the M cells in the tonsil of the soft palate and in the ileal Peyer's patch (iPP). These epithelial cells are specialized in antigen sampling and play a pivotal role in the induction of adaptive immune responses. The volume densities of the M cells were assessed by stereological analysis of tissue samples from piglets of 0, 3, 8 and 19days of age. During the first three days, piglets suckled the sow, permitting them to ingest colostrum. At the third day, the piglets were either allowed to continue to suckle the sow or were transferred to brooders. The six experimental groups, each containing six piglets, thus consisted of newborn piglets, 3-day-old sow-suckled piglets, and conventionally and artificially reared piglets of 8 and 19days of age. To identify M cells, tissue samples were immersed in 4% phosphate-buffered paraformaldehyde and paraffin sections were immunohistochemically stained against cytokeratin 18. The volume densities of M cells in both the crypt epithelium of the tonsils of the soft palate and the follicle-associated epithelium of the iPPs did not show any difference between the various age groups of conventionally reared piglets. However, values were twice as high in the iPPs compared to the tonsils of the soft palate. In contrast, a decrease in volume densities of M cells was observed in the iPPs of piglets after they had been transferred to commercial brooders (P=0.05), resulting in

  20. Influence of Humidity, Volume Density, and MgO Impurity on Mg2Si Thermoelectric-Leg

    Science.gov (United States)

    Mito, Y.; Ogino, A.; Konno, S.; Udono, H.

    2017-05-01

    We have studied the influence of humidity on the production yield of Mg2Si thermoelectric (TE)-legs synthesized by spark plasma sintering (SPS) and also the influence of sintered density and MgO impurity on the oxidation resistance of the Mg2Si sintered compacts. We observed a strong correlation between the humidity in air atmosphere and the yield rate of Mg2Si TE-legs. The Mg2Si TE-legs sintered from the raw material powder that was exposed to an atmosphere with humidity >60% contained relatively high density of voids and cracks due to the reaction of adsorbed moisture and Mg2Si during SPS. We found that the Mg2Si sintered density strongly affected the oxidation resistance, whereas a small amount of MgO concentration in the initial sintered compacts had no significant effect on the oxidation resistance. Sb-doped Mg2Si with a high sintered density showed an excellent oxidation resistance in air atmosphere when subjected to an oxidation-resistance test at 600°C for 800 h, which is presumed to be due to the formation of a dense MgO layer on the surface.

  1. Characterization of Aluminum Honeycomb and Experimentation for Model Development and Validation, Volume I: Discovery and Characterization Experiments for High-Density Aluminum Honeycomb

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Wei-Yang [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Mechanics of Materials; Korellis, John S. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Mechanics of Materials; Lee, Kenneth L. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Mechanics of Materials; Scheffel, Simon [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Mechanics of Materials; Hinnerichs, Terry Dean [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Solid Mechanics; Neilsen, Michael K. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Applied Mechanics Development; Scherzinger, William Mark [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Solid Mechanics

    2006-08-01

    Honeycomb is a structure that consists of two-dimensional regular arrays of open cells. High-density aluminum honeycomb has been used in weapon assemblies to mitigate shock and protect payload because of its excellent crush properties. In order to use honeycomb efficiently and to certify the payload is protected by the honeycomb under various loading conditions, a validated honeycomb crush model is required and the mechanical properties of the honeycombs need to be fully characterized. Volume I of this report documents an experimental study of the crush behavior of high-density honeycombs. Two sets of honeycombs were included in this investigation: commercial grade for initial exploratory experiments, and weapon grade, which satisfied B61 specifications. This investigation also includes developing proper experimental methods for crush characterization, conducting discovery experiments to explore crush behaviors for model improvement, and identifying experimental and material uncertainties.

  2. Anomalous atomic volume of alpha-Pu

    DEFF Research Database (Denmark)

    Kollar, J.; Vitos, Levente; Skriver, Hans Lomholt

    1997-01-01

    We have performed full charge-density calculations for the equilibrium atomic volumes of the alpha-phase light actinide metals using the local density approximation (LDA) and the generalized gradient approximation (GGA). The average deviation between the experimental and the GGA atomic radii is 1.......3%. The comparison between the LDA and GGA results show that the anomalously large atomic volume of alpha-Pu relative to alpha-Np can be ascribed to exchange-correlation effects connected with the presence of low coordinated sites in the structure where the f electrons are close to the onset of localization...

  3. ASRDI oxygen technology survey. Volume 5: Density and liquid level measurement instrumentation for the cryogenic fluids oxygen, hydrogen, and nitrogen

    Science.gov (United States)

    Roder, H. M.

    1974-01-01

    Information is presented on instrumentation for density measurement, liquid level measurement, quantity gauging, and phase measurement. Coverage of existing information directly concerned with oxygen was given primary emphasis. A description of the physical principle of measurement for each instrumentation type is included. The basic materials of construction are listed if available from the source document for each instrument discussed. Cleaning requirements, procedures, and verification techniques are included.

  4. Electronic hole transfer in rutile and anatase TiO2: Effect of a delocalization error in the density functional theory on the charge transfer barrier height

    DEFF Research Database (Denmark)

    Zawadzki, Pawel; Rossmeisl, Jan; Jacobsen, Karsten Wedel

    2011-01-01

    where charge localization is strongly coupled to lattice distortion. As an example we calculate the adiabatic PES for the hole transfer process in rutile and anatase TiO2. (Semi) local DFT leads to qualitatively wrong, barrierless curves. Removal of the nonlinearity improves the PES shape and allows us...

  5. Age-Related Effects and Sex Differences in Gray Matter Density, Volume, Mass, and Cortical Thickness from Childhood to Young Adulthood.

    Science.gov (United States)

    Gennatas, Efstathios D; Avants, Brian B; Wolf, Daniel H; Satterthwaite, Theodore D; Ruparel, Kosha; Ciric, Rastko; Hakonarson, Hakon; Gur, Raquel E; Gur, Ruben C

    2017-05-17

    Developmental structural neuroimaging studies in humans have long described decreases in gray matter volume (GMV) and cortical thickness (CT) during adolescence. Gray matter density (GMD), a measure often assumed to be highly related to volume, has not been systematically investigated in development. We used T1 imaging data collected on the Philadelphia Neurodevelopmental Cohort to study age-related effects and sex differences in four regional gray matter measures in 1189 youths ranging in age from 8 to 23 years. Custom T1 segmentation and a novel high-resolution gray matter parcellation were used to extract GMD, GMV, gray matter mass (GMM; defined as GMD × GMV), and CT from 1625 brain regions. Nonlinear models revealed that each modality exhibits unique age-related effects and sex differences. While GMV and CT generally decrease with age, GMD increases and shows the strongest age-related effects, while GMM shows a slight decline overall. Females have lower GMV but higher GMD than males throughout the brain. Our findings suggest that GMD is a prime phenotype for the assessment of brain development and likely cognition and that periadolescent gray matter loss may be less pronounced than previously thought. This work highlights the need for combined quantitative histological MRI studies.SIGNIFICANCE STATEMENT This study demonstrates that different MRI-derived gray matter measures show distinct age and sex effects and should not be considered equivalent but complementary. It is shown for the first time that gray matter density increases from childhood to young adulthood, in contrast with gray matter volume and cortical thickness, and that females, who are known to have lower gray matter volume than males, have higher density throughout the brain. A custom preprocessing pipeline and a novel high-resolution parcellation were created to analyze brain scans of 1189 youths collected as part of the Philadelphia Neurodevelopmental Cohort. A clear understanding of normal

  6. Charge Density Wave in the New Polymorphs of RE 2 Ru 3 Ge 5 ( RE = Pr, Sm, Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Calta, Nicholas P.; Sturza, Mihai; Krogstad, Matthew J.; Osborn, Raymond; Rosenkranz, Stephan; Ruff, Jacob P. C.; Trimarchi, Giancarlo; Bud’ko, Sergey L.; Balasubramanian, Mahalingam; Chung, Duck Young; Kanatzidis, Mercouri G.

    2017-02-16

    A new polymorph of the RE2Ru3Ge5 (RE = Pr, Sm, Dy) compounds has been grown as single crystals via an indium flux. These compounds crystallize in tetragonal space group P4/mnc with the Sc2Fe3Si5-type structure, having lattice parameters a = 11.020(2) Å and c = 5.853(1) Å for RE = Pr, a = 10.982(2) Å and c = 5.777(1) Å for RE = Sm, and a = 10.927(2) Å and c = 5.697(1) Å for RE = Dy. These materials exhibit a structural transition at low temperature, which is attributed to an apparent charge density wave (CDW). Both the high-temperature average crystal structure and the low-temperature incommensurately modulated crystal structure (for Sm2Ru3Ge5 as a representative) have been solved. The charge density wave order is manifested by periodic distortions of the onedimensional zigzag Ge chains. From X-ray diffraction, charge transport (electrical resistivity, Hall effect, magnetoresistance), magnetic measurements, and heat capacity, the ordering temperatures (TCDW) observed in the Pr and Sm analogues are ~200 and ~175 K, respectively. The charge transport measurement results indicate an electronic state transition happening simultaneously with the CDW transition. X-ray absorption near-edge spectroscopy (XANES) and electronic band structure results are also reported.

  7. Comparisons of bone volumes and densities relating to osseointegrated implants in microvascularly reconstructed mandibles: a study of cadaveric radius and fibula bones.

    Science.gov (United States)

    Klesper, B; Wahn, J; Koebke, J

    2000-04-01

    The study was designed to compare the dimensions and densities of two frequently used bone donor sites with regard to placement of endosseous dental implants in microvascularly reconstructed mandibles. A total of 40 radii and of 40 fibulae were investigated. Fifty two percent of the fibulae had adequate bone volume for the positioning of four 10 mm implants, while this figure was 55% for the radii. After using the 'double barrel' technique the placement of four 10 mm implants succeeded in 87% of all the fibulae. Due to the lack of bone length required, this special technique was not possible in the radii investigated. Cortical thickness and density of bone were higher in the radii when compared with the fibulae. In each bone the central and distal parts presented the highest values of cortical thickness and density. Although the radius offers enough substantial bone for implant placement in some cases this cannot be used for clinical purpose, as only hemicortical grafts can be obtained. Otherwise the resulting donor site morbidity would be intolerable. In conclusion, our results support the clinical experience that the fibula is today's 'work horse' donor site for reconstruction of the mandible.

  8. Lung density

    DEFF Research Database (Denmark)

    Garnett, E S; Webber, C E; Coates, G

    1977-01-01

    The density of a defined volume of the human lung can be measured in vivo by a new noninvasive technique. A beam of gamma-rays is directed at the lung and, by measuring the scattered gamma-rays, lung density is calculated. The density in the lower lobe of the right lung in normal man during quiet...... breathing in the sitting position ranged from 0.25 to 0.37 g.cm-3. Subnormal values were found in patients with emphsema. In patients with pulmonary congestion and edema, lung density values ranged from 0.33 to 0.93 g.cm-3. The lung density measurement correlated well with the findings in chest radiographs...... but the lung density values were more sensitive indices. This was particularly evident in serial observations of individual patients....

  9. Bone volume and regional density of the central tarsal bone detected using computed tomography in a cross-sectional study of adult racing greyhounds.

    Science.gov (United States)

    Thompson, D J; Cave, N J; Bridges, J P; Reuvers, K; Owen, M C; Firth, E C

    2012-09-01

    To determine whether left-to-right asymmetry of the central tarsal bone (CTB) of racing greyhounds was detectable using computed tomography (CT) in live dogs; to quantify the asymmetry in terms of average bone volume, volumetric bone mineral density (vBMD), and dorsal cortical shape, and to determine if age, gender, bodyweight, number of starts or history of tarsal injury were significant covariates. One trainer supplied 11 male and seven female, unrelated, skeletally mature, actively racing greyhounds, including dogs with a history of tarsal injury diagnosed by the trainer and/or track veterinarian (n=8), and dogs without a history of tarsal injury (n=10). Using CT, standardised parameters of the CTB were measured including volume and average vBMD of the left and right CTB, vBMD of regions within the CTB, and bone shape. There was no difference in the volumes of the left and right CTB and no association with number of racing starts. Volume of CTB in dogs with a history of tarsal injury was greater than in dogs with no history of injury (pracing greyhounds was detected using CT. Contrary to previous suggestions, the asymmetry was not associated with the number of racing starts. We propose that the majority of the adaptive modelling of the CTB occurred rapidly following the onset of counter-clockwise training, with little further modelling throughout the racing career of the dog, however further investigation is warranted. This study described a technique using CT for imaging the CTB in live dogs, which opens the way for a longitudinal study of bone modelling of the CTB in response to training and racing in a counter-clockwise direction.

  10. Measurement of charged particle multiplicities and densities in $pp$ collisions at $\\sqrt{s}$ = 7 TeV in the forward region

    CERN Document Server

    Aaij, Roel; Adinolfi, Marco; Affolder, Anthony; Ajaltouni, Ziad; Albrecht, Johannes; Alessio, Federico; Alexander, Michael; Ali, Suvayu; Alkhazov, Georgy; Alvarez Cartelle, Paula; Alves Jr, Antonio; Amato, Sandra; Amerio, Silvia; Amhis, Yasmine; Anderlini, Lucio; Anderson, Jonathan; Andreassen, Rolf; Andreotti, Mirco; Andrews, Jason; Appleby, Robert; Aquines Gutierrez, Osvaldo; Archilli, Flavio; Artamonov, Alexander; Artuso, Marina; Aslanides, Elie; Auriemma, Giulio; Baalouch, Marouen; Bachmann, Sebastian; Back, John; Badalov, Alexey; Balagura, Vladislav; Baldini, Wander; Barlow, Roger; Barschel, Colin; Barsuk, Sergey; Barter, William; Batozskaya, Varvara; Bauer, Thomas; Bay, Aurelio; Beddow, John; Bedeschi, Franco; Bediaga, Ignacio; Belogurov, Sergey; Belous, Konstantin; Belyaev, Ivan; Ben-Haim, Eli; Bencivenni, Giovanni; Benson, Sean; Benton, Jack; Berezhnoy, Alexander; Bernet, Roland; Bettler, Marc-Olivier; van Beuzekom, Martinus; Bien, Alexander; Bifani, Simone; Bird, Thomas; Bizzeti, Andrea; Bjørnstad, Pål Marius; Blake, Thomas; Blanc, Frédéric; Blouw, Johan; Blusk, Steven; Bocci, Valerio; Bondar, Alexander; Bondar, Nikolay; Bonivento, Walter; Borghi, Silvia; Borgia, Alessandra; Borsato, Martino; Bowcock, Themistocles; Bowen, Espen Eie; Bozzi, Concezio; Brambach, Tobias; van den Brand, Johannes; Bressieux, Joël; Brett, David; Britsch, Markward; Britton, Thomas; Brook, Nicholas; Brown, Henry; Bursche, Albert; Busetto, Giovanni; Buytaert, Jan; Cadeddu, Sandro; Calabrese, Roberto; Callot, Olivier; Calvi, Marta; Calvo Gomez, Miriam; Camboni, Alessandro; Campana, Pierluigi; Campora Perez, Daniel; Carbone, Angelo; Carboni, Giovanni; Cardinale, Roberta; Cardini, Alessandro; Carranza-Mejia, Hector; Carson, Laurence; Carvalho Akiba, Kazuyoshi; Casse, Gianluigi; Cassina, Lorenzo; Castillo Garcia, Lucia; Cattaneo, Marco; Cauet, Christophe; Cenci, Riccardo; Charles, Matthew; Charpentier, Philippe; Cheung, Shu-Faye; Chiapolini, Nicola; Chrzaszcz, Marcin; Ciba, Krzystof; Cid Vidal, Xabier; Ciezarek, Gregory; Clarke, Peter; Clemencic, Marco; Cliff, Harry; Closier, Joel; Coca, Cornelia; Coco, Victor; Cogan, Julien; Cogneras, Eric; Collins, Paula; Comerma-Montells, Albert; Contu, Andrea; Cook, Andrew; Coombes, Matthew; Coquereau, Samuel; Corti, Gloria; Counts, Ian; Couturier, Benjamin; Cowan, Greig; Craik, Daniel Charles; Cruz Torres, Melissa Maria; Cunliffe, Samuel; Currie, Robert; D'Ambrosio, Carmelo; Dalseno, Jeremy; David, Pascal; David, Pieter; Davis, Adam; De Bonis, Isabelle; De Bruyn, Kristof; De Capua, Stefano; De Cian, Michel; De Miranda, Jussara; De Paula, Leandro; De Silva, Weeraddana; De Simone, Patrizia; Decamp, Daniel; Deckenhoff, Mirko; Del Buono, Luigi; Déléage, Nicolas; Derkach, Denis; Deschamps, Olivier; Dettori, Francesco; Di Canto, Angelo; Dijkstra, Hans; Donleavy, Stephanie; Dordei, Francesca; Dorigo, Mirco; Dorosz, Piotr; Dosil Suárez, Alvaro; Dossett, David; Dovbnya, Anatoliy; Dupertuis, Frederic; Durante, Paolo; Dzhelyadin, Rustem; Dziurda, Agnieszka; Dzyuba, Alexey; Easo, Sajan; Egede, Ulrik; Egorychev, Victor; Eidelman, Semen; Eisenhardt, Stephan; Eitschberger, Ulrich; Ekelhof, Robert; Eklund, Lars; El Rifai, Ibrahim; Elsasser, Christian; Esen, Sevda; Falabella, Antonio; Färber, Christian; Farinelli, Chiara; Farry, Stephen; Ferguson, Dianne; Fernandez Albor, Victor; Ferreira Rodrigues, Fernando; Ferro-Luzzi, Massimiliano; Filippov, Sergey; Fiore, Marco; Fiorini, Massimiliano; Fitzpatrick, Conor; Fontana, Marianna; Fontanelli, Flavio; Forty, Roger; Francisco, Oscar; Frank, Markus; Frei, Christoph; Frosini, Maddalena; Fu, Jinlin; Furfaro, Emiliano; Gallas Torreira, Abraham; Galli, Domenico; Gandelman, Miriam; Gandini, Paolo; Gao, Yuanning; Garofoli, Justin; Garra Tico, Jordi; Garrido, Lluis; Gaspar, Clara; Gauld, Rhorry; Gavardi, Laura; Gersabeck, Evelina; Gersabeck, Marco; Gershon, Timothy; Ghez, Philippe; Gianelle, Alessio; Giani', Sebastiana; Gibson, Valerie; Giubega, Lavinia-Helena; Gligorov, Vladimir; Göbel, Carla; Golubkov, Dmitry; Golutvin, Andrey; Gomes, Alvaro; Gordon, Hamish; Grabalosa Gándara, Marc; Graciani Diaz, Ricardo; Granado Cardoso, Luis Alberto; Graugés, Eugeni; Graziani, Giacomo; Grecu, Alexandru; Greening, Edward; Gregson, Sam; Griffith, Peter; Grillo, Lucia; Grünberg, Oliver; Gui, Bin; Gushchin, Evgeny; Guz, Yury; Gys, Thierry; Hadjivasiliou, Christos; Haefeli, Guido; Haen, Christophe; Hafkenscheid, Tom; Haines, Susan; Hall, Samuel; Hamilton, Brian; Hampson, Thomas; Hansmann-Menzemer, Stephanie; Harnew, Neville; Harnew, Samuel; Harrison, Jonathan; Hartmann, Thomas; He, Jibo; Head, Timothy; Heijne, Veerle; Hennessy, Karol; Henrard, Pierre; Henry, Louis; Hernando Morata, Jose Angel; van Herwijnen, Eric; Heß, Miriam; Hicheur, Adlène; Hill, Donal; Hoballah, Mostafa; Hombach, Christoph; Hulsbergen, Wouter; Hunt, Philip; Hussain, Nazim; Hutchcroft, David; Hynds, Daniel; Iakovenko, Viktor; Idzik, Marek; Ilten, Philip; Jacobsson, Richard; Jaeger, Andreas; Jans, Eddy; Jaton, Pierre; Jawahery, Abolhassan; Jing, Fanfan; John, Malcolm; Johnson, Daniel; Jones, Christopher; Joram, Christian; Jost, Beat; Jurik, Nathan; Kaballo, Michael; Kandybei, Sergii; Kanso, Wallaa; Karacson, Matthias; Karbach, Moritz; Kelsey, Matthew; Kenyon, Ian; Ketel, Tjeerd; Khanji, Basem; Khurewathanakul, Chitsanu; Klaver, Suzanne; Kochebina, Olga; Komarov, Ilya; Koopman, Rose; Koppenburg, Patrick; Korolev, Mikhail; Kozlinskiy, Alexandr; Kravchuk, Leonid; Kreplin, Katharina; Kreps, Michal; Krocker, Georg; Krokovny, Pavel; Kruse, Florian; Kucharczyk, Marcin; Kudryavtsev, Vasily; Kurek, Krzysztof; Kvaratskheliya, Tengiz; La Thi, Viet Nga; Lacarrere, Daniel; Lafferty, George; Lai, Adriano; Lambert, Dean; Lambert, Robert W; Lanciotti, Elisa; Lanfranchi, Gaia; Langenbruch, Christoph; Latham, Thomas; Lazzeroni, Cristina; Le Gac, Renaud; van Leerdam, Jeroen; Lees, Jean-Pierre; Lefèvre, Regis; Leflat, Alexander; Lefrançois, Jacques; Leo, Sabato; Leroy, Olivier; Lesiak, Tadeusz; Leverington, Blake; Li, Yiming; Liles, Myfanwy; Lindner, Rolf; Linn, Christian; Lionetto, Federica; Liu, Bo; Liu, Guoming; Lohn, Stefan; Longstaff, Ian; Lopes, Jose; Lopez-March, Neus; Lowdon, Peter; Lu, Haiting; Lucchesi, Donatella; Luisier, Johan; Luo, Haofei; Luppi, Eleonora; Lupton, Oliver; Machefert, Frederic; Machikhiliyan, Irina V; Maciuc, Florin; Maev, Oleg; Malde, Sneha; Manca, Giulia; Mancinelli, Giampiero; Manzali, Matteo; Maratas, Jan; Marconi, Umberto; Marino, Pietro; Märki, Raphael; Marks, Jörg; Martellotti, Giuseppe; Martens, Aurelien; Martín Sánchez, Alexandra; Martinelli, Maurizio; Martinez Santos, Diego; Martinez Vidal, Fernando; Martins Tostes, Danielle; Massafferri, André; Matev, Rosen; Mathe, Zoltan; Matteuzzi, Clara; Mazurov, Alexander; McCann, Michael; McCarthy, James; McNab, Andrew; McNulty, Ronan; McSkelly, Ben; Meadows, Brian; Meier, Frank; Meissner, Marco; Merk, Marcel; Milanes, Diego Alejandro; Minard, Marie-Noelle; Molina Rodriguez, Josue; Monteil, Stephane; Moran, Dermot; Morandin, Mauro; Morawski, Piotr; Mordà, Alessandro; Morello, Michael Joseph; Mountain, Raymond; Muheim, Franz; Müller, Katharina; Muresan, Raluca; Muryn, Bogdan; Muster, Bastien; Naik, Paras; Nakada, Tatsuya; Nandakumar, Raja; Nasteva, Irina; Needham, Matthew; Neri, Nicola; Neubert, Sebastian; Neufeld, Niko; Nguyen, Anh Duc; Nguyen, Thi-Dung; Nguyen-Mau, Chung; Nicol, Michelle; Niess, Valentin; Niet, Ramon; Nikitin, Nikolay; Nikodem, Thomas; Novoselov, Alexey; Oblakowska-Mucha, Agnieszka; Obraztsov, Vladimir; Oggero, Serena; Ogilvy, Stephen; Okhrimenko, Oleksandr; Oldeman, Rudolf; Onderwater, Gerco; Orlandea, Marius; Otalora Goicochea, Juan Martin; Owen, Patrick; Oyanguren, Maria Arantza; Pal, Bilas Kanti; Palano, Antimo; Palombo, Fernando; Palutan, Matteo; Panman, Jacob; Papanestis, Antonios; Pappagallo, Marco; Pappalardo, Luciano; Parkes, Christopher; Parkinson, Christopher John; Passaleva, Giovanni; Patel, Girish; Patel, Mitesh; Patrignani, Claudia; Pavel-Nicorescu, Carmen; Pazos Alvarez, Antonio; Pearce, Alex; Pellegrino, Antonio; Penso, Gianni; Pepe Altarelli, Monica; Perazzini, Stefano; Perez Trigo, Eliseo; Perret, Pascal; Perrin-Terrin, Mathieu; Pescatore, Luca; Pesen, Erhan; Pessina, Gianluigi; Petridis, Konstantin; Petrolini, Alessandro; Picatoste Olloqui, Eduardo; Pietrzyk, Boleslaw; Pilař, Tomas; Pinci, Davide; Pistone, Alessandro; Playfer, Stephen; Plo Casasus, Maximo; Polci, Francesco; Polok, Grzegorz; Poluektov, Anton; Polycarpo, Erica; Popov, Alexander; Popov, Dmitry; Popovici, Bogdan; Potterat, Cédric; Powell, Andrew; Prisciandaro, Jessica; Pritchard, Adrian; Prouve, Claire; Pugatch, Valery; Puig Navarro, Albert; Punzi, Giovanni; Qian, Wenbin; Rachwal, Bartolomiej; Rademacker, Jonas; Rakotomiaramanana, Barinjaka; Rama, Matteo; Rangel, Murilo; Raniuk, Iurii; Rauschmayr, Nathalie; Raven, Gerhard; Redford, Sophie; Reichert, Stefanie; Reid, Matthew; dos Reis, Alberto; Ricciardi, Stefania; Richards, Alexander; Rinnert, Kurt; Rives Molina, Vincente; Roa Romero, Diego; Robbe, Patrick; Roberts, Douglas; Rodrigues, Ana Barbara; Rodrigues, Eduardo; Rodriguez Perez, Pablo; Roiser, Stefan; Romanovsky, Vladimir; Romero Vidal, Antonio; Rotondo, Marcello; Rouvinet, Julien; Ruf, Thomas; Ruffini, Fabrizio; Ruiz, Hugo; Ruiz Valls, Pablo; Sabatino, Giovanni; Saborido Silva, Juan Jose; Sagidova, Naylya; Sail, Paul; Saitta, Biagio; Salustino Guimaraes, Valdir; Sanmartin Sedes, Brais; Santacesaria, Roberta; Santamarina Rios, Cibran; Santovetti, Emanuele; Sapunov, Matvey; Sarti, Alessio; Satriano, Celestina; Satta, Alessia; Savrie, Mauro; Savrina, Darya; Schiller, Manuel; Schindler, Heinrich; Schlupp, Maximilian; Schmelling, Michael; Schmidt, Burkhard; Schneider, Olivier; Schopper, Andreas; Schune, Marie Helene; Schwemmer, Rainer; Sciascia, Barbara; Sciubba, Adalberto; Seco, Marcos; Semennikov, Alexander; Senderowska, Katarzyna; Sepp, Indrek; Serra, Nicola; Serrano, Justine; Seyfert, Paul; Shapkin, Mikhail; Shapoval, Illya; Shcheglov, Yury; Shears, Tara; Shekhtman, Lev; Shevchenko, Oksana; Shevchenko, Vladimir; Shires, Alexander; Silva Coutinho, Rafael; Simi, Gabriele; Sirendi, Marek; Skidmore, Nicola; Skwarnicki, Tomasz; Smith, Anthony; Smith, Edmund; Smith, Eluned; Smith, Jackson; Smith, Mark; Snoek, Hella; Sokoloff, Michael; Soler, Paul; Soomro, Fatima; Souza, Daniel; Souza De Paula, Bruno; Spaan, Bernhard; Sparkes, Ailsa; Spinella, Franco; Spradlin, Patrick; Stagni, Federico; Stahl, Sascha; Steinkamp, Olaf; Stevenson, Scott; Stoica, Sabin; Stone, Sheldon; Storaci, Barbara; Stracka, Simone; Straticiuc, Mihai; Straumann, Ulrich; Stroili, Roberto; Subbiah, Vijay Kartik; Sun, Liang; Sutcliffe, William; Swientek, Stefan; Syropoulos, Vasileios; Szczekowski, Marek; Szczypka, Paul; Szilard, Daniela; Szumlak, Tomasz; T'Jampens, Stephane; Teklishyn, Maksym; Tellarini, Giulia; Teodorescu, Eliza; Teubert, Frederic; Thomas, Christopher; Thomas, Eric; van Tilburg, Jeroen; Tisserand, Vincent; Tobin, Mark; Tolk, Siim; Tomassetti, Luca; Tonelli, Diego; Topp-Joergensen, Stig; Torr, Nicholas; Tournefier, Edwige; Tourneur, Stephane; Tran, Minh Tâm; Tresch, Marco; Tsaregorodtsev, Andrei; Tsopelas, Panagiotis; Tuning, Niels; Ubeda Garcia, Mario; Ukleja, Artur; Ustyuzhanin, Andrey; Uwer, Ulrich; Vagnoni, Vincenzo; Valenti, Giovanni; Vallier, Alexis; Vazquez Gomez, Ricardo; Vazquez Regueiro, Pablo; Vázquez Sierra, Carlos; Vecchi, Stefania; Velthuis, Jaap; Veltri, Michele; Veneziano, Giovanni; Vesterinen, Mika; Viaud, Benoit; Vieira, Daniel; Vilasis-Cardona, Xavier; Vollhardt, Achim; Volyanskyy, Dmytro; Voong, David; Vorobyev, Alexey; Vorobyev, Vitaly; Voß, Christian; Voss, Helge; de Vries, Jacco; Waldi, Roland; Wallace, Charlotte; Wallace, Ronan; Wandernoth, Sebastian; Wang, Jianchun; Ward, David; Watson, Nigel; Webber, Adam Dane; Websdale, David; Whitehead, Mark; Wicht, Jean; Wiechczynski, Jaroslaw; Wiedner, Dirk; Wiggers, Leo; Wilkinson, Guy; Williams, Matthew; Williams, Mike; Wilson, Fergus; Wimberley, Jack; Wishahi, Julian; Wislicki, Wojciech; Witek, Mariusz; Wormser, Guy; Wotton, Stephen; Wright, Simon; Wu, Suzhi; Wyllie, Kenneth; Xie, Yuehong; Xing, Zhou; Yang, Zhenwei; Yuan, Xuhao; Yushchenko, Oleg; Zangoli, Maria; Zavertyaev, Mikhail; Zhang, Feng; Zhang, Liming; Zhang, Wen Chao; Zhang, Yanxi; Zhelezov, Alexey; Zhokhov, Anatoly; Zhong, Liang; Zvyagin, Alexander

    2014-01-01

    Charged particle multiplicities are studied in proton-proton collisions in the forward region at a centre-of-mass energy of $\\sqrt{s} = 7\\;$TeV with data collected in 2010 by the LHCb detector. The forward spectrometer allows access to a kinematic range of $2.0<\\eta<4.8$ in pseudorapidity, momenta down to $2\\;$GeV/$c$ and transverse momenta down to $0.2\\;$GeV/$c$. The measurements are performed using minimum-bias events with at least one charged particle in the kinematic acceptance. The results are presented as functions of pseudorapidity and transverse momentum and are compared to predictions from several Monte Carlo event generators.

  11. Temperature dependence of positron-annihilation lifetime, free volume, conductivity, ionic mobility, and number of charge carriers in a polymer electrolyte polyethylene oxide complexed with NH4ClO4

    Science.gov (United States)

    Haldar, B.; Singru, R. M.; Maurya, K. K.; Chandra, S.

    1996-09-01

    Various physical properties of the solution-cast films of the proton conducting polymer polyethylene oxide (PEO) complexed with ammonium perchlorate (NH4ClO4) have been studied in the temperature range 300-370 K. These properties studied by us include free volume by positron lifetime spectroscopy, ionic conductivity by impedance spectroscopy, ionic mobility by transient ionic current technique, number of charge carriers, dielectric constant, etc. The hole volume and conductivity show a steep rise at T~=Tm (~333 K). It appears that the increase in free volume arises out of the increase in the size of the holes rather than an increase in their number. Although the free volume shows an increase around Tm, the measured ionic mobility does not show similar behavior. The increase in the conductivity at Tm is, therefore, ascribed to an increase in the number of charge carriers at ~Tm. A suitable dissociation model involving the dielectric constant is proposed to explain this increase. The value of the dissociation energy for PEO:NH4ClO4 has been determined to be 2.4 eV.

  12. A safe, fast-charge, two-volt lithium/polymer cathode `AA`-size cell with a greater than 250 Wh kg{sup -1} energy density

    Energy Technology Data Exchange (ETDEWEB)