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…

How good are Hartree-Fock charge densities

International Nuclear Information System (INIS)

Campi, X.

1975-01-01

The principle characteristics of Hartree-Fock charge densities (mean square radius, surface thickness, quantum fluctuation) calculated using different effective interactions are discussed in terms of their nuclear matter properties (Fermi momentum, effective mass, incompressibility). A comparison with the experimental charge distributions is made. Differences between the charge densities of neighbouring nuclei (isotope and isotone shifts) are also considered and the main factors governing these effects are discussed [fr

Charge and transition densities of samarium isotopes in the interacting Boson model

International Nuclear Information System (INIS)

Moinester, M.A.; Alster, J.; Dieperink, A.E.L.

1982-01-01

The interacting boson approximation (IBA) model has been used to interpret the ground-state charge distributions and lowest 2 + transition charge densities of the even samarium isotopes for A = 144-154. Phenomenological boson transition densities associated with the nucleons comprising the s-and d-bosons of the IBA were determined via a least squares fit analysis of charge and transition densities in the Sm isotopes. The application of these boson trasition densities to higher excited 0 + and 2 + states of Sm, and to 0 + and 2 + transitions in neighboring nuclei, such as Nd and Gd, is described. IBA predictions for the transition densities of the three lowest 2 + levels of 154 Gd are given and compared to theoretical transition densities based on Hartree-Fock calculations. The deduced quadrupole boson transition densities are in fair agreement with densities derived previously from 150 Nd data. It is also shown how certain moments of the best fit boson transition densities can simply and sucessfully describe rms radii, isomer shifts, B(E2) strengths, and transition radii for the Sm isotopes. (orig.)

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.

Central depression of nuclear charge density distribution

International Nuclear Information System (INIS)

Chu Yanyun; Ren Zhongzhou; Wang Zaijun; Dong Tiekuang

2010-01-01

The center-depressed nuclear charge distributions are investigated with the parametrized distribution and the relativistic mean-field theory, and their corresponding charge form factors are worked out with the phase shift analysis method. The central depression of nuclear charge distribution of 46 Ar and 44 S is supported by the relativistic mean-field calculation. According to the calculation, the valence protons in 46 Ar and 44 S prefer to occupy the 1d 3/2 state rather than the 2s 1/2 state, which is different from that in the less neutron-rich argon and sulfur isotopes. As a result, the central proton densities of 46 Ar and 44 S are highly depressed, and so are their central charge densities. The charge form factors of some argon and sulfur isotopes are presented, and the minima of the charge form factors shift upward and inward when the central nuclear charge distributions are more depressed. Besides, the effect of the central depression on the charge form factors is studied with a parametrized distribution, when the root-mean-square charge radii remain constant.

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.

Electron scattering by nuclei and transition charge densities

International Nuclear Information System (INIS)

Gul'karov, I.S.

1988-01-01

Transition charge densities for states of electric type, for nuclei with A≤40--50 as obtained from data on inelastic electron scattering, are studied. The formalism of electroexcitation of nuclei is considered, together with various models (macroscopic and microscopic) used to calculate form factors, transition charge densities, and the moments of these densities: B(Eλ) and R/sub λ/ . The macroscopic models are derived microscopically, and it is shown that the model-independent sum rules lead to the same transition densities as calculations based on various hydrodynamic models. The sum rules with and without allowance for the Skyrme exchange interaction are discussed. The results of the calculations are compared with the experimental form factors of electron scattering by nuclei from 12 C to 48 Ca with excitation in them of normal-parity states with I/sup π/ = 0 + , 1 - , 2 + , 3 - , 4 + , 5 - and T = 0. The model-independent transition charge densities for the weakly collectivized excitations differ strongly from the model-dependent densities. The influence of neutrons on the transition charge densities of the nuclear isotopes 16 /sup ,/ 18 O, 32 /sup ,/ 34 S, and 40 /sup ,/ 48 Ca is considered

Modern charge-density analysis

CERN Document Server

Gatti, Carlo

2012-01-01

Focusing on developments from the past 10-15 years, this volume presents an objective overview of the research in charge density analysis. The most promising methodologies are included, in addition to powerful interpretative tools and a survey of important areas of research.

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

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

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

The device performance of organic transistors is strongly influenced by the charge carrier distribution. A range of factors effect this distribution, including injection barriers at the metal-semiconductor interface, the morphology of the organic film, and charge traps at the dielectric/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...... and optical responses consistently. We determined the densities of free and trapped holes at the interface between the organic layer and the SiO2 gate dielectric by comparison to electrical measurements. Furthermore by applying fluorescence lifetime imaging microscopy we determine the local charge carrier...

Charge densities and charge noise in mesoscopic conductors

Indian Academy of Sciences (India)

This generalization leads to a local Wigner–Smith life-time matrix. Keywords. Density ... Of interest is the charge distribution in such a conductor and ..... is the transmission probability of the scattering problem without absorption if .... as a voltage probe which has its potential adjusted in such a way that there is no net current.

Interplay of charge density wave and spin density wave in high-Tc superconductors

International Nuclear Information System (INIS)

Pradhan, B.; Raj, B.K.; Rout, G.C.

2008-01-01

We present a mean-field theory theoretical model study for the coexistence of the two strongly interacting charge density wave (CDW) and spin density wave (SDW) for high-T c cuprates in the underdoped region before the onset of the superconductivity in the system. The analytic expressions for the temperature dependence of the CDW and SDW order parameters are derived and solved self-consistently. Their interplay is studied by varying their respective coupling constants. It is observed that in the interplay region both the gap parameters exhibit very strong dependence of their gap values for the coupling constants. Further, the electronic density of states (DOS) for the conduction electrons, which represents the scanning tunneling data, show two gap parameters in the interplay region from these experimental data. Our model can help to determine separately the CDW and SDW parameters

Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

Science.gov (United States)

Ge, Zhenpeng; Wang, Yi

2017-04-20

Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

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.

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.

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)

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

International Nuclear Information System (INIS)

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

1985-01-01

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

Charge density of GaxAl1− xSb

Indian Academy of Sciences (India)

Charge density calculations and electronic band structures for GaAl1- = 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. = 0:0, 0.125 and 0.25 0 by generating the potential through a ...

Nanoscale smoothing and the analysis of interfacial charge and dipolar densities

International Nuclear Information System (INIS)

Junquera, Javier; Cohen, Morrel H; Rabe, Karin M

2007-01-01

The interface properties of interest in multilayers include interfacial charge densities, dipole densities, band offsets, and screening lengths, among others. Most such properties are inaccessible to direct measurements, but are key to understanding the physics of the multilayers. They are contained within first-principles electronic structure computations but are buried within the vast amount of quantitative information those computations generate. Thus far, they have been extracted from the numerical data by heuristic nanosmoothing procedures which do not necessarily provide results independent of the smoothing process. In the present paper we develop the theory of nanosmoothing, establishing procedures for both unpolarized and polarized systems which yield interfacial charge and dipole densities and band offsets invariant to the details of the smoothing procedures when the criteria we have established are met. We show also that dipolar charge densities, i.e. the densities of charge transferred across the interface, and screening lengths are not invariant. We illustrate our procedure with a toy model in which real, transversely averaged charge densities are replaced by sums of Gaussians. (topical review)

Possibilities of increasing coal charge density by adding fuel oil

Directory of Open Access Journals (Sweden)

M. Fröhlichová

2010-01-01

Full Text Available The requirement of all coke-making facilities is to achieve the highest possible production of high quality coke from a chamber. It can be achieved by filling the effective capacity of the chamber with the highest possible amount of coal. One of the possibilities of meeting this requirement is to increase the charge density in the coke chamber. In case of a coke battery operating on bulk coal there are many methods to increase the charge density including the use of wetting agents in the charge. This article presents the results of the laboratory experiments aiming at the increase of the charge density using fuel oil as a wetting agent. The experiments were carried out by means of the Pitin’s device using 3 coal charges with various granularity composition and moisture content of 7, 8, 9 and 10 %.

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 (k S ) 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 k S 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.

Gravity dual of spin and charge density waves

Science.gov (United States)

Jokela, Niko; Järvinen, Matti; Lippert, Matthew

2014-12-01

At high enough charge density, the homogeneous state of the D3-D7' model is unstable to fluctuations at nonzero momentum. We investigate the end point of this instability, finding a spatially modulated ground state, which is a charge and spin density wave. We analyze the phase structure of the model as a function of chemical potential and magnetic field and find the phase transition from the homogeneous state to be first order, with a second-order critical point at zero magnetic field.

Injection space charge: enlargements of flux density functioning point choice

International Nuclear Information System (INIS)

Ropert, A.

In Saturne, injection consists of a synchrobetatron filling of the chamber, with the goal of providing a beam with the following characteristics circulating in the machine: horizontal flux density 90 πmm mrd, vertical flux density 210 πmm mrd, dispersion in moments +- 7 x 10 -3 , and number of particles 2 x 10 12 . The determination of the principal injection parameters was made by means of GOC calculation programs. The goal of this study is to show a certain number of phenomena induced by the forces due to space charge and left suspended up to this point: variations in the intensity injectable into the machine extension of the beam occupation zone in the ν/sub x'/ ν/sub z/ diagram, and turn-turn interactions. The effects of the space charge lead to a deterioration of the injected beam for certain functioning points leading to the selection of a zone in the ν/sub x'/ ν/sub z/ diagram that is particularly suitable for beam injection

Charge-density-shear-moduli relationships in aluminum-lithium alloys.

Science.gov (United States)

Eberhart, M

2001-11-12

Using the first principles full-potential linear-augmented-Slater-type orbital technique, the energies and charge densities of aluminum and aluminum-lithium supercells have been computed. The experimentally observed increase in aluminum's shear moduli upon alloying with lithium is argued to be the result of predictable changes to aluminum's total charge density, suggesting that simple rules may allow the alloy designer to predict the effects of dilute substitutional elements on alloy elastic response.

Efficient mixing scheme for self-consistent all-electron charge density

Science.gov (United States)

Shishidou, Tatsuya; Weinert, Michael

2015-03-01

In standard ab initio density-functional theory calculations, the charge density ρ is gradually updated using the ``input'' and ``output'' densities of the current and previous iteration steps. To accelerate the convergence, Pulay mixing has been widely used with great success. It expresses an ``optimal'' input density ρopt and its ``residual'' Ropt by a linear combination of the densities of the iteration sequences. In large-scale metallic systems, however, the long range nature of Coulomb interaction often causes the ``charge sloshing'' phenomenon and significantly impacts the convergence. Two treatments, represented in reciprocal space, are known to suppress the sloshing: (i) the inverse Kerker metric for Pulay optimization and (ii) Kerker-type preconditioning in mixing Ropt. In all-electron methods, where the charge density does not have a converging Fourier representation, treatments equivalent or similar to (i) and (ii) have not been described so far. In this work, we show that, by going through the calculation of Hartree potential, one can accomplish the procedures (i) and (ii) without entering the reciprocal space. Test calculations are done with a FLAPW method.

Interplay of charge density wave and spin density wave in high-T{sub c} superconductors

Energy Technology Data Exchange (ETDEWEB)

Pradhan, B. [Government Science College, Malkangiri 764 048 (India)], E-mail: brunda@iopb.res.in; Raj, B.K. [B.J.B. College, Bhubaneswar 751 014 (India); Rout, G.C. [Condensed Matter Physics Group, P.G. Department of Applied Physics and Ballistics, F.M. University, Balasore 756 019 (India)], E-mail: gcr@iopb.res.in

2008-12-01

We present a mean-field theory theoretical model study for the coexistence of the two strongly interacting charge density wave (CDW) and spin density wave (SDW) for high-T{sub c} cuprates in the underdoped region before the onset of the superconductivity in the system. The analytic expressions for the temperature dependence of the CDW and SDW order parameters are derived and solved self-consistently. Their interplay is studied by varying their respective coupling constants. It is observed that in the interplay region both the gap parameters exhibit very strong dependence of their gap values for the coupling constants. Further, the electronic density of states (DOS) for the conduction electrons, which represents the scanning tunneling data, show two gap parameters in the interplay region from these experimental data. Our model can help to determine separately the CDW and SDW parameters.

Real-space calculations of nonspherically averaged charge densities for substitutionally disordered alloys

International Nuclear Information System (INIS)

Singh, P.P.; Gonis, A.

1993-01-01

Based on screening transformations of muffin-tin orbitals introduced by Andersen and Jepsen [Phys. Rev. Lett. 53, 2571 (1984)], we have developed a formalism for calculating the nonspherically averaged charge densities of substitutionally disordered alloys using the Korringa-Kohn-Rostoker coherent-potential-approximation (KKR CPA) method in the atomic-sphere approximation (ASA). We have validated our method by calculating charge densities for ordered structures, where we find that our approach yields charge densities that are essentially indistinguishable from the results of full-potential methods. Calculations and comparisons are reported for Si, Al, and Li. For substitutionally disordered alloys, where full-potential methods have not been implemented so far, our approach can be used to calculate reliable nonspherically averaged charge densities from spherically symmetric one-electron potentials obtained from the KKR-ASA CPA. We report on our study of differences in charge density between ordered AlLi in the L1 0 phase and substitutionally disordered Al 0.5 Li 0.5 on a face-centered-cubic lattice

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.

Solitons in one-dimensional charge density wave systems

International Nuclear Information System (INIS)

Su, W.P.

1981-01-01

Theoretical research on one dimensional charge density wave systems is outlined. A simple coupled electron-photon Hamiltonian is studied including a Green's function approach, molecular dynamics, and Monte Carlo path integral method. As in superconductivity, the nonperturbative nature of the system makes the physical ground states and low energy excitations drastically different from the bare electrons and phonons. Solitons carry quantum numbers which are entirely different from those of the bare electrons and holes. The fractional charge character of the solitons is an example of this fact. Solitons are conveniently generated by doping material with donors or acceptors or by photon absorption. Most predictions of the theory are in qualitative agreement with experiments. The one dimensional charge density wave system has potential technological importance and a possible role in uncovering phenomena which might have implications in relativistic field theory and elementary particle physics

Exploring effective interactions through transition charge density ...

Indian Academy of Sciences (India)

tematics like reduced transition probabilities B(E2) and static quadrupole moments Q(2) ... approximations of solving large scale shell model problems in Monte Carlo meth- ... We present the theoretical study of transition charge densities.

The effect of polymer charge density and charge distribution on the formation of multilayers

CERN Document Server

Voigt, U; Tauer, K; Hahn, M; Jäger, W; Klitzing, K V

2003-01-01

Polyelectrolyte multilayers which are built up by alternating adsorption of polyanions and polycations from aqueous solutions at a solid interface are investigated by reflectometry and ellipsometry. Below a degree of charge of about 70% the adsorption stops after a certain number of dipping cycles and no multilayer formation occurs. This indicates an electrostatically driven adsorption process. Below a charge density of 70% an adsorption can take place if the charged segments are combined as a block of the polymer.

Structure of the charge density wave in cuprate superconductors: Lessons from NMR

Science.gov (United States)

Atkinson, W. A.; Ufkes, S.; Kampf, A. P.

2018-03-01

Using a mix of numerical and analytic methods, we show that recent NMR 17O measurements provide detailed information about the structure of the charge-density wave (CDW) phase in underdoped YBa2Cu3O6 +x . We perform Bogoliubov-de Gennes (BdG) calculations of both the local density of states and the orbitally resolved charge density, which are closely related to the magnetic and electric quadrupole contributions to the NMR spectrum, using a microscopic model that was shown previously to agree closely with x-ray experiments. The BdG results reproduce qualitative features of the experimental spectrum extremely well. These results are interpreted in terms of a generic "hot-spot" model that allows one to trace the origins of the NMR line shapes. We find that four quantities—the orbital character of the Fermi surface at the hot spots, the Fermi surface curvature at the hot spots, the CDW correlation length, and the magnitude of the subdominant CDW component—are key in determining the line shapes.

Effective Area and Charge Density of Iridium Oxide Neural Electrodes

International Nuclear Information System (INIS)

Harris, Alexander R.; Paolini, Antonio G.; Wallace, Gordon G.

2017-01-01

The effective electrode area and charge density of iridium metal and anodically activated iridium has been measured by optical and electrochemical techniques. The degree of electrode activation could be assessed by changes in electrode colour. The reduction charge, activation charge, number of activation pulses and charge density were all strongly correlated. Activated iridium showed slow electron transfer kinetics for reduction of a dissolved redox species. At fast voltammetric scan rates the linear diffusion electroactive area was unaffected by iridium activation. At slow voltammetric scan rates, the steady state diffusion electroactive area was reduced by iridium activation. The steady state current was consistent with a ring electrode geometry, with lateral resistance reducing the electrode area. Slow electron transfer on activated iridium would require a larger overpotential to reduce or oxidise dissolved species in tissue, limiting the electrodes charge capacity but also reducing the likelihood of generating toxic species in vivo.

Full charge-density calculation of the surface energy of metals

DEFF Research Database (Denmark)

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

1994-01-01

of a spherically symmetrized charge density, while the Coulomb and exchange-correlation contributions are calculated by means of the complete, nonspherically symmetric charge density within nonoverlapping, space-filling Wigner-Seitz cells. The functional is used to assess the convergence and the accuracy......We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by means...... of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....

Charge density modification of carboxylated cellulose nanocrystals for stable silver nanoparticles suspension preparation

International Nuclear Information System (INIS)

Hoeng, Fanny; Denneulin, Aurore; Neuman, Charles; Bras, Julien

2015-01-01

Synthesis of silver nanoparticles using cellulose nanocrystals (CNC) has been found to be a great method for producing metallic particles in a sustainable way. In this work, we propose to evaluate the influence of the charge density of 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO)-oxidized CNC on the morphology and the stability of synthetized silver nanoparticles. Silver nanoparticles were obtained by sol–gel reaction using borohydride reduction, and charge density of TEMPO-oxidized CNC was tuned by an amine grafting. The grafting was performed at room temperature and neutral pH. Crystallinity and morphology were kept intact during the peptidic reaction on CNC allowing knowing the exact impact of the charge density. Charge density has been found to have a strong impact on shape, organization, and suspension stability of resulting silver particles. Results show an easy way to tune the charge density of CNC and propose a sustainable way to control the morphology and stability of silver nanoparticles in aqueous suspension

Experimental Evidence for Static Charge Density Waves in Iron Oxypnictides

KAUST Repository

Martinelli, A.; Manfrinetti, P.; Provino, A.; Genovese, Alessandro; Caglieris, F.; Lamura, G.; Ritter, C.; Putti, M.

2017-01-01

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.

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.

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.

Density functional theory calculations of charge transport properties ...

Indian Academy of Sciences (India)

ZIRAN CHEN

2017-08-04

Aug 4, 2017 ... properties of 'plate-like' coronene topological structures ... Keywords. Organic semiconductors; density functional theory; charge carrier mobility; ambipolar transport; ..... nology Department of Sichuan Province (Grant Number.

Selective Coherent Excitation of Charged Density Waves

NARCIS (Netherlands)

Tsvetkov, A.A.; Sagar, D.M.; Loosdrecht, P.H.M. van; Marel, D. van der

2003-01-01

Real time femtosecond pump-probe spectroscopy is used to study collective and single particle excitations in the charge density wave state of the quasi-1D metal, blue bronze. Along with the previously observed collective amplitudon excitation, the spectra show several additional coherent features.

Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations.

Science.gov (United States)

Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

2016-10-01

Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m:-n electrolyte. A perturbation series is developed in terms of g=4πκb, where band1/κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m≠n), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

Kaon transverse charge density from space- and timelike data

Science.gov (United States)

Mecholsky, N. A.; Meija-Ott, J.; Carmignotto, M.; Horn, T.; Miller, G. A.; Pegg, I. L.

2017-12-01

We used the world data on the kaon form factor to extract the transverse kaon charge density using a dispersion integral of the imaginary part of the kaon form factor in the timelike region. Our analysis includes recent data from e+e- annihiliation measurements extending the kinematic reach of the data into the region of high momentum transfers conjugate to the region of short transverse distances. To calculate the transverse density we created a superset of both timelike and spacelike data and developed an empirical parameterization of the kaon form factor. The spacelike set includes two new data points we extracted from existing cross section data. We estimate the uncertainty on the resulting transverse density to be 5% at b =0.025 fm and significantly better at large distances. New kaon data planned with the 12 GeV Jefferson Lab may have a significant impact on the charge density at distances of b <0.1 fm.

Breakdown of the Siegert theorem and the many-body charge density operators

International Nuclear Information System (INIS)

Hyuga, H.; Ohtsubo, H.

1978-01-01

The exchange charge density operator is studied in the two-boson exchange model with consistent treatment of the exchange current and nuclear wave functions. A non-vanishing exchange charge density operator even in the static limit, which leads to the breakdown of the Siegert theorem, is found. (Auth.)

Challenging chemical concepts through charge density of molecules and crystals

International Nuclear Information System (INIS)

Gatti, Carlo

2013-01-01

Narrating my scientific career, I show in this paper how, starting as a computational and theoretical chemist, I got naturally involved with x-ray crystallographers because of the common interest in charge density and in the study of chemical bonds based on such an observable. The tools I devised and the conceptual developments I made to facilitate a profitable encounter between x-ray charge density and computational chemistry researchers are illustrated, with a special focus on the proposal and applications of the Source Function concept. (comment)

Studies of the pressure dependence of the charge density distribution in cerium phosphide by the maximum-entropy method

CERN Document Server

Ishimatsu, N; Takata, M; Nishibori, E; Sakata, M; Hayashi, J; Shirotani, I; Shimomura, O

2002-01-01

The physical properties relating to 4f electrons in cerium phosphide, especially the temperature dependence and the isomorphous transition that occurs at around 10 GPa, were studied by means of x-ray powder diffraction and charge density distribution maps derived by the maximum-entropy method. The compressibility of CeP was exactly determined using a helium pressure medium and the anomaly that indicated the isomorphous transition was observed in the compressibility. We also discuss the anisotropic charge density distribution of Ce ions and its temperature dependence.

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.

Charge-density depinning at metal contacts of graphene field-effect transistors

OpenAIRE

Nouchi, Ryo; Tanigaki, Katsumi

2010-01-01

An anomalous distortion is often observed in the transfer characteristics of graphene field-effect transistors. We fabricate graphene transistors with ferromagnetic metal electrodes, which reproducibly display distorted transfer characteristics, and show that the distortion is caused by metal-graphene contacts with no charge-density pinning effect. The pinning effect, where the gate voltage cannot tune the charge density of graphene at the metal electrodes, has been experimentally observed; h...

Relationship between defect density and charge carrier transport in amorphous and microcrystalline silicon

International Nuclear Information System (INIS)

Astakhov, Oleksandr; Carius, Reinhard; Finger, Friedhelm; Petrusenko, Yuri; Borysenko, Valery; Barankov, Dmytro

2009-01-01

The influence of dangling-bond defects and the position of the Fermi level on the charge carrier transport properties in undoped and phosphorous doped thin-film silicon with structure compositions all the way from highly crystalline to amorphous is investigated. The dangling-bond density is varied reproducibly over several orders of magnitude by electron bombardment and subsequent annealing. The defects are investigated by electron-spin-resonance and photoconductivity spectroscopies. Comparing intrinsic amorphous and microcrystalline silicon, it is found that the relationship between defect density and photoconductivity is different in both undoped materials, while a similar strong influence of the position of the Fermi level on photoconductivity via the charge carrier lifetime is found in the doped materials. The latter allows a quantitative determination of the value of the transport gap energy in microcrystalline silicon. The photoconductivity in intrinsic microcrystalline silicon is, on one hand, considerably less affected by the bombardment but, on the other hand, does not generally recover with annealing of the defects and is independent from the spin density which itself can be annealed back to the as-deposited level. For amorphous silicon and material prepared close to the crystalline growth regime, the results for nonequilibrium transport fit perfectly to a recombination model based on direct capture into neutral dangling bonds over a wide range of defect densities. For the heterogeneous microcrystalline silicon, this model fails completely. The application of photoconductivity spectroscopy in the constant photocurrent mode (CPM) is explored for the entire structure composition range over a wide variation in defect densities. For amorphous silicon previously reported linear correlation between the spin density and the subgap absorption is confirmed for defect densities below 10 18 cm -3 . Beyond this defect level, a sublinear relation is found i.e., not

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.

Charge density study of two FeS2 polymorphs

DEFF Research Database (Denmark)

Schmøkel, Mette Stokkebro; Jørgensen, Mads Ry Vogel; Bjerg, Lasse

Experimental charge density studies of inorganic solids have proven to be a difficult task due to systematic errors related to data collection such as absorption and extinction; however, the use of synchrotron radiation has the potential to minimize these problems. [1] One of the pioneering...... experimental electron density studies of an inorganic solid containing a transition metal was presented by Stevens et al. [2] who investigated the effect of crystal-field splitting of the partially filled iron d-orbitals in the pyrite structure of FeS2. Other studies of various FeS2 structures, including...... pyrite, has been performed by Gibbs et al. [3], however, these are all based on theoretical calculations rather than experiment. In the current study we revisit FeS2 through an experimental charge density study of the two low-spin iron FeS2 structures, pyrite and marcasite. High-quality, low...

Topology of charge density of flucytosine and related molecules and characteristics of their bond charge distributions.

Science.gov (United States)

Murgich, Juan; Franco, Héctor J; San-Blas, Gioconda

2006-08-24

The molecular charge distribution of flucytosine (4-amino-5-fluoro-2-pyrimidone), uracil, 5-fluorouracil, and thymine was studied by means of density functional theory calculations (DFT). The resulting distributions were analyzed by means of the atoms in molecules (AIM) theory. Bonds were characterized through vectors formed with the charge density value, its Laplacian, and the bond ellipticity calculated at the bond critical point (BCP). Within each set of C=O, C-H, and N-H bonds, these vectors showed little dispersion. C-C bonds formed three different subsets, one with a significant degree of double bonding, a second corresponding to single bonds with a finite ellipticity produced by hyperconjugation, and a third one formed by a pure single bond. In N-C bonds, a decrease in bond length (an increase in double bond character) was not reflected as an increase in their ellipticity, as in all C-C bonds studied. It was also found that substitution influenced the N-C, C-O, and C-C bond ellipticity much more than density and its Laplacian at the BCP. The Laplacian of charge density pointed to the existence of both bonding and nonbonding maxima in the valence shell charge concentration of N, O, and F, while only bonding ones were found for the C atoms. The nonbonding maxima related to the sites for electrophilic attack and H bonding in O and N, while sites of nucleophilic attack were suggested by the holes in the valence shell of the C atoms of the carbonyl groups.

Static and dynamical valence-charge-density properties of GaAs

International Nuclear Information System (INIS)

Pietsch, U.

1993-01-01

Owing to the close neighbourhood of Ga and As in Mendeleev's table, GaAs shows two fundamental classes of X-ray structure amplitudes distinguished by their extremely different scattering power. They are differently sensitive to the valence electron density (VED) redistribution caused by the chemical bond and must be measured by different experimental methods. Using such data, both the VED and the difference electron densities (DED) are calculated here. Comparison with theoretical densities shows that the VED is characterized by covalent, ionic and metallic contributions. The DED constructed from GaAs and Ge data demonstrates the electronic response caused by a ''protonic'' charge transfer between both f.c.c. sublattices as well as the transition from a purely covalent to a mixed covalent-ionic bond. Especially the charge-density accumulation between nearest neighbours (bond charge (BC)) depends on the distance between the bonding atoms and changes under the influence of any lattice deformation. This phenomenon is described by a BC-transfer model. Its direct experimental proof is given by measuring the variation of the scattering power of weak reflections under the influence of an external electric field. This experiment demonstrates that the ionicity of the bond changes in addition to the BC variation. (orig.)

Acceleration of high charge density electron beams in the SLAC linac

International Nuclear Information System (INIS)

Sheppard, J.C.; Clendenin, J.E.; Jobe, R.K.; Lueth, V.G.; Millich, A.; Ross, M.C.; Seeman, J.T.; Stiening, R.F.

1984-01-01

The SLAC Linear Collider (SLC) will require both electron and positron beams of very high charge density and low emittance to be accelerated to about 50 GeV in the SLAC 3-km linac. The linac is in the process of being improved to meet this requirement. The program to accelerate an electron beam of high charge density through the first third of the SLC linac is described and the experimental results are discussed. 7 references, 5 figures

Investigation of surface charge density on solid–liquid interfaces by modulating the electrical double layer

International Nuclear Information System (INIS)

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

2015-01-01

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. (paper)

Charge-scaling effect in ionic liquids from the charge-density analysis of N,N'-dimethylimidazolium methylsulfate.

Science.gov (United States)

Beichel, Witali; Trapp, Nils; Hauf, Christoph; Kohler, Oliver; Eickerling, Georg; Scherer, Wolfgang; Krossing, Ingo

2014-03-17

The charge scaling effect in ionic liquids was explored on the basis of experimental and theoretical chargedensity analyses of [C1MIM][C1SO4] employing the quantum theory of atoms in molecules (QTAIM) approach. Integrated QTAIM charges of the experimental (calculated) charge density of the cation and anion resulted in non-integer values of ±0.90 (±0.87) e. Efficient charge transfer along the bond paths of the hydrogen bonds between the imidazolium ring and the anion was considered as the origin of these reduced charges. In addition, a detailed QTAIM analysis of the bonding situation in the [C1SO4]- anion revealed the presence of negative πO→σ*S-O hyperconjugation.

Portable refrigerant charge meter and method for determining the actual refrigerant charge in HVAC systems

Science.gov (United States)

Gao, Zhiming; Abdelaziz, Omar; LaClair, Tim L.

2017-08-08

A refrigerant charge meter and a method for determining the actual refrigerant charge in HVAC systems are described. The meter includes means for determining an optimum refrigerant charge from system subcooling and system component parameters. The meter also includes means for determining the ratio of the actual refrigerant charge to the optimum refrigerant charge. Finally, the meter includes means for determining the actual refrigerant charge from the optimum refrigerant charge and the ratio of the actual refrigerant charge to the optimum refrigerant charge.

Determination of Jupiter's electron density profile from plasma wave observations

International Nuclear Information System (INIS)

Gurnett, D.A.; Scarf, F.L.; Kurth, W.S.; Shaw, R.R.; Poynter, R.L.

1981-01-01

This paper summarizes the electron density measurements obtained in the Jovian magnetosphere from the plasma wave instruments on the Voyager 1 and 2 spacecraft. Three basic techniques are discussed for determining the electron density: (1) local measurements from the low-frequency cutoff of continuum radiation, (2) local measurements from the frequency of upper hybrid resonance emissions, and (3) integral measurements from the dispersion of whistlers. The limitations and advantages of each technique are critically reviewed. In all cases the electron densities are unaffected by spacecraft charging or sheath effects, which makes these measurements of particular importance for verifying in situ plasma and low-energy charged particle measurments. In the outer regions of the dayside magnetosphere, beyond about 40 R/sub J/, the electron densities range from about 3 x 10 -3 to 3 x 10 -2 cm -3 . On Voyager 2, several brief excursions apparently occurred into the low-density region north of the plasma sheet with densities less than 10 -3 cm -3 . Approaching the planet the electron density gradually increases, with the plasma frequency extending above the frequency range of the plasma wave instrument (56 kHz, or about 38 electrons cm -3 ) inside of about 8 R/sub J/. Within the high-density region of the Io plasma torus, whistlers provide measurements of the north-south scale height of the plasma torus, with scale heights ranging from about 0.9 to 2.5 R/sub J/

Application of »Mass Titration« to Determination of Surface Charge of Metal Oxides

OpenAIRE

1998-01-01

The mass titration method, used for the point of zero charge determination, was extended to the measurement of the surface charge density. The results agree with the common method, which is the acid-base titration of the colloidal suspension. The advantage of mass titration is that one does not need to perform blank titration, instead one simply adds metal oxide powder to the electrolyte aqueous solution of known pH. To cover the pH range above and below the point of zero charge, two experime...

Helical patterns of magnetization and magnetic charge density in iron whiskers

Science.gov (United States)

Templeton, Terry L.; Hanham, Scott D.; Arrott, Anthony S.

2018-05-01

Studies with the (1 1 1) axis along the long axis of an iron whisker, 40 years ago, showed two phenomena that have remained unexplained: 1) In low fields, there are six peaks in the ac susceptibility, separated by 0.2 mT; 2) Bitter patterns showed striped domain patterns. Multipole columns of magnetic charge density distort to form helical patterns of the magnetization, accounting for the peaks in the susceptibility from the propagation of edge solitons along the intersections of the six sides of a (1 1 1) whisker. The stripes follow the helices. We report micromagnetic simulations in cylinders with various geometries for the cross-sections from rectangular, to hexagonal, to circular, with wide ranges of sizes and lengths, and different anisotropies, including (0 0 1) whiskers and the hypothetical case of no anisotropy. The helical patterns have been there in previous studies, but overlooked. The surface swirls and body helices are connected, but have their own individual behaviors. The magnetization patterns are more easily understood when viewed observing the scalar divergences of the magnetization as isosurfaces of magnetic charge density. The plus and minus charge densities form columns that interact with unlike charges attracting, but not annihilating as they are paid for by a decrease in exchange energy. Just as they start to form the helix, the columns are multipoles. If one could stretch the columns, the self-energy of the charges in a column would be diminished while making the attractive interactions of the unlike charges larger. The columns elongate by becoming helical. The visualization of 3-D magnetic charge distributions aids in the understanding of magnetization in soft magnetic materials.

The number density of a charged relic

Energy Technology Data Exchange (ETDEWEB)

Berger, C.F. [Massachusetts Institute of Technology, Cambridge, MA (United States). Center for Theoretical Physics]|[California Univ., Santa Barbara, CA (United States). Kavli Inst. for Theoretical Physics; Covi, L. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Kraml, S. [CNRS/IN2P3, Grenoble (France). Lab. de Physique Subatomique et de Cosmologie; Palorini, F. [Lyon Univ., UCBL, CNRS/IN2P3, Villeurbanne (France). IPN de Lyon

2008-07-15

We investigate scenarios in which a charged, long-lived scalar particle decouples from the primordial plasma in the Early Universe. We compute the number density at time of freeze-out considering both the cases of abelian and non-abelian interactions and including the effect of Sommerfeld enhancement at low initial velocity. We also discuss as extreme case the maximal cross section that fulfils the unitarity bound. We then compare these number densities to the exotic nuclei searches for stable relics and to the BBN bounds on unstable relics and draw conclusions for the cases of a stau or stop NLSP in supersymmetric models with a gravitino or axino LSP. (orig.)

The number density of a charged relic

International Nuclear Information System (INIS)

Berger, C.F.; Kraml, S.; Palorini, F.

2008-07-01

We investigate scenarios in which a charged, long-lived scalar particle decouples from the primordial plasma in the Early Universe. We compute the number density at time of freeze-out considering both the cases of abelian and non-abelian interactions and including the effect of Sommerfeld enhancement at low initial velocity. We also discuss as extreme case the maximal cross section that fulfils the unitarity bound. We then compare these number densities to the exotic nuclei searches for stable relics and to the BBN bounds on unstable relics and draw conclusions for the cases of a stau or stop NLSP in supersymmetric models with a gravitino or axino LSP. (orig.)

C library for topological study of the electronic charge density.

Science.gov (United States)

Vega, David; Aray, Yosslen; Rodríguez, Jesús

2012-12-05

The topological study of the electronic charge density is useful to obtain information about the kinds of bonds (ionic or covalent) and the atom charges on a molecule or crystal. For this study, it is necessary to calculate, at every space point, the electronic density and its electronic density derivatives values up to second order. In this work, a grid-based method for these calculations is described. The library, implemented for three dimensions, is based on a multidimensional Lagrange interpolation in a regular grid; by differentiating the resulting polynomial, the gradient vector, the Hessian matrix and the Laplacian formulas were obtained for every space point. More complex functions such as the Newton-Raphson method (to find the critical points, where the gradient is null) and the Cash-Karp Runge-Kutta method (used to make the gradient paths) were programmed. As in some crystals, the unit cell has angles different from 90°, the described library includes linear transformations to correct the gradient and Hessian when the grid is distorted (inclined). Functions were also developed to handle grid containing files (grd from DMol® program, CUBE from Gaussian® program and CHGCAR from VASP® program). Each one of these files contains the data for a molecular or crystal electronic property (such as charge density, spin density, electrostatic potential, and others) in a three-dimensional (3D) grid. The library can be adapted to make the topological study in any regular 3D grid by modifying the code of these functions. Copyright © 2012 Wiley Periodicals, Inc.

The effect of the charge density on the dipole moment of diatomic molecules

International Nuclear Information System (INIS)

Rosato, A.; Germano, J.S.E.

1986-01-01

The results of the calculation, using the Variational Cellular Method (VCM), of the electric dipole moment of several diatomic molecules are improved. In previous calculations, the electronic charge density was treated like a spherically symmetric function in the inscribed sphere within each cell and as being the same constant value for all intercellular regions. Since the results obtained with such an approximation have not been satisfactory, an improved approximation for the charge density in the intercellular regions is needed. It is considered that the charge density is still constant outside the inscribed sphere but with different values in each intercellular region. A new expression for the dipole moment is obtained, and applied to the diatomic molecules HF, CO, BF and CS. In addition, the corresponding dipole moment curves, potential energy curves and spectroscopic constants are calculated taking into consideration our approximation and the traditional approximation for the charge density. The results of the two models are compared with each other and with experimental results for all the molecules considered. (Author) [pt

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.

Extraction Compression and Acceleration of High Line Charge Density Ion Beams

CERN Document Server

Henestroza, Enrique; Grote, D P; Peters, Craig; Yu, Simon

2005-01-01

HEDP applications require high line charge density ion beams. An efficient method to obtain this type of beams is to extract a long pulse, high current beam from a gun at high energy, and let the beam pass through a decelerating field to compress it. The low energy beam bunch is loaded into a solenoid and matched to a Brillouin flow. The Brillouin equilibrium is independent of the energy if the relationship between the beam size (a), solenoid magnetic field strength (B) and line charge density is such that (Ba)2

Proton surface charge determination in Spodosol horizons with organically bound aluminum

Science.gov (United States)

Skyllberg, Ulf; Borggaard, Ole K.

1998-05-01

Net proton surface charge densities were determined in O, E, Bh, and Bs horizons of a sandy till, Spodosol from Denmark, by means of acid-base titration combined with ion adsorption in 0.005 M Ca(NO 3) 2 and independent permanent charge determination. The release of organic anions exceeded the adsorption of NO 3-, resulting in a desorption of anions in all horizons. Data were found to obey the law of balance between surface charges and adsorbed ions only when charges pertaining to Al and organic anions released during the titration experiments were accounted for, in addition to charges pertaining the potential determining ions (PDI) H + and OH - and the index ions Ca 2+ and NO 3-. It was furthermore shown that the point of zero net proton charge (PZNPC) in soils highly depends on the concentration of organically bound Al. Approaches previously used in soils, in which adsorbed Al n+ has been ignored (i.e., considered equivalent to nH + as a PDI), resulted in a PZNPC of 4.1 in the Bs horizon. If instead organically bound Al was accounted for as a counter-ion similar to 3/2Ca 2+, a PZNPC of 2.9 was obtained for the same Bs horizon. Based on PZNPC values estimated by the latter approach, combined with a weak-acid analog, it was shown that organic proton surface charges buffered pH with a similar intensity in the O, E, Bh, and Bs horizons of this study. Because the acidity of Al adsorbed to conjugate bases of soil organic acids is substantially weaker than the acidity of the corresponding protonated form of the organic acids, the point of zero net proton charge (PZNPC) will increase if the concentration of organically adsorbed Al increases at the expense of adsorbed H. This means that PZNPC values determined for soils with unknown concentrations of organically adsorbed Al are highly operational and not very meaningful as references.

Effects of charge density and hydrophobicity of poly(amido amine)s for non-viral gene delivery

NARCIS (Netherlands)

Piest, Martin; Engbersen, Johannes F.J.

2010-01-01

High cationic charge densities in polymeric vectors result in tight DNA condensation, leading to small highly positively charged polyplexes which show generally high cellular uptake in vitro. However, high cationic charge densities also introduce membrane-disruptive properties to the polymers,

The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

Energy Technology Data Exchange (ETDEWEB)

Sundararaman, Ravishankar; Goddard, William A. [Joint Center for Artificial Photosynthesis, Pasadena, California 91125 (United States)

2015-02-14

Many important applications of electronic structure methods involve molecules or solid surfaces in a solvent medium. Since explicit treatment of the solvent in such methods is usually not practical, calculations often employ continuum solvation models to approximate the effect of the solvent. Previous solvation models either involve a parametrization based on atomic radii, which limits the class of applicable solutes, or based on solute electron density, which is more general but less accurate, especially for charged systems. We develop an accurate and general solvation model that includes a cavity that is a nonlocal functional of both solute electron density and potential, local dielectric response on this nonlocally determined cavity, and nonlocal approximations to the cavity-formation and dispersion energies. The dependence of the cavity on the solute potential enables an explicit treatment of the solvent charge asymmetry. With four parameters per solvent, this “CANDLE” model simultaneously reproduces solvation energies of large datasets of neutral molecules, cations, and anions with a mean absolute error of 1.8 kcal/mol in water and 3.0 kcal/mol in acetonitrile.

Accurate Charge Densities from Powder Diffraction

DEFF Research Database (Denmark)

Bindzus, Niels; Wahlberg, Nanna; Becker, Jacob

Synchrotron powder X-ray diffraction has in recent years advanced to a level, where it has become realistic to probe extremely subtle electronic features. Compared to single-crystal diffraction, it may be superior for simple, high-symmetry crystals owing to negligible extinction effects and minimal...... peak overlap. Additionally, it offers the opportunity for collecting data on a single scale. For charge densities studies, the critical task is to recover accurate and bias-free structure factors from the diffraction pattern. This is the focal point of the present study, scrutinizing the performance...

Emergence of charge density waves and a pseudogap in single-layer TiTe2.

Science.gov (United States)

Chen, P; Pai, Woei Wu; Chan, Y-H; Takayama, A; Xu, C-Z; Karn, A; Hasegawa, S; Chou, M Y; Mo, S-K; Fedorov, A-V; Chiang, T-C

2017-09-11

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermi level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.Due to reduced dimensionality, the properties of 2D materials are often different from their 3D counterparts. Here, the authors identify the emergence of a unique charge density wave (CDW) order in monolayer TiTe 2 that challenges the current understanding of CDW formation.

Do plasma proteins distinguish between liposomes of varying charge density?

KAUST Repository

Capriotti, Anna Laura; Caracciolo, Giulio; Cavaliere, Chiara; Foglia, Patrizia; Pozzi, Daniela; Samperi, Roberto; Laganà , Aldo

2012-01-01

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

Spatial charge motion on an uniform density matrix-general equations in opened and closed circuits

International Nuclear Information System (INIS)

Aguiar Monsanto, S. de.

1983-01-01

The motion of a space charge cloud embedded in a matrix of constant immobile charge density is studied in open as well as in closed circuit. In the first case, open circuit, the solution is almost trivial as compared as the other one in which, after some work, the problem is reduced to an ordinary differential equation. The method of solution is parallel to that employed in the study of monopolar free space charge motion. The voltage and the current produced by a system with no net charge but with unbalanced local charge density were calculated using the general equations derived in the first part of the work. (Author) [pt

Studies on density dependence of charge separation in a direct energy converter using slanted Cusp magnetic field

International Nuclear Information System (INIS)

Munakata, Yoshiro; Kawaguchi, Takashi; Takeno, Hiromasa; Yasaka, Yasuyoshi; Ichimura, Kazuya; Nakashima, Yousuke

2012-01-01

In an advanced fusion, fusion-produced charged particles must be separated from each other for efficient energy conversion to electricity. The CuspDEC performs this function of separation and direct energy conversion. Analysis of working characteristics of CuspDEC on plasma density is an important subject. This paper summarizes and discusses experimental and theoretical works for high density plasma by using a small scale experimental device employing a slanted cusp magnetic field. When the incident plasma is low-density, good separation of the charged particles can be accomplished and this is explained by the theory based on a single particle motion. In high density plasma, however, this theory cannot be always applied due to space charge effects. In the experiment, as gradient of the field line increases, separation capability of the charged particles becomes higher. As plasma density becomes higher, however, separation capability becomes lower. This can be qualitatively explained by using calculations of the modified Störmer potential including space charge potential. (author)

Improving energy conversion efficiency for triboelectric nanogenerator with capacitor structure by maximizing surface charge density.

Science.gov (United States)

He, Xianming; Guo, Hengyu; Yue, Xule; Gao, Jun; Xi, Yi; Hu, Chenguo

2015-02-07

Nanogenerators with capacitor structures based on piezoelectricity, pyroelectricity, triboelectricity and electrostatic induction have been extensively investigated. Although the electron flow on electrodes is well understood, the maximum efficiency-dependent structure design is not clearly known. In this paper, a clear understanding of triboelectric generators with capacitor structures is presented by the investigation of polydimethylsiloxane-based composite film nanogenerators, indicating that the generator, in fact, acts as both an energy storage and output device. Maximum energy storage and output depend on the maximum charge density on the dielectric polymer surface, which is determined by the capacitance of the device. The effective thickness of polydimethylsiloxane can be greatly reduced by mixing a suitable amount of conductive nanoparticles into the polymer, through which the charge density on the polymer surface can be greatly increased. This finding can be applied to all the triboelectric nanogenerators with capacitor structures, and it provides an important guide to the structural design for nanogenerators. It is demonstrated that graphite particles with sizes of 20-40 nm and 3.0% mass mixed into the polydimethylsiloxane can reduce 34.68% of the effective thickness of the dielectric film and increase the surface charges by 111.27% on the dielectric film. The output power density of the triboelectric nanogenerator with the composite polydimethylsiloxane film is 3.7 W m(-2), which is 2.6 times as much as that of the pure polydimethylsiloxane film.

The density functional theory and the charged fluid molecular dynamics

International Nuclear Information System (INIS)

Hansen, J.P.; Zerah, G.

1993-01-01

Car and Parrinello had the idea of combining the density functional theory (Hohenberg, Kohn and Sham) to the 'molecular dynamics' numerical modelling method, in order to simulate metallic or co-valent solids and liquids from the first principles. The objective of this paper is to present a simplified version of this method ab initio, applicable to classical and quantal charged systems. The method is illustrated with recent results on charged colloidal suspensions and highly correlated electron-proton plasmas. 1 fig., 21 refs

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.

Scattered surface charge density: A tool for surface characterization

KAUST Repository

Naydenov, Borislav; Mantega, Mauro; Rungger, Ivan; Sanvito, Stefano; Boland, John J.

2011-01-01

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.

Robust statistical reconstruction for charged particle tomography

Science.gov (United States)

Schultz, Larry Joe; Klimenko, Alexei Vasilievich; Fraser, Andrew Mcleod; Morris, Christopher; Orum, John Christopher; Borozdin, Konstantin N; Sossong, Michael James; Hengartner, Nicolas W

2013-10-08

Systems and methods for charged particle detection including statistical reconstruction of object volume scattering density profiles from charged particle tomographic data to determine the probability distribution of charged particle scattering using a statistical multiple scattering model and determine a substantially maximum likelihood estimate of object volume scattering density using expectation maximization (ML/EM) algorithm to reconstruct the object volume scattering density. The presence of and/or type of object occupying the volume of interest can be identified from the reconstructed volume scattering density profile. The charged particle tomographic data can be cosmic ray muon tomographic data from a muon tracker for scanning packages, containers, vehicles or cargo. The method can be implemented using a computer program which is executable on a computer.

Transverse charge and magnetization densities in the nucleon's chiral periphery

Energy Technology Data Exchange (ETDEWEB)

Granados, Carlos G. [JLAB Newport News, VA (United States); Weiss, Christian [JLAB Newport News, VA (United States)

2014-01-01

In the light-front description of nucleon structure the electromagnetic form factors are expressed in terms of frame-independent transverse densities of charge and magnetization. Recent work has studied the transverse densities at peripheral distances b = O(M{pi}{sup -1}), where they are governed by universal chiral dynamics and can be computed in a model-independent manner. Of particular interest is the comparison of the peripheral charge and magnetization densities. We summarize (a) their interpretation as spin-independent and -dependent current matrix elements; (b) the leading-order chiral effective field theory results; (c) their mechanical interpretation in the light-front formulation; (d) the large-N_c limit of QCD and the role of {Delta} intermediate states; (e) the connection with generalized parton distributions and peripheral high-energy scattering processes.

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.

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

KAUST Repository

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

2015-01-01

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

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.)

Optical properties of two-dimensional charge density wave materials

Science.gov (United States)

Sayers, Charles; Karbassi, Sara; Friedemann, Sven; da Como, Enrico

Titanium diselenide (TiSe2) is a member of the layered transition metal dichalcogenide (TMD) materials. It exhibits unusual chiral charge ordering below 190 K after undergoing an initial phase transition to a commensurate (2 x 2 x 2) charge density wave (CDW) at 200 K which is enhanced further in the monolayer. Recently, the first evidence of chirality in a CDW system was discovered in this material by scanning tunneling microscopy and time-resolved reflectivity experiments, where separate left and right handed charge-ordered domains were found to exist within a single sample. We have prepared single crystals of 1T-TiSe2 using iodine vapour transport, and confirmed their quality by x-ray analysis and charge transport measurements. Using a combination of polarised optical spectroscopy techniques in the mid to far infrared (4 to 700 meV photon energy), we have measured an anisotropy relating to the CDW gap. We discuss the results on the basis of chiral domains with different handedness and the nature of the CDW transition.

Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: a partially perturbative density functional theory study.

Science.gov (United States)

Peng, Bo; Yu, Yang-Xin

2009-10-07

The structural and thermodynamic properties for charge symmetric and asymmetric electrolytes as well as mixed electrolyte system inside a charged cylindrical nanopore are investigated using a partially perturbative density functional theory. The electrolytes are treated in the restricted primitive model and the internal surface of the cylindrical nanopore is considered to have a uniform charge density. The proposed theory is directly applicable to the arbitrary mixed electrolyte solution containing ions with the equal diameter and different valences. Large amount of simulation data for ion density distributions, separation factors, and exclusion coefficients are used to determine the range of validity of the partially perturbative density functional theory for monovalent and multivalent counterion systems. The proposed theory is found to be in good agreement with the simulations for both mono- and multivalent counterion systems. In contrast, the classical Poisson-Boltzmann equation only provides reasonable descriptions of monovalent counterion system at low bulk density, and is qualitatively and quantitatively wrong in the prediction for the multivalent counterion systems due to its neglect of the strong interionic correlations in these systems. The proposed density functional theory has also been applied to an electrolyte absorbed into a pore that is a model of the filter of a physiological calcium channel.

Higgs-mode radiance and charge-density-wave order in 2 H -NbSe2

Science.gov (United States)

Grasset, Romain; Cea, Tommaso; Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain; Cario, Laurent; Benfatto, Lara; Méasson, Marie-Aude

2018-03-01

Despite being usually considered two competing phenomena, charge-density wave and superconductivity coexist in few systems, the most emblematic one being the transition-metal dichalcogenide 2 H -NbSe2 . This unusual condition is responsible for specific Raman signatures across the two phase transitions in this compound. While the appearance of a soft phonon mode is a well-established fingerprint of the charge-density-wave order, the nature of the sharp subgap mode emerging below the superconducting temperature is still under debate. In this work we use external pressure as a knob to unveil the delicate interplay between the two orders, and consequently the nature of the superconducting mode. Thanks to an advanced extreme-conditions Raman technique, we are able to follow the pressure evolution and the simultaneous collapse of the two intertwined charge-density-wave and superconducting modes. The comparison with microscopic calculations in a model system supports the Higgs-type nature of the superconducting mode and suggests that charge-density wave and superconductivity in 2 H -NbSe2 involve mutual electronic degrees of freedom. These findings fill the knowledge gap on the electronic mechanisms at play in transition-metal dichalcogenides, a crucial step to fully exploit their properties in few-layer systems optimized for device applications.

Transition from Fowler-Nordheim field emission to space charge limited current density

International Nuclear Information System (INIS)

Feng, Y.; Verboncoeur, J. P.

2006-01-01

The Fowler-Nordheim law gives the current density extracted from a surface under strong fields, by treating the emission of electrons from a metal-vacuum interface in the presence of an electric field normal to the surface as a quantum mechanical tunneling process. Child's law predicts the maximum transmitted current density by considering the space charge effect. When the electric field becomes high enough, the emitted current density will be limited by Child's law. This work analyzes the transition of the transmitted current density from the Fowler-Nordheim law to Child's law space charge limit using a one-dimensional particle-in-cell code. Also studied is the response of the emission model to strong electric fields near the transition point. We find the transition without geometrical effort is smooth and much slower than reported previously [J. P. Barbour, W. W. Dolan, J. K. Trolan, E. E. Martin, and W. P. Dyke, Phys. Rev. 92, 45 (1953)]. We analyze the effects of geometric field enhancement and work function on the transition. Using our previous model for effective field enhancement [Y. Feng and J. P. Verboncoeur, Phys. Plasmas 12, 103301 (2005)], we find the geometric effect dominates, and enhancement β>10 can accelerate the approach to the space charge limit at practical electric field. A damped oscillation near the local plasma frequency is observed in the transient system response

Determination of charged particle beam parameters with taking into account of space charge

International Nuclear Information System (INIS)

Ishkhanov, B.S.; Poseryaev, A.V.; Shvedunov, V.I.

2005-01-01

One describes a procedure to determine the basic parameters of a paraxial axially-symmetric beam of charged particles taking account of space charge contribution. The described procedure is based on application of the general equation for beam envelope. Paper presents data on its convergence and resistance to measurement errors. The position determination error of crossover (stretching) and radius of beam in crossover is maximum 15% , while the emittance determination error depends on emittance and space charge correlation. The introduced procedure was used to determine parameters of the available electron gun 20 keV energy beam with 0.64 A current. The derived results turned to agree closely with the design parameters [ru

Pair-density waves, charge-density waves, and vortices in high-Tc cuprates

Science.gov (United States)

Dai, Zhehao; Zhang, Ya-Hui; Senthil, T.; Lee, Patrick A.

2018-05-01

A recent scanning tunneling microscopy (STM) experiment reports the observation of a charge-density wave (CDW) with a period of approximately 8a in the halo region surrounding the vortex core, in striking contrast to the approximately 4a period CDWs that are commonly observed in the cuprates. Inspired by this work, we study a model where a bidirectional pair-density wave (PDW) with period 8 is at play. This further divides into two classes: (1) where the PDW is a competing state of the d -wave superconductor and can exist only near the vortex core where the d -wave order is suppressed and (2) where the PDW is the primary order, the so-called "mother state" that persists with strong phase fluctuations to high temperature and high magnetic field and lies behind the pseudogap phenomenology. We study the charge-density wave structures near the vortex core in these models. We emphasize the importance of the phase winding of the d -wave order parameter. The PDW can be pinned by the vortex core due to this winding and become static. Furthermore, the period-8 CDW inherits the properties of this winding, which gives rise to a special feature of the Fourier transform peak, namely, it is split in certain directions. There is also a line of zeros in the inverse Fourier transform of filtered data. We propose that these are key experimental signatures that can distinguish between the PDW-driven scenario from the more mundane option that the period-8 CDW is primary. We discuss the pro's and con's of the options considered above. Finally, we attempt to place the STM experiment in the broader context of pseudogap physics of underdoped cuprates and relate this observation to the unusual properties of x-ray scattering data on CDW carried out to very high magnetic field.

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.

Charge-density-wave instabilities expected in monophosphate tungsten bronzes

International Nuclear Information System (INIS)

Canadell, E.; Whangbo, M.

1991-01-01

On the basis of tight-binding band calculations, we examined the electronic structures of the tungsten oxide layers found in the monophosphate tungsten bronze (MPTB) phases. The Fermi surfaces of these MPTB phases consist of five well-nested one- and two-dimensional pieces. We calculated the nesting vectors of these Fermi surfaces and discussed the expected charge-density-wave instabilities

Mode locking in overdamped charge-density-wave systems

International Nuclear Information System (INIS)

Alstroem, P.; Levinsen, M.T.

1988-01-01

We show that the rich mode-locking structure observed in overdamped charge-density-wave (CDW) systems can be understood in terms of a simple model of driven damped 'particles' without inertia in a non-sinusoidal periodic potential. The analysis shows that the nonchaotic system of a driven overdamped CDW without inertia in general has a 'close-to-chaotic' behavior in an appropriate frequency range. Our results also provide a natural basis for studies of spatially extended CDW systems. (orig.)

Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction.

Science.gov (United States)

Yang, Yang; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

2007-10-25

The standard self-consistent-charge density-functional-tight-binding (SCC-DFTB) method (Phys. Rev. B 1998, 58, 7260) is derived by a second-order expansion of the density functional theory total energy expression, followed by an approximation of the charge density fluctuations by charge monopoles and an effective damped Coulomb interaction between the atomic net charges. The central assumptions behind this effective charge-charge interaction are the inverse relation of atomic size and chemical hardness and the use of a fixed chemical hardness parameter independent of the atomic charge state. While these approximations seem to be unproblematic for many covalently bound systems, they are quantitatively insufficient for hydrogen-bonding interactions and (anionic) molecules with localized net charges. Here, we present an extension of the SCC-DFTB method to incorporate third-order terms in the charge density fluctuations, leading to chemical hardness parameters that are dependent on the atomic charge state and a modification of the Coulomb scaling to improve the electrostatic treatment within the second-order terms. These modifications lead to a significant improvement in the description of hydrogen-bonding interactions and proton affinities of biologically relevant molecules.

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

International Nuclear Information System (INIS)

Buividovich, P.V.; Kalaydzhyan, T.; Polikarpov, M.I.

2011-11-01

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.)

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.)

Isovector coupling channel and central properties of the charge density distribution in heavy spherical nuclei

International Nuclear Information System (INIS)

Haddad, S.

2010-01-01

The influence of the isovector coupling channel on the central depression parameter and the central value of the charge density distribution in heavy spherical nuclei was studied. The isovector coupling channel leads to about 50% increase of the central depression parameter, and weakens the dependency of both central depression parameter and the central density on the asymmetry, impressively contributing to the semibubble form of the charge density distribution in heavy nuclei, and increasing the probability of larger nuclei with higher proton numbers and higher neutron-to-proton ratios stable. (author)

DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).

Science.gov (United States)

Gaus, Michael; Cui, Qiang; Elstner, Marcus

2012-04-10

The self-consistent-charge density-functional tight-binding method (SCC-DFTB) is an approximate quantum chemical method derived from density functional theory (DFT) based on a second-order expansion of the DFT total energy around a reference density. In the present study we combine earlier extensions and improve them consistently with, first, an improved Coulomb interaction between atomic partial charges, and second, the complete third-order expansion of the DFT total energy. These modifications lead us to the next generation of the DFTB methodology called DFTB3, which substantially improves the description of charged systems containing elements C, H, N, O, and P, especially regarding hydrogen binding energies and proton affinities. As a result, DFTB3 is particularly applicable to biomolecular systems. Remaining challenges and possible solutions are also briefly discussed.

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...

Specific effect of the linear charge density of the acid polysaccharide on thermal aggregation/ disaggregation processes in complex carrageenan/lysozyme systems

NARCIS (Netherlands)

Antonov, Y.; Zhuravleva, I.; Cardinaels, R.M.; Moldenaers, P.

2017-01-01

We study thermal aggregation and disaggregation processes in complex carrageenan/lysozyme systems with a different linear charge density of the sulphated polysaccharide. To this end, we determine the temperature dependency of the turbidity and the intensity size distribution functions in complex

Development and Application of a Wireless Sensor for Space Charge Density Measurement in an Ultra-High-Voltage, Direct-Current Environment.

Science.gov (United States)

Xin, Encheng; Ju, Yong; Yuan, Haiwen

2016-10-20

A space charge density wireless measurement system based on the idea of distributed measurement is proposed for collecting and monitoring the space charge density in an ultra-high-voltage direct-current (UHVDC) environment. The proposed system architecture is composed of a number of wireless nodes connected with space charge density sensors and a base station. The space charge density sensor based on atmospheric ion counter method is elaborated and developed, and the ARM microprocessor and Zigbee radio frequency module are applied. The wireless network communication quality and the relationship between energy consumption and transmission distance in the complicated electromagnetic environment is tested. Based on the experimental results, the proposed measurement system demonstrates that it can adapt to the complex electromagnetic environment under the UHVDC transmission lines and can accurately measure the space charge density.

Describing long-range charge-separation processes with subsystem density-functional theory

Energy Technology Data Exchange (ETDEWEB)

Solovyeva, Alisa; Neugebauer, Johannes, E-mail: j.neugebauer@uni-muenster.de [Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Simulation, Westfälische Wilhelms-Universität Münster, Corrensstraße 40, 48149 Münster (Germany); Pavanello, Michele, E-mail: m.pavanello@rutgers.edu [Department of Chemistry, Rutgers University, 73 Warren St., Newark, New Jersey 07102 (United States)

2014-04-28

Long-range charge-transfer processes in extended systems are difficult to describe with quantum chemical methods. In particular, cost-effective (non-hybrid) approximations within time-dependent density functional theory (DFT) are not applicable unless special precautions are taken. Here, we show that the efficient subsystem DFT can be employed as a constrained DFT variant to describe the energetics of long-range charge-separation processes. A formal analysis of the energy components in subsystem DFT for such excitation energies is presented, which demonstrates that both the distance dependence and the long-range limit are correctly described. In addition, electronic couplings for these processes as needed for rate constants in Marcus theory can be obtained from this method. It is shown that the electronic structure of charge-separated states constructed by a positively charged subsystem interacting with a negatively charged one is difficult to converge — charge leaking from the negative subsystem to the positive one can occur. This problem is related to the delocalization error in DFT and can be overcome with asymptotically correct exchange–correlation (XC) potentials or XC potentials including a sufficiently large amount of exact exchange. We also outline an approximate way to obtain charge-transfer couplings between locally excited and charge-separated states.

Describing long-range charge-separation processes with subsystem density-functional theory

International Nuclear Information System (INIS)

Solovyeva, Alisa; Neugebauer, Johannes; Pavanello, Michele

2014-01-01

Long-range charge-transfer processes in extended systems are difficult to describe with quantum chemical methods. In particular, cost-effective (non-hybrid) approximations within time-dependent density functional theory (DFT) are not applicable unless special precautions are taken. Here, we show that the efficient subsystem DFT can be employed as a constrained DFT variant to describe the energetics of long-range charge-separation processes. A formal analysis of the energy components in subsystem DFT for such excitation energies is presented, which demonstrates that both the distance dependence and the long-range limit are correctly described. In addition, electronic couplings for these processes as needed for rate constants in Marcus theory can be obtained from this method. It is shown that the electronic structure of charge-separated states constructed by a positively charged subsystem interacting with a negatively charged one is difficult to converge — charge leaking from the negative subsystem to the positive one can occur. This problem is related to the delocalization error in DFT and can be overcome with asymptotically correct exchange–correlation (XC) potentials or XC potentials including a sufficiently large amount of exact exchange. We also outline an approximate way to obtain charge-transfer couplings between locally excited and charge-separated states

Crystal structure and charge density analysis of Li2NH by synchrotron X-ray diffraction

International Nuclear Information System (INIS)

Noritake, T.; Nozaki, H.; Aoki, M.; Towata, S.; Kitahara, G.; Nakamori, Y.; Orimo, S.

2005-01-01

Complex hydrides, such as lithium amide (LiNH 2 ) and lithium imide (Li 2 NH), have recently been noticed as one of the most promising materials for reversible hydrogen storage. In this paper, we reveal the bonding nature of hydrogen in Li 2 NH crystal by synchrotron powder X-ray diffraction measurement at room temperature. The crystal structure was refined by Rietveld method and the charge density distribution was analyzed by maximum entropy method (MEM). The Li 2 NH crystal is anti-fluorite type structure (space group Fm3-bar m) consisting of Li and NH. Hydrogen atom occupies randomly the 48h (Wyckoff notation) sites around N atom. The refined lattice constant is a=5.0742(2)A. The charge density distribution around NH anion in Li 2 NH is almost spherical. The number of electrons within the sphere around the Li and NH is estimated from the obtained charge density distribution. As the result, the ionic charge is expressed as [Li 0.99+ ] 2 [NH] 1.21- . Therefore, it is confirmed experimentally that Li 2 NH is ionically bonded

Azimuthal asymmetries of the charged particle densities in EAS in the range of KASCADE-Grande

International Nuclear Information System (INIS)

Sima, O.; Morariu, C.; Manailescu, C.; Rebel, H.; Haungs, A.

2009-03-01

The reconstruction of Extended Air Showers (EAS) observed by ground level particle detectors is based on the characteristics of observables like particle lateral density (PLD), arrival time signals etc. Lateral densities, inferred from detector data, are usually parameterized by applying various lateral distribution functions (LDF). The LDFs are used in turn for evaluating quantities like the total number of particles, the density at particular radial distances. Typical expressions for LDFs anticipate azimuthal symmetry of the density around the shower axis. The deviations of the particle lateral density from this assumption are smoothed out in the case of compact arrays like KASCADE, but not in the case of arrays like Grande, which only sample a smaller part of the azimuthal variation. In this report we discuss the origin of the asymmetry: geometric, attenuation and geomagnetic effects. Geometric effects occur in the case of inclined showers, due to the fact that the observations are made in a plane different from the intrinsic shower plane. Hence the projection procedure from the observational plane to the relevant normal shower plane plays a significant role. Attenuation effects arise from the differences between the distances travelled by particles that reach the ground at the same radial coordinate but with various azimuthal positions in the case of inclined showers. The influence of the geomagnetic field distorts additionally the charged particle distributions in a way specific to the geomagnetic location. Based on dedicated CORSIKA simulations we have evaluated the magnitude of the effects. Focused to geometric and attenuation effects, procedures for minimizing the effects of the azimuthal asymmetry of lateral density in the intrinsic shower plane were developed. The consequences of the reconstruction of the charge particle sizes determined with the Grande array are also discussed and a procedure for practical application of restoring the azimuthal symmetry

Method of measuring a profile of the density of charged particles in a particle beam

International Nuclear Information System (INIS)

Hyman, L.G.; Jankowski, D.J.

1975-01-01

A profile of the relative density of charged particles in a beam is obtained by disposing a number of rods parallel to each other in a plane perpendicular to the beam and shadowing the beam. A second number of rods is disposed perpendicular to the first rods in a plane perpendicular to the beam and also shadowing the beam. Irradiation of the rods by the beam of charged particles creates radioactive isotopes in a quantity proportional to the number of charged particles incident upon the rods. Measurement of the radioactivity of each of the rods provides a measure of the quantity of radioactive material generated thereby and, together with the location of the rods, provides information sufficient to identify a profile of the density of charged particles in the beam

Modeling charged defects inside density functional theory band gaps

International Nuclear Information System (INIS)

Schultz, Peter A.; Edwards, Arthur H.

2014-01-01

Density functional theory (DFT) has emerged as an important tool to probe microscopic behavior in materials. The fundamental band gap defines the energy scale for charge transition energy levels of point defects in ionic and covalent materials. The eigenvalue gap between occupied and unoccupied states in conventional DFT, the Kohn–Sham gap, is often half or less of the experimental band gap, seemingly precluding quantitative studies of charged defects. Applying explicit and rigorous control of charge boundary conditions in supercells, we find that calculations of defect energy levels derived from total energy differences give accurate predictions of charge transition energy levels in Si and GaAs, unhampered by a band gap problem. The GaAs system provides a good theoretical laboratory for investigating band gap effects in defect level calculations: depending on the functional and pseudopotential, the Kohn–Sham gap can be as large as 1.1 eV or as small as 0.1 eV. We find that the effective defect band gap, the computed range in defect levels, is mostly insensitive to the Kohn–Sham gap, demonstrating it is often possible to use conventional DFT for quantitative studies of defect chemistry governing interesting materials behavior in semiconductors and oxides despite a band gap problem

The interaction between theory and experiment in charge density analysis

International Nuclear Information System (INIS)

Coppens, Phillip

2013-01-01

The field of x-ray charge density analysis has gradually morphed into an area benefiting from the strong interactions between theoreticians and experimentalists, leading to new concepts on chemical bonding and of intermolecular interactions in condensed phases. Some highlights of the developments culminating in the 2013 Aminoff Award are described in this paper. (comment)

High density thermite mixture for shaped charge ordnance disposal

OpenAIRE

Tamer Elshenawy; Salah Soliman; Ahmed Hawass

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...

Narrowband noise study of sliding charge density waves in NbSe3 nanoribbons

Science.gov (United States)

Onishi, Seita; Jamei, Mehdi; Zettl, Alex

2017-02-01

Transport properties (dc electrical resistivity, threshold electric field, and narrow-band noise) are reported for nanoribbon specimens of NbSe3 with thicknesses as low as 18 nm. As the sample thickness decreases, the resistive anomalies characteristic of the charge density wave (CDW) state are suppressed and the threshold fields for nonlinear CDW conduction apparently diverge. Narrow-band noise measurements allow determination of the concentration of carriers condensed in the CDW state n c , reflective of the CDW order parameter Δ. Although the CDW transition temperatures are relatively independent of sample thickness, in the lower CDW state Δ decreases dramatically with decreasing sample thickness.

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

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

.5×107 V m-1. Current density was also measured as a function of temperature and field. Space charge due exclusively to the temperature gradient was detected, with density of order 0.01 C m-3. The activation energy associated with the transport of electrons through the bulk was calculated as 0.09 e...

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

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality.

Science.gov (United States)

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-27

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high T_{c} superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality

Science.gov (United States)

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-01

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high Tc superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

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.

Sum rules for charge transition density

Energy Technology Data Exchange (ETDEWEB)

Gul' karov, I S [Tashkentskij Politekhnicheskij Inst. (USSR)

1979-01-01

The form factors of the quadrupole and octupole oscillations of the /sup 12/C nucleus are compared with the predictions of the sum rules for the charge transition density (CTD). These rules allow one to obtain various CTDs which contain the components k: r/sup lambda + 2k-2/rho(r) and r/sup lambda + 2k-1)(drho(r)/dr) (k = 0, 1, 2...) and can be applied to analyze the inelastic scattering of high energy particles by nuclei. It is shown that the CTD under consideration have different radius dependence and describe the data essentially better (though ambiguously) than the Tassy and Steinwedel-Jensen models do. Recurrence formulas are derived for the ratios of the higher-order transition matrix elements and CTD. These formulas can be used to predict the CTD behavior for highly excited nuclear states.

Effects of fibre dimension and charge density on nanocellulose gels.

Science.gov (United States)

Mendoza, Llyza; Gunawardhana, Thilina; Batchelor, Warren; Garnier, Gil

2018-04-18

Carboxylated cellulose nanofibres can produce gels at low concentrations. The effect of pulp source on the nanocellulose fibre dimension and gel rheology are studied. It is hypothesised that fibre length and surface charge influence aspects of the gel rheological properties. TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl)- mediated oxidised cellulose nanofibres from never-dried hardwood and softwood pulp and containing different charge levels were produced and characterized. Steady-state and dynamic rheological studies were performed to ascertain the effects of pulp type on gel behavior and properties. Nanocellulose fibres extracted from softwood (SW-TOCN) and hardwood (HW-TOCN) pulp exhibit similar widths but different length dimensions as shown via AFM analysis. Rheological measurements show that the dynamic moduli (G' and G'') of nanocellulose gels are independent of pulp source and are mostly influenced by fibre concentration. Differences in the steady-state behavior (i.e. viscosity) at constant surface charge can be attributed to differences in fibre length. Increasing the surface charge density influences the critical strain and the viscosity at the percolation concentration (0.1 wt%) due to higher electrostatic interactions. Crown Copyright © 2018. Published by Elsevier Inc. All rights reserved.

Conformations of polyelectrolyte macromolecules with different charge density in solutions of different ionic strengths

International Nuclear Information System (INIS)

Dommes, O A; Okatova, O V; Pavlov, G M

2016-01-01

Studies of charged polymer chains are interesting in both fundamental and applied aspects. Especially, polyelectrolytes attract huge attention of researchers due to their ability to form interpolymer complexes with synthetic and biopolymers. The study was carried out on the fractions of hydrophilic copolymers of N-methyl-N-vinyl acetamide and N-methyl-N-vinyl amine hydrochloride of different degrees of polymerization and of different charge density using methods of molecular hydrodynamics. Hydrodynamic and conformational characteristics as well as molar masses of isolated molecules were estimated. In addition, the intrinsic viscosity of fractions was studied at the extreme ionic strengths - in distilled water (∼10 -6 M) and in 6M NaCl. Scaling relations for intrinsic viscosity, sedimentation and translational diffusion coefficients with molar mass were obtained. Conformational behavior of macromolecules with different linear charge density was compared. (paper)

Transversely driven charge density waves in NbSe3

International Nuclear Information System (INIS)

Markovic, N.; Dohmen, M.A.H.; Zant, H.S.J. van der

1999-01-01

We have studied the charge density wave (CDW) transport in the presence of a single-particle current flowing transversely to the sliding direction of the CDW. The depinning threshold field was found to decrease exponentially with the transverse current, allowing the CDWs to slide even at very low bias fields. The CDW transport is ohmic in this novel, nonequilibrium regime. The results from thin NbSe 3 crystals are in excellent agreement with recent theoretical predictions. (orig.)

The determination of nuclear charge distributions using a Bayesian maximum entropy method

International Nuclear Information System (INIS)

Macaulay, V.A.; Buck, B.

1995-01-01

We treat the inference of nuclear charge densities from measurements of elastic electron scattering cross sections. In order to get the most reliable information from expensively acquired, incomplete and noisy measurements, we use Bayesian probability theory. Very little prior information about the charge densities is assumed. We derive a prior probability distribution which is a generalization of a form used widely in image restoration based on the entropy of a physical density. From the posterior distribution of possible densities, we select the most probable one, and show how error bars can be evaluated. These have very reasonable properties, such as increasing without bound as hypotheses about finer scale structures are included in the hypothesis space. The methods are demonstrated by using data on the nuclei 4 He and 12 C. (orig.)

Charge transport in disordered organic host-guest systems: effects of carrier density and electric field

NARCIS (Netherlands)

Yimer, Y.Y.; Bobbert, P.A.; Coehoorn, R.

2008-01-01

We investigate charge transport in disordered organic host–guest systems with a bimodal Gaussian density of states (DOS). The energy difference between the two Gaussians defines the trap depth. By solving the Pauli master equation for the hopping of charge carriers on a regular lattice with site

Superconducting and charge density wave transition in single crystalline LaPt2Si2

Science.gov (United States)

Gupta, Ritu; Dhar, S. K.; Thamizhavel, A.; Rajeev, K. P.; Hossain, Z.

2017-06-01

We present results of our comprehensive studies on single crystalline LaPt2Si2. Pronounced anomaly in electrical resistivity and heat capacity confirms the bulk nature of superconductivity (SC) and charge density wave (CDW) transition in the single crystals. While the charge density wave transition temperature is lower, the superconducting transition temperature is higher in single crystal compared to the polycrystalline sample. This result confirms the competing nature of CDW and SC. Another important finding is the anomalous temperature dependence of upper critical field H C2(T). We also report the anisotropy in the transport and magnetic measurements of the single crystal.

Charge Energy Transport in Hopping Systems with Rapidly Decreasing Density of States

Science.gov (United States)

Mendels, Dan; Organic Electronics Group Technion Team

2014-03-01

An accurate description of the carrier hopping topology in the energy domain of hopping systems incorporating a rapidly decreasing density of states and the subsequent energetic position of these systems' so called effective conduction band is crucial for rationalizing and quantifying these systems' thermo-electric properties, doping related phenomena and carrier gradient effects such as the emergence of the General Einstein Relation under degenerate conditions. Additionally, as will be shown, the 'mobile' carriers propagating through the system can have excess energies reaching 0.3eV above the system quasi-Fermi energy. Hence, since these mobile carriers are most prone to reach systems interfaces and interact with oppositely charged carriers, their excess energy should be considered in determining the efficiencies of energy dependent processes such as carrier recombination and exciton dissociation. In light of the stated motivations, a comprehensive numerical and analytical study of the topology of hopping in the energetic density of such systems (i.e. the statistics regarding which energy values carriers visit most and in what manner) was implemented and the main statistical features of the hopping process that determine the position in energy of the system's effective conduction band were distilled. The obtained results also help shed light on yet to be elucidated discrepancies between predictions given by the widely employed transport energy concept and Monte Carlo simulations.

Nonlocal and Nonadiabatic Effects in the Charge-Density Response of Solids: A Time-Dependent Density-Functional Approach

Science.gov (United States)

Panholzer, Martin; Gatti, Matteo; Reining, Lucia

2018-04-01

The charge-density response of extended materials is usually dominated by the collective oscillation of electrons, the plasmons. Beyond this feature, however, intriguing many-body effects are observed. They cannot be described by one of the most widely used approaches for the calculation of dielectric functions, which is time-dependent density functional theory (TDDFT) in the adiabatic local density approximation (ALDA). Here, we propose an approximation to the TDDFT exchange-correlation kernel which is nonadiabatic and nonlocal. It is extracted from correlated calculations in the homogeneous electron gas, where we have tabulated it for a wide range of wave vectors and frequencies. A simple mean density approximation allows one to use it in inhomogeneous materials where the density varies on a scale of 1.6 rs or faster. This kernel contains effects that are completely absent in the ALDA; in particular, it correctly describes the double plasmon in the dynamic structure factor of sodium, and it shows the characteristic low-energy peak that appears in systems with low electronic density. It also leads to an overall quantitative improvement of spectra.

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

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...

Charge transport in disordered organic host-guest systems: effects of carrier density and electric field

NARCIS (Netherlands)

Yimer, Y.Y.; Bobbert, P.A.; Coehoorn, R.

2009-01-01

We investigate charge transport in disordered organic host–guest systems with a bimodal Gaussian density of states. The energy difference between the peaks of the two Gaussians defines the trap depth. By solving the Pauli master equation for the hopping of charge carriers on a regular lattice we

Origin of Superconductivity and Latent Charge Density Wave in NbS2

Science.gov (United States)

Heil, Christoph; Poncé, Samuel; Lambert, Henry; Schlipf, Martin; Margine, Elena R.; Giustino, Feliciano

2017-08-01

We elucidate the origin of the phonon-mediated superconductivity in 2 H -NbS2 using the ab initio anisotropic Migdal-Eliashberg theory including Coulomb interactions. We demonstrate that superconductivity is associated with Fermi surface hot spots exhibiting an unusually strong electron-phonon interaction. The electron-lattice coupling is dominated by low-energy anharmonic phonons, which place the system on the verge of a charge density wave instability. We also provide definitive evidence for two-gap superconductivity in 2 H -NbS2 , and show that the low- and high-energy peaks observed in tunneling spectra correspond to the Γ - and K -centered Fermi surface pockets, respectively. The present findings call for further efforts to determine whether our proposed mechanism underpins superconductivity in the whole family of metallic transition metal dichalcogenides.

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

KAUST Repository

Van Regemorter, Tanguy; Guillaume, Maxime; Sini, Gjergji; Sears, John S.; Geskin, Victor; Bré das, Jean-Luc; Beljonne, David; Cornil, Jé rô me

2012-01-01

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.

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.

Relating saturation capacity to charge density in strong cation exchangers.

Science.gov (United States)

Steinebach, Fabian; Coquebert de Neuville, Bertrand; Morbidelli, Massimo

2017-07-21

In this work the relation between physical and chemical resin characteristics and the total amount of adsorbed protein (saturation capacity) for ion-exchange resins is discussed. Eleven different packing materials with a sulfo-functionalization and one multimodal resin were analyzed in terms of their porosity, pore size distribution, ligand density and binding capacity. By specifying the ligand density and binding capacity by the total and accessible surface area, two different groups of resins were identified: Below a ligand density of approx. 2.5μmol/m 2 area the ligand density controls the saturation capacity, while above this limit the accessible surface area becomes the limiting factor. This results in a maximum protein uptake of around 2.5mg/m 2 of accessible surface area. The obtained results allow estimating the saturation capacity from independent resin characteristics like the saturation capacity mainly depends on "library data" such as the accessible and total surface area and the charge density. Hence these results give an insight into the fundamentals of protein adsorption and help to find suitable resins, thus limiting the experimental effort in early process development stages. Copyright © 2017 Elsevier B.V. All rights reserved.

On the Control of the Fixed Charge Densities in Al2O3-Based Silicon Surface Passivation Schemes.

Science.gov (United States)

Simon, Daniel K; Jordan, Paul M; Mikolajick, Thomas; Dirnstorfer, Ingo

2015-12-30

A controlled field-effect passivation by a well-defined density of fixed charges is crucial for modern solar cell surface passivation schemes. Al2O3 nanolayers grown by atomic layer deposition contain negative fixed charges. Electrical measurements on slant-etched layers reveal that these charges are located within a 1 nm distance to the interface with the Si substrate. When inserting additional interface layers, the fixed charge density can be continuously adjusted from 3.5 × 10(12) cm(-2) (negative polarity) to 0.0 and up to 4.0 × 10(12) cm(-2) (positive polarity). A HfO2 interface layer of one or more monolayers reduces the negative fixed charges in Al2O3 to zero. The role of HfO2 is described as an inert spacer controlling the distance between Al2O3 and the Si substrate. It is suggested that this spacer alters the nonstoichiometric initial Al2O3 growth regime, which is responsible for the charge formation. On the basis of this charge-free HfO2/Al2O3 stack, negative or positive fixed charges can be formed by introducing additional thin Al2O3 or SiO2 layers between the Si substrate and this HfO2/Al2O3 capping layer. All stacks provide very good passivation of the silicon surface. The measured effective carrier lifetimes are between 1 and 30 ms. This charge control in Al2O3 nanolayers allows the construction of zero-fixed-charge passivation layers as well as layers with tailored fixed charge densities for future solar cell concepts and other field-effect based devices.

Imaging Plasma Density Structures in the Soft X-Rays Generated by Solar Wind Charge Exchange with Neutrals

Science.gov (United States)

Sibeck, David G.; Allen, R.; Aryan, H.; Bodewits, D.; Brandt, P.; Branduardi-Raymont, G.; Brown, G.; Carter, J. A.; Collado-Vega, Y. M.; Collier, M. R.; Connor, H. K.; Cravens, T. E.; Ezoe, Y.; Fok, M.-C.; Galeazzi, M.; Gutynska, O.; Holmström, M.; Hsieh, S.-Y.; Ishikawa, K.; Koutroumpa, D.; Kuntz, K. D.; Leutenegger, M.; Miyoshi, Y.; Porter, F. S.; Purucker, M. E.; Read, A. M.; Raeder, J.; Robertson, I. P.; Samsonov, A. A.; Sembay, S.; Snowden, S. L.; Thomas, N. E.; von Steiger, R.; Walsh, B. M.; Wing, S.

2018-06-01

Both heliophysics and planetary physics seek to understand the complex nature of the solar wind's interaction with solar system obstacles like Earth's magnetosphere, the ionospheres of Venus and Mars, and comets. Studies with this objective are frequently conducted with the help of single or multipoint in situ electromagnetic field and particle observations, guided by the predictions of both local and global numerical simulations, and placed in context by observations from far and extreme ultraviolet (FUV, EUV), hard X-ray, and energetic neutral atom imagers (ENA). Each proposed interaction mechanism (e.g., steady or transient magnetic reconnection, local or global magnetic reconnection, ion pick-up, or the Kelvin-Helmholtz instability) generates diagnostic plasma density structures. The significance of each mechanism to the overall interaction (as measured in terms of atmospheric/ionospheric loss at comets, Venus, and Mars or global magnetospheric/ionospheric convection at Earth) remains to be determined but can be evaluated on the basis of how often the density signatures that it generates are observed as a function of solar wind conditions. This paper reviews efforts to image the diagnostic plasma density structures in the soft (low energy, 0.1-2.0 keV) X-rays produced when high charge state solar wind ions exchange electrons with the exospheric neutrals surrounding solar system obstacles. The introduction notes that theory, local, and global simulations predict the characteristics of plasma boundaries such the bow shock and magnetopause (including location, density gradient, and motion) and regions such as the magnetosheath (including density and width) as a function of location, solar wind conditions, and the particular mechanism operating. In situ measurements confirm the existence of time- and spatial-dependent plasma density structures like the bow shock, magnetosheath, and magnetopause/ionopause at Venus, Mars, comets, and the Earth. However, in situ

ChargeOut! : determining machine and capital equipment charge-out rates using discounted cash-flow analysis

Science.gov (United States)

E.M. (Ted) Bilek

2007-01-01

The model ChargeOut! was developed to determine charge-out rates or rates of return for machines and capital equipment. This paper introduces a costing methodology and applies it to a piece of capital equipment. Although designed for the forest industry, the methodology is readily transferable to other sectors. Based on discounted cash-flow analysis, ChargeOut!...

Transportable charge in a periodic alternating gradient system

International Nuclear Information System (INIS)

Lee, E.P.; Fessenden, T.J.; Laslett, L.J.

1985-05-01

A simple set of formulas is derived which relate emittance, line charge density, matched maximum and average envelope radii, occupancy factors, and the (space charge) depressed and vacuum values of tune. This formulation is an improvement on the smooth limit approximation; deviations from exact (numerically determined) relations are on the order of +-2%, while the smooth limit values are in error by up to +-30%. This transport formalism is used to determine the limits of transportable line charge density in an electrostatic quadrupole array, with specific application to the low energy portion of the High Temperature Experiment of Heavy Ion Fusion Accelerator Research. The line charge density limit is found to be essentially proportional to the voltage on the pole faces and the fraction of occupied aperture area. A finite injection energy (greater than or equal to 2 MeV) is required to realize this limit, independent of particle mass

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 ...

Spectrum of hydrodynamic volumes and sizes of macromolecules of linear polyelectrolytes versus their charge density in salt-free aqueous solutions.

Science.gov (United States)

Pavlov, Georges M; Dommes, Olga A; Okatova, Olga V; Gavrilova, Irina I; Panarin, Evgenii F

2018-04-18

Molecular characteristics of statistical copolymers based on hydrophilic poly(N-methyl-N-vinylacetamide) have been monitored throughout the entire possible range of charge density from 1.5 to 39 mol%. Different trends in the dependence of intrinsic viscosity on the average charge density of polymer chains at minimal ionic strength were revealed. A new parameter, lqq/Abare, describing this behavior was proposed (lqq is the average distance between the neighboring charges along the chain, and Abare is the statistical segment length of a non-charged homologue). For polyelectrolyte chains, this parameter allows the regions of charge density values where electrostatic long-range or short-range interactions dominate to be indicated. Two homologous series of copolymers were characterized by methods of molecular hydrodynamics under conditions of suppressed charge effects. Intrinsic viscosity in salt-free solutions characterizing an individual macromolecule was estimated by a method proposed earlier [Pavlov et al., Russ. J. Appl. Chem., 2006, 79, 1407-1412].

Charge density wave instabilities and incommensurate structural phase transformations

International Nuclear Information System (INIS)

Axe, J.D.

1977-10-01

Incommensurate structural phase transformations involve the appearance of modulated atomic displacements with spatial periodicity unrelated to the fundamental periodicity of the basic lattice. In the case of some quasi one- or two-dimensional metals such transformations are the result of Fermi-surface instabilities that also produce electronic charge density waves (CDW's) and soft phonon modes due to metallic electron screening singularities. Incommensurate soft mode instabilities have been found in insulators as well. Recent neutron scattering studies of both the statics and dynamics of incommensurate structural instabilities will be reviewed

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

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...

Charge density wave crossover at low fillings in the fractional quantum Hall regime

International Nuclear Information System (INIS)

Cabo, A.; Claro, F.; Perez, A.; Maze, J.

2006-08-01

We show that besides the Wigner Crystal, the lowest Landau level supports a state with the same crystalline symmetry but qualitatively different charge density distribution at low densities. Instead of periodic peaks the new state forms percolating ridges that may favor an energy decrease through correlated ring exchange contributions. For the case of half electron per cell a crossover is found close to filling 1/7 between this new state and the Wigner-like solid, showing that transitions may occur from one to the other as the electron density is varied. This result is consistent with recent experimental findings. (author)

Exchange correlation effects on plasmons and on charge-density wave instability in narrow-band quasi-one-dimensional metals

International Nuclear Information System (INIS)

Nobile, A.; Tosatti, E.

1979-05-01

The coexistence of tight-binding and exchange-correlation effects inside each chain of a model quasi-one-dimensional metal, on both plasmon and charge density wave properties have been studied. The results, while in qualitative agreement with other treatments of the problem at long wavelengths, indicate a strong tendency for plasmons to turn into excitons at larger momenta, and to exhibit an ''excitonic'' charge-density wave instability at k approximately 2ksub(F). The nature of the plasmon branches and of the excitonic charge distortion is examined. Relevance to existing quasi-one-dimensional materials is also discussed. (author)

Modeling the Electric Potential and Surface Charge Density near Charged Thunderclouds

Science.gov (United States)

Neel, Matthew Stephen

2018-01-01

Thundercloud charge separation, or the process by which the bottom portion of a cloud gathers charge and the top portion of the cloud gathers the opposite charge, is still not thoroughly understood. Whatever the mechanism, though, a charge separation definitely exists and can lead to electrostatic discharge via cloud-to-cloud lightning and…

On sum rules for charge transition density

International Nuclear Information System (INIS)

Gul'karov, I.S.

1979-01-01

The form factors of the quadrupole and octupole oscillations of the 12 C nucleus are compared with the predictions of the sum rules for the charge transition density (CTD). These rules allow to obtain various CTD which contain the components k: rsup(lambda+2k-2)rho(r) and rsup(lambda+2k-1)(drho(r)/dr) (k=0, 1, 2...) and can be applied to analyze the inelastic scattering of high energy particles by nuclei. It is shown that the CTD under consideration have different radius dependence and describe the data essentially better (though ambiguously) than the Tassy and Steinwedel-Jensen models do. The recurrent formulas are derived for the ratios of the higher order transition matrix elements and CTD. These formulas can be used to predict the CTD behaviour for highly excited nuclear states

The Holographic Electron Density Theorem, de-quantization, re-quantization, and nuclear charge space extrapolations of the Universal Molecule Model

Science.gov (United States)

Mezey, Paul G.

2017-11-01

Two strongly related theorems on non-degenerate ground state electron densities serve as the basis of "Molecular Informatics". The Hohenberg-Kohn theorem is a statement on global molecular information, ensuring that the complete electron density contains the complete molecular information. However, the Holographic Electron Density Theorem states more: the local information present in each and every positive volume density fragment is already complete: the information in the fragment is equivalent to the complete molecular information. In other words, the complete molecular information provided by the Hohenberg-Kohn Theorem is already provided, in full, by any positive volume, otherwise arbitrarily small electron density fragment. In this contribution some of the consequences of the Holographic Electron Density Theorem are discussed within the framework of the "Nuclear Charge Space" and the Universal Molecule Model. In the Nuclear Charge Space" the nuclear charges are regarded as continuous variables, and in the more general Universal Molecule Model some other quantized parameteres are also allowed to become "de-quantized and then re-quantized, leading to interrelations among real molecules through abstract molecules. Here the specific role of the Holographic Electron Density Theorem is discussed within the above context.

Nonequilibrium response of an electron-mediated charge density wave ordered material to a large dc electric field

Science.gov (United States)

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

2016-01-01

Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for the nonlinear response of an electron-mediated charge-density-wave-ordered material. We examine both the dc current and the order parameter of the conduction electrons as the ordered system is driven by the electric field. Although the formalism we develop applies to all models, for concreteness, we examine the charge-density-wave phase of the Falicov-Kimball model, which displays a number of anomalous behaviors including the appearance of subgap density of states as the temperature increases. These subgap states should have a significant impact on transport properties, particularly the nonlinear response of the system to a large dc electric field.

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

Science.gov (United States)

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

2018-02-14

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

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...... oxygen atoms have the largest displacements, perpendicular to the CuO2 planes. Our results allow many electronic properties of the underdoped cuprates to be understood. For instance, the CDWs will lead to local variations in the electronic structure, giving an explicit explanation of density-wave states...

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

defined within nonoverlapping, space-filling Wigner-Seitz cells; the exchange-correlation energy is evaluated by means of the local-density approximation or the generalized gradient approximation applied to the complete charge-density; and the ASA kinetic energy is corrected for the nonspherically...... symmetric charge density by a gradient expansion. The technique retains most of the simplicity and the computational efficiency of the LMTO-ASA method, and calculations of atomic volumes and elastic constants of the 4d elements show that it has the accuracy of full-potential methods....

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

International Nuclear Information System (INIS)

Terzic, B.; Bassi, G.

2011-01-01

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)G. Bassi and B. Terzic, 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 (2009)), 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.

Charge density of 58Ni, by scattering of electrons at high moment transfer

International Nuclear Information System (INIS)

Turck, Sylvaine

1976-01-01

Due to the unique electromagnetic interaction involved, electron elastic scattering allows a nuclear structure to be tested through nucleus magnetisation and charge distribution. In a first part, this research thesis reports experiments performed on the Saclay Linear Accelerator (ALS) with the 58 Ni nucleus, a well closed magic nucleus which allows a qualitative comparison between experiments and Hartree-Fock calculations to be performed. The author presents the experimental set-up, describes data acquisition, data reduction and corrections. The second part proposes a theoretical introduction to electron scattering, discusses the analysis without model, and theoretical predictions of charge density

Density and energy distribution of epithermal secondary electrons in a plasma with fast charged particles

International Nuclear Information System (INIS)

Jayakumar, R.; Fleischmann, H.H.

1989-01-01

The production of intermediate energy secondary electrons in plasmas through collisions with fast charged particles is investigated. The density and the distribution of the secondary electrons are obtained by calculating the generation, slow down and diffusion rates, using basic Rutherford collision cross sections. It is shown that the total density of secondaries is much smaller than the fast particle density and that the energy distribution has roughly a 1/√E dependence. The higher generation secondary populations are also obtained. (orig.)

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.

X-ray electron charge density distribution in silicon

International Nuclear Information System (INIS)

Pietsch, U.

1986-01-01

During the last two years new highly accurate X-ray structure amplitudes for silicon have been published. Also the scattering phases of some 'forbidden' reflections have been determined using the X-ray three-beam case. This allows the construction of most precise valence and difference electron density plots and the comparison with those calculated on the basis of the Aldret-Hart X-ray pendelloesung data or theoretically. The density plots are discussed in details of both, the bond and the atomic site. The contributions of various Fourier components and the influence of different temperature factors on the difference density are studied. (author)

Characterization of the internal ion environment of biofilms based on charge density and shape of ion.

Science.gov (United States)

Kurniawan, Andi; Tsuchiya, Yuki; Eda, Shima; Morisaki, Hisao

2015-12-01

Biofilm polymers contain both electrically positively and negatively charged sites. These charged sites enable the biofilm to trap and retain ions leading to an important role of biofilm such as nutrient recycling and pollutant purification. Much work has focused on the ion-exchange capacity of biofilms, and they are known to adsorb ions through an exchange mechanism between the ions in solution and the ions adsorbed to the charged sites on the biofilm polymer. However, recent studies suggest that the adsorption/desorption behavior of ions in a biofilm cannot be explained solely by this ion exchange mechanism. To examine the possibility that a substantial amount of ions are held in the interstitial region of the biofilm polymer by an electrostatic interaction, intact biofilms formed in a natural environment were immersed in distilled water and ion desorption was investigated. All of the detected ion species were released from the biofilms over a short period of time, and very few ions were subsequently released over more time, indicating that the interstitial region of biofilm polymers is another ion reserve. The extent of ion retention in the interstitial region of biofilms for each ion can be determined largely by charge density, |Z|/r, where |Z| is the ion valence as absolute value and r is the ion radius. The higher |Z|/r value an ion has, the stronger it is retained in the interstitial region of biofilms. Ion shape is also a key determinant of ion retention. Spherical and non-spherical ions have different correlations between the condensation ratio and |Z|/r. The generality of these findings were assured by various biofilm samples. Thus, the internal regions of biofilms exchange ions dynamically with the outside environment. Copyright © 2015 Elsevier B.V. All rights reserved.

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

Science.gov (United States)

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 CDW periods 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.

Phase slip process and charge density wave dynamics in a one dimensional conductor

Science.gov (United States)

Habiballah, N.; Zouadi, M.; Arbaoui, A.; Qjani, M.; Dumas, J.

In this paper, we study the phase slip effect on the charge density wave (CDW) dynamics in a one-dimensional conductor in the weak pinning limit. A considerable enhancement of JCDW is observed in the presence of phase slips. In addition, a spatial dependence of the CDW current density JCDW is also studied showing that a decrease of JCDW with distance from the current contact occurs. The results are discussed in terms the relationship between additional phase slips and the mobility of phase dislocations nucleated at electrical contacts.

Determination of the Electronics Charge--Electrolysis of Water Method.

Science.gov (United States)

Venkatachar, Arun C.

1985-01-01

Presents an alternative method for measuring the electronic charge using data from the electrolysis of acidified distilled water. The process (carried out in a commercially available electrolytic cell) has the advantage of short completion time so that students can determine electron charge and mass in one laboratory period. (DH)

Experimental surface charge density of the Si (100)-2x1H surface

DEFF Research Database (Denmark)

Ciston, J.; Marks, L.D.; Feidenhans'l, R.

2006-01-01

We report a three-dimensional charge density refinement from x-ray diffraction intensities of the Si (100) 2x1H surface. By paying careful attention to parameterizing the bulk Si bonding, we are able to locate the hydrogen atoms at the surface, which could not be done previously. In addition, we...

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.

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

KAUST Repository

Zhang, Qingyun; Gan, Liyong; Cheng, Yingchun; Schwingenschlö gl, Udo

2014-01-01

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.

Spin-charge separation in quantum wires

International Nuclear Information System (INIS)

Yacoby, A.

2004-01-01

Full Text:Using momentum resolved tunneling between two clean parallel quantum wires in a AlGaAs/GaAs heterostructure we directly measure the dispersion of the quantum many-body modes in ballistic wires and follow their dependence on Coulomb interactions by varying the electron density. We find clear signatures of three excitation modes in the data: The anti-symmetric charge mode of the coupled wire system and two spin modes. The density dependence of the anti-symmetric charge mode agrees well with Luttinger-liquid theory. As the density of electrons is lowered, the Coulomb interaction is seen to become increasingly dominant leading to excitation velocities that are up to 2.5 times faster than the bare Fermi velocity, determined experimentally from the carrier density. The symmetric charge excitation, also expected from theory, is, however, not visible in the data. The observed spin velocities are found to be 25% slower than the bare Fermi velocities and depend linearly on carrier density. The dispersions are mapped down to a critical density at which spontaneous localization is observed. Some of the experimental findings concerning this phase will be discussed

Charge orders in organic charge-transfer salts

International Nuclear Information System (INIS)

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

2017-01-01

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

The Properties of the Space-Charge and Net Current Density in Magnetized Plasmas

International Nuclear Information System (INIS)

Hatami, M. M.

2013-01-01

A hydrodynamic model is used to investigate the properties of positive space-charge and net current density in the sheath region of magnetized, collisional plasmas with warm positive ions. It is shown that an increase in the ion-neutral collision frequency, as well as the magnitude of the external magnetic field, leads to an increase in the net current density across the sheath region. The results also show that the accumulation of positive ions in the sheath region increases by increasing the ion-neutral collision frequency and the magnitude of the magnetic field. In addition, it is seen that an increase in the positive ion temperatures causes a decrease in the accumulation of positive ions and the net current density in the sheath region. (basic plasma phenomena)

Surface-plasmon dispersion relation for the inhomogeneous charge-density medium

International Nuclear Information System (INIS)

Harsh, O.K.; Agarwal, B.K.

1989-01-01

The surface-plasmon dispersion relation is derived for the plane-bounded electron gas when there is an inhomogeneous charge-density distribution in the plasma. The hydrodynamical model is used. Both cphi and dcphi/dx are taken to be continuous at the surface of the slab, where cphi is the scalar potential. The dispersion relation is compared with the theoretical works of Stern and Ferrell and of Harsh and Agarwal. It is also compared with the observations of Kunz. A dispersion relation for the volume-plasmon oscillations is derived which resembles the well-known relation of Bohm and Pines

Characterization of surface charge and mechanical properties of chitosan/alginate based biomaterials

International Nuclear Information System (INIS)

Verma, Devendra; Desai, Malav S.; Kulkarni, Namrata; Langrana, Noshir

2011-01-01

This study aims to examine mechanical properties and surface charge characteristics of chitosan/alginate-based films for biomedical applications. By varying the concentrations of chitosan and alginate, we have developed films with varying surface charge densities and mechanical characteristics. The surface charge densities of these films were determined by applying an analytical model on force curves derived from an atomic force microscope (AFM). The average surface charge densities of films containing 60% chitosan and 80% chitosan were found to be - 0.46 mC/m 2 and - 0.32 mC/m 2 , respectively. The surface charge density of 90% chitosan containing films was found to be neutral. The elastic moduli and the water content were found to be decreasing with increasing chitosan concentration. The films with 60%, 80% and 90% chitosan gained 93.5 ± 6.6%, 217.1 ± 22.1% and 396.8 ± 67.5% of their initial weight, respectively. Their elastic moduli were found to be 2.6 ± 0.14 MPa, 1.9 ± 0.27 MPa and 0.93 ± 0.12 MPa, respectively. The trend observed in the mechanical response of these films has been attributed to the combined effect of the concentration of polyelectrolyte complexes (PEC) and the amount of water absorbed. The Fourier transform infrared spectroscopy experiments indicate the presence of higher alginate on the surface of the films compared to the bulk in all films. The presence of higher alginate on surface is consistent with negative surface charge densities of these films, determined from AFM experiments. Highlights: → Chitosan/alginate based fibrous polyelectrolyte complex films were developed. → The average surface charge density of the films was determined using AFM. → Elastic modulus of the films increased with increase in PEC content. → FTIR analysis indicated higher alginate content on surface compared to bulk.

Charge determination of nuclei with the AMS-02 silicon tracker

OpenAIRE

Alpat, B.; G. Ambrosi; Azzarello, P.; Battiston, R.; Bene, P.; Bertucci, B.; Bizzaglia, S.; Bizzarri, M.; Blasko, S.; Bourquin, M.; Cortina Gil, Eduardo

2005-01-01

The silicon tracker of the AMS-02 detector measures the trajectory in three dimensions of electrons, protons and nuclei to high precision in a dipole magnetic field and thus measures their rigidity (momentum over charge) and the sign of their charge. In addition, it measures the specific energy loss of charged particles to determine the charge magnitude. Ladders from the AMS-02 tracker have been exposed to ion beams at CERN and GSI to study their response to nuclei from helium up to the iron ...

Charge Dynamics in near-Surface, Variable-Density Ensembles of Nitrogen-Vacancy Centers in Diamond.

Science.gov (United States)

Dhomkar, Siddharth; Jayakumar, Harishankar; Zangara, Pablo R; Meriles, Carlos A

2018-06-13

Although the spin properties of superficial shallow nitrogen-vacancy (NV) centers have been the subject of extensive scrutiny, considerably less attention has been devoted to studying the dynamics of NV charge conversion near the diamond surface. Using multicolor confocal microscopy, here we show that near-surface point defects arising from high-density ion implantation dramatically increase the ionization and recombination rates of shallow NVs compared to those in bulk diamond. Further, we find that these rates grow linearly, not quadratically, with laser intensity, indicative of single-photon processes enabled by NV state mixing with other defect states. Accompanying these findings, we observe NV ionization and recombination in the dark, likely the result of charge transfer to neighboring traps. Despite the altered charge dynamics, we show that one can imprint rewritable, long-lasting patterns of charged-initialized, near-surface NVs over large areas, an ability that could be exploited for electrochemical biosensing or to optically store digital data sets with subdiffraction resolution.

Determination of net atomic charges in anthraquinone by means of 5-h X-ray diffraction experiment

Czech Academy of Sciences Publication Activity Database

Šlouf, Miroslav

2002-01-01

Roč. 611, 1-3 (2002), s. 139-146 ISSN 0022-2860 R&D Projects: GA ČR GA203/99/M037 Institutional research plan: CEZ:AV0Z4050913 Keywords : net charges * net atomic charges * charge density analysis Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.122, year: 2002

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.

Charge determination of nuclei with the AMS-02 silicon tracker

CERN Document Server

Alpat, B; Azzarello, P; Battiston, R; Bene, P; Bertucci, B; Bizzaglia, S; Bizzarri, M; Blasko, S; Bourquin, M; Bouvier, P; Burger, W J; Capell, M; Cecchi, C; Chang, Y H; Cortina, E; Dinu, N; Esposito, G; Fiandrini, E; Haas, D; Hakobyan, H; Ionica, M; Ionica, R; Kounine, A; Koutsenko, V F; Lebedev, A; Lechanoine-Leluc, C; Lin, C H; Masciocchi, F; Menichelli, M; Natale, S; Paniccia, M; Papi, A; Pauluzzi, M; Perrin, E; Pohl, M; Rapin, D; Richeux, J P; Wallraff, W; Willenbrock, M; Zuccon, P

2005-01-01

The silicon tracker of the AMS-02 detector measures the trajectory in three dimensions of electrons, protons and nuclei to high precision in a dipole magnetic field and thus measures their rigidity (momentum over charge) and the sign of their charge. In addition, it measures the specific energy loss of charged particles to determine the charge magnitude. Ladders from the AMS-02 tracker have been exposed to ion beams at CERN and GSI to study their response to nuclei from helium up to the iron group. The longest ladder, 72 multiplied by 496mm2, verified in the tests contains 12 sensors. Good charge resolution is observed up to iron.

Nonuniversal critical behaviour in a model for charge density wave dynamics

International Nuclear Information System (INIS)

Ritala, R.K.; Hertz, J.A.

1986-02-01

We have studied short range fluctuations around the infinite-range model of charge density wave (CDW) dynamics. We find that the inhomogeneity of the local field, which is neglected in the infinite-range approximation has a dramatic effect on the transition. In the Bethe approximation the critical behaviour is nonuniversal. In particular, the current exponent is ζ = 3/2 log(z-1)/[log(z)]+log(1+f/J)], where z is the number of neighbors, f the pinning strength, and J the elastic coupling. (orig.)

Experimental charge density determination in iso-structural Tellurides: Hf0.85GeTe4 and ZrGeTe4

International Nuclear Information System (INIS)

Israel, S.; Saravana Kumar, S.; Sheeba, R.A.J.R.; Saravanan, R.

2012-01-01

Hf 0.85 GeTe 4 is isostructural with stoichiometric ZrGeTe 4 and their crystal structure adopts a two-dimensional layered structure, each layer being composed of two unique one-dimensional chains of face sharing Hf/Zr-centered bicapped trigonal prisms and corner sharing Ge- centered tetrahedra. These layers stack on top of each other to complete the three-dimensional structure with undulating van der Waals gaps. Single crystal XRD is used for the refinement of the structural parameters. The space group Cmc2 1 was considered and the structure was the refined using the harmonic model by the software called JANA2006. The refined structure factors were then subsequently used in MEM (Maximum Entropy Method) technique for the construction of the charge density in the unit cell using software called PRIMA and then visualized with the help of visualization software called VESTA

Assessment of fixed charge density in regenerated cartilage by Gd-DTPA-enhanced MRI

International Nuclear Information System (INIS)

Miyata, Shogo; Homma, Kazuhiro; Numano, Tomokazu; Furukawa, Katsuko; Tateishi, Tetsuya; Ushida, Takashi

2006-01-01

Applying regenerated cartilage in a clinical setting requires noninvasive evaluation to detect the maturity of cartilage tissue. Magnetic resonance (MR) imaging of articular cartilage is well accepted and has been applied clinically in recent years. We attempt to establish a noninvasive method to evaluate the maturity of regenerated cartilage tissue using gadolinium-enhanced MR imaging. To reconstruct cartilaginous tissue, we embedded articular chondrocytes harvested from bovine humeral head in agarose gel and cultured the cells in vitro up to 4 weeks. The fixed charge density (FCD) of the cartilage was determined using MRI gadolinium exclusion method. The sulfated glycosaminoglycan (sGAG) content was determined by dimethylmethylene blue dye-binding assay. The sGAG content and FCD of the regenerated cartilage increased with duration of culture. In the T 1 Gd maps, the [Gd-DTPA 2- ] in the specimen decreased, and the boundary between the sample disk and the bath solution of phosphate buffered saline (PBS) became clearer as time in culture increased. In the linear regression analysis, FCD and sGAG content correlated significantly. Gadolinium-enhanced MR imaging measurements can be useful predictors of the degree of cartilaginous tissue formation. (author)

A Raman study of the charge-density-wave state in A(0.3)MoO(3) (A = K, Rb)

NARCIS (Netherlands)

Sagar, D. M.; Fausti, D.; Yue, S.; Kuntscher, C. A.; van Smaalen, S.; van Loosdrecht, P. H. M.

2008-01-01

We report a comparative Raman spectroscopic study of the quasi-one-dimensional charge-density-wave (CDW) systems A(0.3)MoO(3) (A = K, Rb). Temperature- and polarization-dependent experiments reveal charge-coupled vibrational Raman features. The strongly temperature-dependent collective amplitudon

Charge density glass dynamics - Soft potentials and soft modes

Energy Technology Data Exchange (ETDEWEB)

Biljakovic, K., E-mail: katica@ifs.hr [Institute of Physics, HR-10001, Zagreb, P.O. Box 304 (Croatia); Staresinic, D., E-mail: damirs@ifs.hr [Institute of Physics, HR-10001, Zagreb, P.O. Box 304 (Croatia); Lasjaunias, J.C., E-mail: jean-claude.lasjaunias@pop3.grenoble.cnrs.fr [Institut Neel, CNRS, BP 166, F-38042, Grenoble, Cedex 9 (France); Remenyi, G., E-mail: Gyorgy.Remenyi@grenoble.cnrs.fr [Institut Neel, CNRS, BP 166, F-38042, Grenoble, Cedex 9 (France); Melin, R., E-mail: Regis.Melin@grenoble.cnrs.fr [Institut Neel, CNRS, BP 166, F-38042, Grenoble, Cedex 9 (France); Monceau, P., E-mail: pierre.monceau@grenoble.cnrs.fr [Institut Neel, CNRS, BP 166, F-38042, Grenoble, Cedex 9 (France); Sahling, S., E-mail: sven.olaf@gmail.com [Institut fuer Festkoerperphysik, Universitaet Dresden, D-01062, Dresden (Germany)

2012-06-01

An universal fingerprint of glasses has been found in low-temperature thermodynamic properties of charge/spin density wave (C/SDW) systems. Deviations from the well-known Debye, elastic continuum prediction for specific heat (flat C{sub p}/T{sup 3} plot) appear as two anomalies; the upturn below 1 K and a broad bump at T{approx}10 K (named Boson peak in glasses). The first one, inherent of localized two level systems within the shalow corrugated phase space, exhibits slow relaxation with the complex dynamics. The second one, 'Boson peak-like peak' was attributed to the pinned mode and incomplete softening of CDW superstructural mode. We discuss similar C{sub p}(T) features found also in incommensurate dielectrics with well documented soft-mode anomalies.

Application of double-hybrid density functionals to charge transfer in N-substituted pentacenequinones.

Science.gov (United States)

Sancho-García, J C

2012-05-07

A set of N-heteroquinones, deriving from oligoacenes, have been recently proposed as n-type organic semiconductors with high electron mobilities in thin-film transistors. Generally speaking, this class of compounds self-assembles in neighboring π-stacks linked by weak hydrogen bonds. We aim at theoretically characterizing here the sequential charge transport (hopping) process expected to take place across these arrays of molecules. To do so, we need to accurately address the preferred packing of these materials simultaneously to single-molecule properties related to charge-transfer events, carefully employing dispersion-corrected density functional theory methods to accurately extract the key molecular parameters governing this phenomenon at the nanoscale. This study confirms the great deal of interest around these compounds, since controlled functionalization of model molecules (i.e., pentacene) allows to efficiently tune the corresponding charge mobilities, and the capacity of modern quantum-chemical methods to predict it after rationalizing the underlying structure-property relationships.

Charge and spin density in s-stable rare earth intermetallic compounds

International Nuclear Information System (INIS)

Graaf, H. de.

1982-01-01

This thesis deals with a study of the electronic structure of rare earth intermetallic compounds, in particular the electronic charge and spin density distribution. These are closely related to the properties of the rare earth ions, which carry the partly filled 4f shell. In chapter 1 a survey of the theory of hyperfine interaction as far as it has a bearing on the Moessbauer effect of 155 Gd and 151 Eu is given. Also some details of the Moessbauer spectra, which have practical importance are discussed. In chapter 2 the experimental set-up is described. Special attention is paid to the gamma radiation source and gamma detection requirements. In chapter 3 the author introduces the theoretical framework which will be used to interpret the measurements. In chapter 4 the results of the 155 Gd Moessbauer measurements are presented. Also it is discussed how the result can be understood in terms of the charge and spin density in rare earth intermetallic compounds. In order to lend support to the picture emerging from the previous chapter, in chapter 5 the conduction electron band structure of some representative Gd intermetallics is computed with an approximate semi-empirical LCAO method. The results are compared with those from chapter 4. Finally, in chapter 6, the 151 Eu resonance is used to investigate the temperature dependence of the hyperfine field and line width in the Eu intermetallic compounds Eu 2 Mg 17 and EuMg 5 . (Auth.)

Procedure for Uranium-Molybdenum Density Measurements and Porosity Determination

Energy Technology Data Exchange (ETDEWEB)

Prabhakaran, Ramprashad [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Devaraj, Arun [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Joshi, Vineet V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lavender, Curt A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2016-08-13

The purpose of this document is to provide guidelines for preparing uranium-molybdenum (U-Mo) specimens, performing density measurements, and computing sample porosity. Typical specimens (solids) will be sheared to small rectangular foils, disks, or pieces of metal. A mass balance, solid density determination kit, and a liquid of known density will be used to determine the density of U-Mo specimens using the Archimedes principle. A standard test weight of known density would be used to verify proper operation of the system. By measuring the density of a U-Mo sample, it is possible to determine its porosity.

Transition densities with electron scattering

International Nuclear Information System (INIS)

Heisenberg, J.

1985-01-01

This paper reviews the ground state and transition charge densities in nuclei via electron scattering. Using electrons as a spectroscopic tool in nuclear physics, these transition densities can be determined with high precision, also in the nuclear interior. These densities generally ask for a microscopic interpretation in terms of contributions from individual nucleons. The results for single particle transitions confirm the picture of particle-phonon coupling. (Auth.)

Random distribution of background charge density for numerical simulation of discharge inception

International Nuclear Information System (INIS)

Grange, F.; Loiseau, J.F.; Spyrou, N.

1998-01-01

The models of electric streamers based on a uniform background density of electrons may appear not to be physical, as the number of electrons in the small active region located in the vicinity of the electrode tip under regular conditions can be less than one. To avoid this, the electron background is modelled by a random density distribution such that, after a certain time lag, at least one electron is present in the grid close to the point electrode. The modelling performed shows that the streamer inception is not very sensitive to the initial location of the charged particles; the ionizing front, however, may be delayed by several tens of nanoseconds, depending on the way the electron has to drift before reaching the anode. (J.U.)

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.

Nuclear charge radii of 8,9Li determined by laser spectroscopy

International Nuclear Information System (INIS)

Ewald, G.; Dax, A.; Goette, S.; Kirchner, R.; Kluge, H.J.; Kuehl, T.; Sanchez, R.; Wojtaszek, A.; Noertershaeuser, W.; Drake, G.W.F.; Yan, Z.C.; Zimmermann, C.

2004-06-01

The 2S → 3S transition of 6,7,8,9 Li was studied by high-resolution laser spectroscopy using two-photon Doppler-free excitation and resonance-ionization detection. The hyperfine structure splitting and the isotope shift were determined with precision at the 100 kHz level. Combined with recent theoretical work, the changes in nuclear charge radii of 8,9 Li were determined. These are now the lightest short-lived isotopes for which the charge radii have been measured. It is found that the charge radii monotonically decrease with increasing neutron number from 6 Li to 9 Li. (orig.)

GNSS-based Road Charging Systems - Assessment of Vehicle Location Determination

DEFF Research Database (Denmark)

Zabic, Martina

the collected data from the experiment, in its original for, as it would be used as input for the automated charge calculation process in a road charging system. Furthermore, new methodologies are developed for assessing the performance of the vehicle location determination function in terms of data reliability...

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.

16 CFR 1209.4 - Test procedures for determining settled density.

Science.gov (United States)

2010-01-01

... density. 1209.4 Section 1209.4 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION CONSUMER PRODUCT... procedures for determining settled density. The settled density of lose fill insulation must be determined.... This section describes the procedure for determining the settled density of loose fill insulation. (a...

Far infrared conductivity of charge density wave materials and the oxygen isotope effect in high-Tc superconductors

International Nuclear Information System (INIS)

Creager, W.N.

1991-09-01

The far infrared reflectance and conductivity of (Ta 1-x Nb x Se 4 ) 2 I and TaS 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 4 ) 2 I and K 0. 3 MoO 3 . The measurements cover frequencies from 3 to 700cm -1 and the temperature range from 15K to 300K. In the niobium-doped alloys (Ta 1-x Nb x Se 4 ) 2 I, the size and frequency of the giant infrared mode remain nearly constant as the impurity concentration x is increased. For TaS 3 , the pinned acoustic phason near 0.5cm -1 dominates var-epsilon(ω) and an additional small mode lies near 9cm -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 0.3 MoO 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-T c superconductor YBa 2 Cu 3 O 7 has been determined by substitution of 18 O for 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

The deduction of low-Z ion temperature and densities in the JET tokamak using charge exchange recombination spectroscopy

International Nuclear Information System (INIS)

Boileau, A.; Hellermann, M. von; Horton, L.D.; Spence, J.; Summers, H.P.

1989-01-01

A charge exchange recombination spectroscopy (CXRS) diagnostic has been established on JET to study fully stripped low-Z species. Ion temperature in the plasma centre is measured from visible lines of helium, carbon and oxygen excited by charge exchange with heating neutral beam particles. Coincident cold components produced at the plasma edge are apparent on helium and carbon spectra and most spectra are subject to accidental blending from other species' edge plasma emission. The charge exchange feature can be isolated from the various composite lines and all three impurities agree on the same temperature within experimental error. Observed column emissivities are converted into absolute impurity densities using a neutral beam attenuation code and charge exchange effective rate coefficients. Comprehensive new calculations have been performed to obtain the effective rate coefficients. The models take detailed account of cascading and the influence of the plasma environment in causing l-mixing, and allow the n-dependence of the rate coefficients to be addressed experimentally. The effective ion charge reconstructed from simultaneous measurements of the densities of dominant impurities shows good agreement with the value inferred from visible Bremsstrahlung. Some illustrative results are shown for helium (helium discharge or minority r.f.. heating), carbon and oxygen concentrations monitored during characteristic operating regimes. (author)

Theory of space-charge polarization for determining ionic constants of electrolytic solutions

Science.gov (United States)

Sawada, Atsushi

2007-06-01

A theoretical expression of the complex dielectric constant attributed to space-charge polarization has been derived under an electric field calculated using Poisson's equation considering the effects of bound charges on ions. The frequency dependence of the complex dielectric constant of chlorobenzene solutions doped with tetrabutylammonium tetraphenylborate (TBATPB) has been analyzed using the theoretical expression, and the impact of the bound charges on the complex dielectric constant has been clarified quantitatively in comparison with a theory that does not consider the effect of the bound charges. The Stokes radius of TBA +(=TPB-) determined by the present theory shows a good agreement with that determined by conductometry in the past; hence, the present theory should be applicable to the direct determination of the mobility of ion species in an electrolytic solution without the need to measure ionic limiting equivalent conductance and transport number.

Measurement of deuterium density profiles in the H-mode steep gradient region using charge exchange recombination spectroscopy on DIII-D.

Science.gov (United States)

Haskey, S R; Grierson, B A; Burrell, K H; Chrystal, C; Groebner, R J; Kaplan, D H; Pablant, N A; Stagner, L

2016-11-01

Recent completion of a thirty two channel main-ion (deuterium) charge exchange recombination spectroscopy (CER) diagnostic on the DIII-D tokamak [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] enables detailed comparisons between impurity and main-ion temperature, density, and toroidal rotation. In a H-mode DIII-D discharge, these new measurement capabilities are used to provide the deuterium density profile, demonstrate the importance of profile alignment between Thomson scattering and CER diagnostics, and aid in determining the electron temperature at the separatrix. Sixteen sightlines cover the core of the plasma and another sixteen are densely packed towards the plasma edge, providing high resolution measurements across the pedestal and steep gradient region in H-mode plasmas. Extracting useful physical quantities such as deuterium density is challenging due to multiple photoemission processes. These challenges are overcome using a detailed fitting model and by forward modeling the photoemission using the FIDASIM code, which implements a comprehensive collisional radiative model.

Transverse charge and magnetization densities: Improved chiral predictions down to b=1 fms

Energy Technology Data Exchange (ETDEWEB)

Alarcon, Jose Manuel [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Hiller Blin, Astrid N. [Johannes Gutenberg Univ., Mainz (Germany); Vicente Vacas, Manuel J. [Spanish National Research Council (CSIC), Valencia (Spain). Univ. of Valencia (UV), Inst. de Fisica Corpuscular; Weiss, Christian [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

2018-03-01

The transverse charge and magnetization densities provide insight into the nucleon’s inner structure. In the periphery, the isovector components are clearly dominant, and can be computed in a model-independent way by means of a combination of chiral effective field theory (cEFT) and dispersion analysis. With a novel N=D method, we incorporate the pion electromagnetic formfactor data into the cEFT calculation, thus taking into account the pion-rescattering effects and r-meson pole. As a consequence, we are able to reliably compute the densities down to distances b1 fm, therefore achieving a dramatic improvement of the results compared to traditional cEFT calculations, while remaining predictive and having controlled uncertainties.

Topological defect and quasi-particle dynamics in charge density waves

International Nuclear Information System (INIS)

Hayashi, Masahiko; Ebisawa, Hiromichi

2010-01-01

The dynamics of topological defects (dislocations) in charge density waves (CDW's) is largely affected by the quasi-particle dynamics in the cores of the dislocations. The dislocations mediate the conversion of the electron number between condensate and quasi-particle sub-systems. This is especially important in the sliding conduction of CDW. In this work we propose a simple model, which is obtained by extending the Ginzburg-Landau theory partially taking into account the quasi-particle dynamics in the sense of two-fluid model. We perform the numerical simulation of sliding conduction of CDW based on our model. Using this model we may clarify the detailed process of dislocation nucleation and annihilation near the contacts.

Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids.

Science.gov (United States)

Lian, Cheng; Zhao, Shuangliang; Liu, Honglai; Wu, Jianzhong

2016-11-28

Understanding the charging kinetics of electric double layers is of fundamental importance for the design and development of novel electrochemical devices such as supercapacitors and field-effect transistors. In this work, we study the dynamic behavior of room-temperature ionic liquids using a classical time-dependent density functional theory that accounts for the molecular excluded volume effects, the electrostatic correlations, and the dispersion forces. While the conventional models predict a monotonic increase of the surface charge with time upon application of an electrode voltage, our results show that dispersion between ions results in a non-monotonic increase of the surface charge with the duration of charging. Furthermore, we investigate the effects of van der Waals attraction between electrode/ionic-liquid interactions on the charging processes.

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.

Charge properties and bacterial contact-killing of hyperbranched polyurea-polyethyleneimine coatings with various degrees of alkylation

International Nuclear Information System (INIS)

Roest, Steven; Mei, Henny C. van der; Loontjens, Ton J.A.; Busscher, Henk J.

2015-01-01

Highlights: • Cationic charge density does not reflect bacterial contact-killing by QUAT coatings. • Charge carrier and density reflect bacterial killing by QUAT coatings. • Fluorescein staining cannot distinguish charge carriers in cationic coatings. • Charge carrier and density of QUAT coatings are reflected in the N401.3 eV XPS peak. • The at.% N401.3 eV should be more than 0.45% for effective bacterial contact-killing. - Abstract: Coatings of immobilized-quaternary-ammonium-ions (QUAT) uniquely kill adhering bacteria upon contact. QUAT-coatings require a minimal cationic-charge surface density for effective contact-killing of adhering bacteria of around 10 14 cm −2 . Quaternization of nitrogen is generally achieved through alkylation. Here, we investigate the contribution of additional alkylation with methyl-iodide to the cationic-charge density of hexyl-bromide alkylated, hyperbranched polyurea-polyethyleneimine coatings measuring charge density with fluorescein staining. X-ray-photoelectron-spectroscopy was used to determine the at.% alkylated-nitrogen. Also streaming potentials, water contact-angles and bacterial contact-killing were measured. Cationic-charge density increased with methyl-iodide alkylation times up to 18 h, accompanied by an increase in the at.% alkylated-nitrogen. Zeta-potentials became more negative upon alkylation as a result of shielding of cationiccharges by hydrophobic alkyl-chains. Contact-killing of Gram-positive Staphylococci only occurred when the cationic-charge density exceeded 10 16 cm −2 and was carried by alkylated-nitrogen (electron-binding energy 401.3 eV). Gram-negative Escherichia coli was not killed upon contact with the coatings. There with this study reveals that cationic-charge density is neither appropriate nor sufficient to determine the ability of QUAT-coatings to kill adhering bacteria. Alternatively, the at.% of alkylated-nitrogen at 401.3 eV is proposed, as it reflects both cationic-charge and its

Charge properties and bacterial contact-killing of hyperbranched polyurea-polyethyleneimine coatings with various degrees of alkylation

Energy Technology Data Exchange (ETDEWEB)

Roest, Steven [University of Groningen, University Medical Center Groningen, Department of Biomedical Engineering, AntoniusDeusinglaan 1, 9713 AV Groningen (Netherlands); Mei, Henny C. van der, E-mail: h.c.van.der.mei@umcg.nl [University of Groningen, University Medical Center Groningen, Department of Biomedical Engineering, AntoniusDeusinglaan 1, 9713 AV Groningen (Netherlands); Loontjens, Ton J.A. [University of Groningen, Zernike Institute for Advanced Materials, Department of Polymer Chemistry, Nijenborgh 4, 9747 AG Groningen (Netherlands); Busscher, Henk J. [University of Groningen, University Medical Center Groningen, Department of Biomedical Engineering, AntoniusDeusinglaan 1, 9713 AV Groningen (Netherlands)

2015-11-30

Highlights: • Cationic charge density does not reflect bacterial contact-killing by QUAT coatings. • Charge carrier and density reflect bacterial killing by QUAT coatings. • Fluorescein staining cannot distinguish charge carriers in cationic coatings. • Charge carrier and density of QUAT coatings are reflected in the N401.3 eV XPS peak. • The at.% N401.3 eV should be more than 0.45% for effective bacterial contact-killing. - Abstract: Coatings of immobilized-quaternary-ammonium-ions (QUAT) uniquely kill adhering bacteria upon contact. QUAT-coatings require a minimal cationic-charge surface density for effective contact-killing of adhering bacteria of around 10{sup 14} cm{sup −2}. Quaternization of nitrogen is generally achieved through alkylation. Here, we investigate the contribution of additional alkylation with methyl-iodide to the cationic-charge density of hexyl-bromide alkylated, hyperbranched polyurea-polyethyleneimine coatings measuring charge density with fluorescein staining. X-ray-photoelectron-spectroscopy was used to determine the at.% alkylated-nitrogen. Also streaming potentials, water contact-angles and bacterial contact-killing were measured. Cationic-charge density increased with methyl-iodide alkylation times up to 18 h, accompanied by an increase in the at.% alkylated-nitrogen. Zeta-potentials became more negative upon alkylation as a result of shielding of cationiccharges by hydrophobic alkyl-chains. Contact-killing of Gram-positive Staphylococci only occurred when the cationic-charge density exceeded 10{sup 16} cm{sup −2} and was carried by alkylated-nitrogen (electron-binding energy 401.3 eV). Gram-negative Escherichia coli was not killed upon contact with the coatings. There with this study reveals that cationic-charge density is neither appropriate nor sufficient to determine the ability of QUAT-coatings to kill adhering bacteria. Alternatively, the at.% of alkylated-nitrogen at 401.3 eV is proposed, as it reflects both

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

A version of the Donnan steric-partitioning pore model with dielectrical exclusion (DSPM-DE) has been used to get information on the pore size and charge density of a commercial membrane, NF45 from FilmTec, from its retention of KCl solutions. The conductivity inside the pores has been measured b...

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.

Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations

Energy Technology Data Exchange (ETDEWEB)

Rak, Zs.; Rost, C. M.; Lim, M.; Maria, J.-P.; Brenner, D. W. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7907 (United States); Sarker, P.; Toher, C.; Curtarolo, S. [Department of Mechanical Engineering and Materials Science and Center for Materials Genomics, Duke University, Durham, North Carolina 27708 (United States)

2016-09-07

Density functional theory calculations were carried out for three entropic rocksalt oxides, (Mg{sub 0.1}Co{sub 0.1}Ni{sub 0.1}Cu{sub 0.1}Zn{sub 0.1})O{sub 0.5}, termed J14, and J14 + Li and J14 + Sc, to understand the role of charge neutrality and electronic states on their properties, and to probe whether simple expressions may exist that predict stability. The calculations predict that the average lattice constants of the ternary structures provide good approximations to that of the random structures. For J14, Bader charges are transferable between the binary, ternary, and random structures. For J14 + Sc and J14 + Li, average Bader charges in the entropic structures can be estimated from the ternary compositions. Addition of Sc to J14 reduces the majority of Cu, which show large displacements from ideal lattice sites, along with reduction of a few Co and Ni cations. Addition of Li to J14 reduces the lattice constant, consistent with experiment, and oxidizes some of Co as well as some of Ni and Cu. The Bader charges and spin-resolved density of states (DOS) for Co{sup +3} in J14 + Li are very different from Co{sup +2}, while for Cu and Ni the Bader charges form continuous distributions and the two DOS are similar for the two oxidation states. Experimental detection of different oxidation states may therefore be challenging for Cu and Ni compared to Co. Based on these results, empirical stability parameters for these entropic oxides may be more complicated than those for non-oxide entropic solids.

Principal parameters of classical multiply charged ion sources

International Nuclear Information System (INIS)

Winter, H.; Wolf, B.H.

1974-01-01

A review is given of the operational principles of classical multiply charged ion sources (operating sources for intense beams of multiply charged ions using discharge plasmas; MCIS). The fractional rates of creation of multiply charged ions in MCIS plasmas cannot be deduced from the discharge parameters in a simple manner; they depend essentially on three principal parameters, the density and energy distribution of the ionizing electrons, and the confinement time of ions in the ionization space. Simple discharge models were used to find relations between principal parameters, and results of model calculations are compared to actually measured charge state density distributions of extracted ions. Details of processes which determine the energy distribution of ionizing electrons (heating effects), confinement times of ions (instabilities), and some technical aspects of classical MCIS (cathodes, surface processes, conditioning, life time) are discussed

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

Energy Technology Data Exchange (ETDEWEB)

Wu, Stephen M. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Electrical and Computer Engineering, University of Rochester, Rochester, New York 14627, USA; Luican-Mayer, Adina [Nanoscience and Technology Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Physics, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada; Bhattacharya, Anand [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Nanoscience and Technology Division, Argonne National Laboratory, Argonne, Illinois 60439, USA

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.

Uncertainty for Part Density Determination: An Update

Energy Technology Data Exchange (ETDEWEB)

Valdez, Mario Orlando [Los Alamos National Laboratory

2016-12-14

Accurate and precise density measurements by hydrostatic weighing requires the use of an analytical balance, configured with a suspension system, to both measure the weight of a part in water and in air. Additionally, the densities of these liquid media (water and air) must be precisely known for the part density determination. To validate the accuracy and precision of these measurements, uncertainty statements are required. The work in this report is a revision of an original report written more than a decade ago, specifically applying principles and guidelines suggested by the Guide to the Expression of Uncertainty in Measurement (GUM) for determining the part density uncertainty through sensitivity analysis. In this work, updated derivations are provided; an original example is revised with the updated derivations and appendix, provided solely to uncertainty evaluations using Monte Carlo techniques, specifically using the NIST Uncertainty Machine, as a viable alternative method.

BULK THERMODYNAMICS AND CHARGE FLUCTUATIONS AT NON-VANISHING BARYON DENSITY

International Nuclear Information System (INIS)

MIAO, C.; SCHMIDT, C.

2007-01-01

We present results on bulk thermodynamic quantities as well as net baryon number, strangeness and electric charge fluctuations in QCD at non-zero density and temperature obtained from lattice calculations with almost physical quark masses for two values of the lattice cut-off aT = 1/4 and 1/6. We show that with our improved p4fa3-action the cut-off effects are under control when using lattices with a temporal extent of 6 or larger and that the contribution to the equation of state, which is due to a finite chemical potential is small for μ q /T < 1. Moreover, at vanishing chemical potential, i.e. under conditions almost realized at RHIC and the LHC, quartic fluctuations of net baryon number and strangeness are large in a narrow temperature interval characterizing the transition region from the low to high temperature phase. At non-zero baryon number density, strangeness fluctuations are enhanced and correlated to fluctuations of the net baryon number. If strangeness is furthermore forced to vanish, as it may be the case in systems created in heavy ion collisions, strangeness fluctuations are significantly smaller than baryon number fluctuations

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

International Nuclear Information System (INIS)

Hahn, Herwig; Kalisch, Holger; Vescan, Andrei; Pécz, Béla; Kovács, András; Heuken, Michael

2015-01-01

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 13  cm –2 allowing to considerably shift the threshold voltage to more positive values

Exact analytical density profiles and surface tension

Indian Academy of Sciences (India)

journal of. May 2005 physics pp. 785–801. Classical charged fluids at equilibrium near ... is provided by the excess surface tension for an air–water interface, which is determined ... the potential drop created by the electric layer which appears as soon as the fluid has ...... radii, by symmetry, the charge density profile is flat,.

Charge properties and bacterial contact-killing of hyperbranched polyurea-polyethyleneimine coatings with various degrees of alkylation

Science.gov (United States)

Roest, Steven; van der Mei, Henny C.; Loontjens, Ton J. A.; Busscher, Henk J.

2015-11-01

Coatings of immobilized-quaternary-ammonium-ions (QUAT) uniquely kill adhering bacteria upon contact. QUAT-coatings require a minimal cationic-charge surface density for effective contact-killing of adhering bacteria of around 1014 cm-2. Quaternization of nitrogen is generally achieved through alkylation. Here, we investigate the contribution of additional alkylation with methyl-iodide to the cationic-charge density of hexyl-bromide alkylated, hyperbranched polyurea-polyethyleneimine coatings measuring charge density with fluorescein staining. X-ray-photoelectron-spectroscopy was used to determine the at.% alkylated-nitrogen. Also streaming potentials, water contact-angles and bacterial contact-killing were measured. Cationic-charge density increased with methyl-iodide alkylation times up to 18 h, accompanied by an increase in the at.% alkylated-nitrogen. Zeta-potentials became more negative upon alkylation as a result of shielding of cationiccharges by hydrophobic alkyl-chains. Contact-killing of Gram-positive Staphylococci only occurred when the cationic-charge density exceeded 1016 cm-2 and was carried by alkylated-nitrogen (electron-binding energy 401.3 eV). Gram-negative Escherichia coli was not killed upon contact with the coatings. There with this study reveals that cationic-charge density is neither appropriate nor sufficient to determine the ability of QUAT-coatings to kill adhering bacteria. Alternatively, the at.% of alkylated-nitrogen at 401.3 eV is proposed, as it reflects both cationic-charge and its carrier. The at.% N401.3 eV should be above 0.45 at.% for Gram-positive bacterial contact-killing.

Charge density wave behavior and order-disorder in the antiferromagnetic metallic series Eu (Ga1 -xAlx)4

Science.gov (United States)

Stavinoha, Macy; Cooley, Joya A.; Minasian, Stefan G.; McQueen, Tyrel M.; Kauzlarich, Susan M.; Huang, C.-L.; Morosan, E.

2018-05-01

The solid solution Eu (Ga1-xAlx) 4 was grown in single crystal form to reveal a rich variety of crystallographic, magnetic, and electronic properties that differ from the isostructural end compounds EuGa4 and EuAl4, despite the similar covalent radii and electronic configurations of Ga and Al. Here we report the onset of magnetic spin reorientation and metamagnetic transitions for x =0 -1 evidenced by magnetization and temperature-dependent specific heat measurements. TN changes nonmonotonously with x , and it reaches a maximum around 20 K for x =0.50 , where the a lattice parameter also shows an extreme (minimum) value. Anomalies in the temperature-dependent resistivity consistent with charge density wave behavior exist only for x =0.50 and 1. Density functional theory calculations show increased polarization between the Ga-Al covalent bonds in the x =0.50 structure compared to the end compounds, such that crystallographic order and chemical pressure are proposed as the causes of the charge density wave behavior.

Determination of space charge region width and diffusion length in Cu(In,Ga)(S,Se)2 absorber from solar cell spectral characteristic

International Nuclear Information System (INIS)

Tivanov, M.; Mazanik, A.; Drozdov, N.; Zaretskaya, E.

2010-01-01

Full text : The space-charge region width and diffusion length of minority charge carriers in the base region (Cu(In,Ga)(S,Se) 2 absorber) are the most important parameters of the solar cell. These parameters determine the efficiency of a solar cell therefore the problem of their control is essential. In this work it is present simple non-destructive method of extracting the parameters of Cu(In,Ga)(S,Se) 2 -based solar cell (space-charge region width and diffusion length of minority charge carriers in Cu(In,Ga)(S,Se) 2 absorber) from the analysis of solar cell spectral photoresponse. The method is based on one-dimensional model of a solar cell and on the change of in-depth distribution of the photogenerated carriers in the solar cell and, hence, on the change of its photoresponse with the wave-length variation. The following assumptions are accepted: the reflection of charge carriers from a back contact and the ''drawing'' field in the quasi-neutral area of the absorber layers are absent, window and buffer layers are transparent in the analyzed part of photoresponse spectrum, the injection level of minority charge carriers is low, the recombination losses at the metallurgical p-n-junction interface of the studied photosensitive structure linearly depend on the photocurrent density. For the calculation it is necessary to obtain the following set of the experimental data: the spectral density of incident radiation, the spectral dependence of photocurrent or photovoltage of the studied photosensitive structure, the spectral dependences of optical absorption coefficient and reflectance.

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.

Determining the Limiting Current Density of Vanadium Redox Flow Batteries

Directory of Open Access Journals (Sweden)

Jen-Yu Chen

2014-09-01

Full Text Available All-vanadium redox flow batteries (VRFBs are used as energy storage systems for intermittent renewable power sources. The performance of VRFBs depends on materials of key components and operating conditions, such as current density, electrolyte flow rate and electrolyte composition. Mass transfer overpotential is affected by the electrolyte flow rate and electrolyte composition, which is related to the limiting current density. In order to investigate the effect of operating conditions on mass transport overpotential, this study established a relationship between the limiting current density and operating conditions. First, electrolyte solutions with different states of charge were prepared and used for a single cell to obtain discharging polarization curves under various operating conditions. The experimental results were then analyzed and are discussed in this paper. Finally, this paper proposes a limiting current density as a function of operating conditions. The result helps predict the effect of operating condition on the cell performance in a mathematical model.

"3"1P Nuclear Magnetic Resonance of Charge-Density-Wave Transition in a Single Crystal of RuP

International Nuclear Information System (INIS)

Fan Guo-Zhi; Luo Jian-Lin; Chen Rong-Yan; Wang Nan-Lin

2015-01-01

We perform "3"1P nuclear magnetic resonance (NMR) measurements on a single crystal of RuP. The anomalies in resistivity at about T_A = 270 K and T_B = 330 K indicate that two phase transitions occur. The line shape of "3"1P NMR spectra in different temperature ranges is attributed to the charge density distribution. The Knight shift and spin-lattice relaxation rate 1/T_1T are measured from 10 K to 300 K. At about T_A = 270 K, they both decrease abruptly with the temperature reduction, which reveals the gap-opening behavior. Well below T_A, they act like the case of normal metal. Charge-density-wave phase transition is proposed to interpret the transition occurring at about T_A. (paper)

Flavor structure of the nucleon electromagnetic form factors and transverse charge densities in the chiral quark-soliton model

Science.gov (United States)

Silva, António; Urbano, Diana; Kim, Hyun-Chul

2018-02-01

We investigate the flavor decomposition of the electromagnetic form factors of the nucleon, based on the chiral quark-soliton model (χQSM) with symmetry-conserving quantization. We consider the rotational 1/N_c and linear strange-quark mass (ms) corrections. We discuss the results of the flavor-decomposed electromagnetic form factors in comparison with the recent experimental data. In order to see the effects of the strange quark, we compare the SU(3) results with those of SU(2). Finally, we discuss the transverse charge densities for both unpolarized and polarized nucleons. The transverse charge density inside a neutron turns out to be negative in the vicinity of the center within the SU(3) χQSM, which can be explained by the contribution of the strange quark.

Charge regulation at semiconductor-electrolyte interfaces.

Science.gov (United States)

Fleharty, Mark E; van Swol, Frank; Petsev, Dimiter N

2015-07-01

The interface between a semiconductor material and an electrolyte solution has interesting and complex electrostatic properties. Its behavior will depend on the density of mobile charge carriers that are present in both phases as well as on the surface chemistry at the interface through local charge regulation. The latter is driven by chemical equilibria involving the immobile surface groups and the potential determining ions in the electrolyte solution. All these lead to an electrostatic potential distribution that propagate such that the electrolyte and the semiconductor are dependent on each other. Hence, any variation in the charge density in one phase will lead to a response in the other. This has significant implications on the physical properties of single semiconductor-electrolyte interfaces and on the electrostatic interactions between semiconductor particles suspended in electrolyte solutions. The present paper expands on our previous publication (Fleharty et al., 2014) and offers new results on the electrostatics of single semiconductor interfaces as well as on the interaction of charged semiconductor colloids suspended in electrolyte solution. Copyright © 2014 Elsevier Inc. All rights reserved.

Direct quantification of negatively charged functional groups on membrane surfaces

KAUST Repository

Tiraferri, Alberto

2012-02-01

Surface charge plays an important role in membrane-based separations of particulates, macromolecules, and dissolved ionic species. In this study, we present two experimental methods to determine the concentration of negatively charged functional groups at the surface of dense polymeric membranes. Both techniques consist of associating the membrane surface moieties with chemical probes, followed by quantification of the bound probes. Uranyl acetate and toluidine blue O dye, which interact with the membrane functional groups via complexation and electrostatic interaction, respectively, were used as probes. The amount of associated probes was quantified using liquid scintillation counting for uranium atoms and visible light spectroscopy for the toluidine blue dye. The techniques were validated using self-assembled monolayers of alkanethiols with known amounts of charged moieties. The surface density of negatively charged functional groups of hand-cast thin-film composite polyamide membranes, as well as commercial cellulose triacetate and polyamide membranes, was quantified under various conditions. Using both techniques, we measured a negatively charged functional group density of 20-30nm -2 for the hand-cast thin-film composite membranes. The ionization behavior of the membrane functional groups, determined from measurements with toluidine blue at varying pH, was consistent with published data for thin-film composite polyamide membranes. Similarly, the measured charge densities on commercial membranes were in general agreement with previous investigations. The relative simplicity of the two methods makes them a useful tool for quantifying the surface charge concentration of a variety of surfaces, including separation membranes. © 2011 Elsevier B.V.

Diverging strains near threshold: Breakdown of the elastic description of a charge density wave model

International Nuclear Information System (INIS)

Mungan, M.; Coppersmith, S.; Vinokur, V.M.

1999-01-01

We analyze the strains near threshold in 1-d charge density wave models at zero temperature and strong pinning. We show that in these models local strains diverge near the depinning threshold and characterize the scaling behavior of the phenomenon. This helps quantify when the underlying elastic description breaks down and plastic effects have to be included

Optimization of cellulose nanocrystal length and surface charge density through phosphoric acid hydrolysis

Science.gov (United States)

Vanderfleet, Oriana M.; Osorio, Daniel A.; Cranston, Emily D.

2017-12-01

Cellulose nanocrystals (CNCs) are emerging nanomaterials with a large range of potential applications. CNCs are typically produced through acid hydrolysis with sulfuric acid; however, phosphoric acid has the advantage of generating CNCs with higher thermal stability. This paper presents a design of experiments approach to optimize the hydrolysis of CNCs from cotton with phosphoric acid. Hydrolysis time, temperature and acid concentration were varied across nine experiments and a linear least-squares regression analysis was applied to understand the effects of these parameters on CNC properties. In all but one case, rod-shaped nanoparticles with a high degree of crystallinity and thermal stability were produced. A statistical model was generated to predict CNC length, and trends in phosphate content and zeta potential were elucidated. The CNC length could be tuned over a relatively large range (238-475 nm) and the polydispersity could be narrowed most effectively by increasing the hydrolysis temperature and acid concentration. The CNC phosphate content was most affected by hydrolysis temperature and time; however, the charge density and colloidal stability were considered low compared with sulfuric acid hydrolysed CNCs. This study provides insight into weak acid hydrolysis and proposes `design rules' for CNCs with improved size uniformity and charge density. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

Microtubule Protofilament Number Is Modulated in a Step-Wise Fashion By the Charge of Density of An Enveloping Layer

International Nuclear Information System (INIS)

Raviv, U.; Nguyen, T.; Ghafouri, R.; Needleman, D.J.; Li, Y.; Miller, H.P.; Wilson, L.; Bruinsma, R.F.; Safinya, C.R.; UC, Santa Barbara; UCLA

2007-01-01

Microtubules are able to adjust their protofilament (PF) number and, as a consequence, their dynamics and function, to the assembly conditions and presence of cofactors. However, the principle behind such variations is poorly understood. Using synchrotron x-ray scattering and transmission electron microscopy, we studied how charged membranes, which under certain conditions can envelop preassembled MTs, regulate the PF number of those MTs. We show that the mean PF number, , is modulated primarily by the charge density of the membranes. decreases in a stepwise fashion with increasing membrane charge density. does not depend on the membrane-protein stoichiometry or the solution ionic strength. We studied the effect of taxol and found that increases logarithmically with taxol/tubulin stoichiometry. We present a theoretical model, which by balancing the electrostatic and elastic interactions in the system accounts for the trends in our findings and reveals an effective MT bending stiffness of order 10-100 k B T/nm, associated with the observed changes in PF number

Effect of nonuniform radial density distribution on the space charge dominated beam bunching

International Nuclear Information System (INIS)

Sing Babu, P.; Goswami, A.; Pandit, V. S.

2011-01-01

Beam dynamics of a space charge dominated beam during the bunch compression is studied self consistently for the case of fixed shape non-uniform bell shape and hollow shape density distributions in the transverse direction. We have used thick slices at different parts of the beam to account for variation in the beam radius in the study of the transverse dynamics. The longitudinal dynamics has been studied using the disc model. The axial variation of the radius of the slices and emittance growth arising from the phase dependence of the transverse rf forces are also included in the simulation. We have modified the beam envelope equation to take into account the longitudinal space charge effect on the transverse motion which arises due to the finite bunch size. To demonstrate the application of the theoretical formulations developed, we have studied a sinusoidal beam bunching system and presented detailed numerical results.

Chiral dynamics and peripheral transverse densities

Energy Technology Data Exchange (ETDEWEB)

Granados, Carlos G. [Uppsala University (Sweden); Weiss, Christian [JLAB, Newport News, VA (United States)

2014-01-01

In the partonic (or light-front) description of relativistic systems the electromagnetic form factors are expressed in terms of frame-independent charge and magnetization densities in transverse space. This formulation allows one to identify the chiral components of nucleon structure as the peripheral densities at transverse distances b = O(M{sub {pi}}{sup -1}) and compute them in a parametrically controlled manner. A dispersion relation connects the large-distance behavior of the transverse charge and magnetization densities to the spectral functions of the Dirac and Pauli form factors near the two--pion threshold at timelike t = 4 M{ sub {pi}}{sup 2}, which can be computed in relativistic chiral effective field theory. Using the leading-order approximation we (a) derive the asymptotic behavior (Yukawa tail) of the isovector transverse densities in the "chiral" region b = O(M{sub {pi}}{sup -1}) and the "molecular" region b = O(M{sub N}{sup 2}/M{sub {pi}}{sup 3}); (b) perform the heavy-baryon expansion of the transverse densities; (c) explain the relative magnitude of the peripheral charge and magnetization densities in a simple mechanical picture; (d) include Delta isobar intermediate states and study the peripheral transverse densities in the large-N{ sub c} limit of QCD; (e) quantify the region of transverse distances where the chiral components of the densities are numerically dominant; (f) calculate the chiral divergences of the b{sup 2}-weighted moments of the isovector transverse densities (charge and anomalous magnetic radii) in the limit M{sub {pi}} -> 0 and determine their spatial support. Our approach provides a concise formulation of the spatial structure of the nucleon's chiral component and offers new insights into basic properties of the chiral expansion. It relates the information extracted from low-t elastic form factors to the generalized parton distributions probed in peripheral high-energy scattering processes.

Impurity-induced modulations in PdxNbSe3 coupled to charge-density-wave formation

Science.gov (United States)

Xue, Q.; Gong, Y.; Drake, D. L.; Qian, J.; Coleman, R. V.

1996-01-01

Very dilute amounts of Pd in PdxNbSe3 introduce long-range electronic modulations of wavelength 7b0, 4b0, 3b0, and 2b0 at room temperature as the Pd concentration increases in the range x=0.002 to x=0.02 while the low-temperature charge-density waves (CDW's) initially remain unchanged. For x>=0.02 the low-temperature CDW's are quenched while the NbSe3 structure remains intact, and the high-temperature modulations disappear, indicating a clear correlation between the two effects. The magnetoquantum oscillations due to magnetic breakdown first detect the band-structure shift followed by the sudden quenching of the nested Fermi surface sheets. The atomic force microscope scans show substantial charge transfer between chains caused by the Pd doping.

Effect of nuclear charge-density distribution, as determined by Hofstadter experiments, on the rate of beta-decay

International Nuclear Information System (INIS)

Badibanga, P.

1975-01-01

The Fermi functions F(E,Z) have been obtained in this paper for allowed transitions in the case of negatron emission. The potential used in solving the coupled pair of Dirac equations has been derived from the so-called Fermi-type charge-density distribution, where the parameters rho 0 , c and a are those from high-energy electron scattering experiments of Hofstadter et al. The following nuclei were investigated: 20 40 C, 23 51 V, 27 59 Co, 49 115 In, 51 122 Sb, 79 197 Au and 83 209 Bi. The kinetic energy of the emitted electrons was varied from 10 KeV to 10 MeV at intervals of 10 keV. Tables of the Fermi functions F(E,Z) for these nuclei are given in this paper. Also the corrections to the shape of the beta-decay energy spectra eta/sub F-H/(E,Z) were evaluated for the same values of the kinetic energy of the emitted electrons for the nuclei under investigation. Tables of these corrections are presented in this paper. It appears from the results obtained that both F(E,Z) and eta/sub F-H/(E,Z) are uniform functions of energy E; as for the variable Z, the curves obtained are not smooth, but have several kinks or breaks in them. We have found a large peak occurring at Z = 27 (Co), and for eta/sub F-H/(E,Z) In has larger values than Sb

Charge exchange of muons in gases

International Nuclear Information System (INIS)

Turner, R.E.; Senba, M.

1983-06-01

The effects of the charge exchange process on muon spin dynamics have been investigated using a density operator formalism with special interest placed upon the diamagnetic muon and paramagnetic muonium signals observed after thermalization. In the charge exchange region the dynamics of the spin density operator is assumed to be determined by the muonium hyperfine interaction and by electron capture and loss processes for muons. Analytical expressions are obtained for the amplitudes and phases of the diamagnetic muon and paramagnetic muonium signals as a function of the duration of the charge exchange region, tsub(c), which is inversely proportional to the number density of the moderating gas. The theoretical signals exhibit three features which have, as yet, to be experimentally observed, namely: i) that the amplitudes associated with the muonium Larmor frequency and with the hyperfine frequency are not, in general, equal, ii) that all the amplitudes are, in general, damped oscillatory functions of tsub(c) (temperature/pressure) and iii) that phase jumps occur when an amplitude decreases to zero and then increases with falling pressure. Fits to the experimental argon data are discussed in light of the above points

Spatially-resolved studies of charge-density-wave phase slip and dynamics in NbSe3

International Nuclear Information System (INIS)

Lemay, S.G.; Adelman, T.L.; Zaitsev-Zotov, S.V.; Thorne, R.E.

1999-01-01

We review our spatially and temporally resolved studies of charge-density-wave (CDW) phase slip and dynamics in NbSe 3 . Measurements of the steady-state CDW current, phase slip and strain profiles and their transient evolutions in response to a change in current direction provide a detailed picture of the interplay between elastic deformations and plasticity in this material. (orig.)

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.

Origin of the charge density wave in 1T-TiSe2

KAUST Repository

Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

2012-01-01

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.

Density determination of sintered ceramic nuclear fuel materials

International Nuclear Information System (INIS)

Landspersky, H.; Medek, J.

1980-01-01

The feasibility was tested of using solids for pycnometric determination of the density of uranium dioxide-based sintered ceramic fuel materials manufactured by the sol-gel method in the shape of spherical particles of 0.7 to 1.0 mm in size and of particles smaller than 200 μm. For fine particles, this is the only usable method of determining their density which is a very important parameter of the fine fraction when it is employed for the manufacture of fuel elements by vibration compacting. The method consists in compacting a mixture of pycnometric material and dispersed particles of uranium dioxide, determining the size and weight of the compact, and in calculating the density of the material measured from the weight of the oxide sample in the mixture. (author)

Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.

Science.gov (United States)

Lara, A; Riquelme, M; Vöhringer-Martinez, E

2018-05-11

Partition coefficients serve in various areas as pharmacology and environmental sciences to predict the hydrophobicity of different substances. Recently, they have also been used to address the accuracy of force fields for various organic compounds and specifically the methylated DNA bases. In this study, atomic charges were derived by different partitioning methods (Hirshfeld and Minimal Basis Iterative Stockholder) directly from the electron density obtained by electronic structure calculations in a vacuum, with an implicit solvation model or with explicit solvation taking the dynamics of the solute and the solvent into account. To test the ability of these charges to describe electrostatic interactions in force fields for condensed phases, the original atomic charges of the AMBER99 force field were replaced with the new atomic charges and combined with different solvent models to obtain the hydration and chloroform solvation free energies by molecular dynamics simulations. Chloroform-water partition coefficients derived from the obtained free energies were compared to experimental and previously reported values obtained with the GAFF or the AMBER-99 force field. The results show that good agreement with experimental data is obtained when the polarization of the electron density by the solvent has been taken into account, and when the energy needed to polarize the electron density of the solute has been considered in the transfer free energy. These results were further confirmed by hydration free energies of polar and aromatic amino acid side chain analogs. Comparison of the two partitioning methods, Hirshfeld-I and Minimal Basis Iterative Stockholder (MBIS), revealed some deficiencies in the Hirshfeld-I method related to the unstable isolated anionic nitrogen pro-atom used in the method. Hydration free energies and partitioning coefficients obtained with atomic charges from the MBIS partitioning method accounting for polarization by the implicit solvation model

Ultrasonically determined fill pressure and density in closed spherical shells

International Nuclear Information System (INIS)

Asaki, T.J.

1998-01-01

Experiments have been conducted in which the D 2 fill pressure has been determined for several closed millimeter-size aluminum and beryllium shells. The vibrational resonance frequency spectrum of the shells was used to calculate the sound velocity of the interior gas. This velocity, along with the equation-of-state, determined the gas pressure and density. The accuracy in determining the fill conditions is within 0.5% in both pressure and density for near critical density (ρ approx-gt 9 mol/L) gas over a wide range of temperatures (190 K to 300 K). Reduced accuracy was apparent at low density. An attempt was made to determine the fill density of one shell by acoustic observation of the dew point temperature. While this temperature was recorded very accurately, the uncertainty in the saturated vapor density curve near the critical point yielded inaccurate results. These methods were shown to be unaffected by small deviations in the sphericity of the gas-filled cavity

Interactions Between Charged Macroions Mediated by Molecules with Rod-like Charged Structures

Directory of Open Access Journals (Sweden)

Bohinc, K.

2014-03-01

Full Text Available A short review of recent theoretical advances in studies of the interaction between highly charged systems embedded in a solution of rod-like molecules is presented. The system is theoretically described by the functional density theory, where the correlations within the rod-like molecules are accounted for. We show that for sufficiently long molecules and large surface charge densities, an attractive force between like-charged surfaces arises due to the spatially distributed charges within the molecules. The added salt has an influence on the condition for the attractive force between like-charged surfaces. The theoretical results are compared with Monte Carlo simulations. Many phenomena motivate the study of the interaction between like-charged surfaces (DNA condensation, virus aggregation, yeast flocculation, cohesion of cement paste.

Comparison study of crosslink density determination in cured rubber

International Nuclear Information System (INIS)

El-sabbagh, S.H.; Yehia, A.A.

2005-01-01

The crosslink density is an important property affecting the major characteristics of cured rubber. The crosslink density can be determined by different methods such as: 1. Dynamic mechanical method using the data of stress-strain relationship. 2. Mooney-Rivlin equation 3. Swelling in organic solvents measurements using Flory-Rehner equation. The crosslink density calculated by the previous methods were discussed and compared with each other for cured NR, SBR and NBR. The obtained data showed that the dynamic-mechanical method can be considered as a simple and reliable method for determination of crosslink density for cured rubbers

Understanding colloidal charge renormilization from surface chemistry : experiment and theory

OpenAIRE

Gisler, Thomas; Schulz, S. F.; Borkovec, Michal; Sticher, Hans; Schurtenberger, Peter; D'Aguanno, Bruno; Klein, Rudolf

1994-01-01

In this paper we report on the charging behavior of latex particles in aqueous suspensions. We use static light scattering and acid-base titrations as complementary techniques to observe both effective and bare particle charges. Acid-base titrations at various ionic strengths provide the pH dependent charging curves. The surface chemical parameters (dissociation constant of the acidic carboxylic groups, total density of ionizable sites and Stem capacitance) are determined from tits of a Stem ...

Density functional calculations of potential energy surface and charge transfer integrals in molecular triphenylene derivative HAT6

NARCIS (Netherlands)

Zbiri, M.; Johnson, M.R.; Kearley, G.J.; Mulder, F.M.

2009-01-01

We investigate the effect of structural fluctuations on charge transfer integrals, overlap integrals, and site energies in a system of two stacked molecular 2,3,6,7,10,11-hexakishexyloxytriphenylene (HAT6), which is a model system for conducting devices in organic photocell applications. A density

Metal-charge density wave coexistence in TTF[Ni(dmit){sub 2}]{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Kaddour, W. [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Laboratoire de Physique de la Matière Condensée, Campus Universitaire, Université de Tunis El-Manar, Tunis 2092 (Tunisia); Auban-Senzier, P.; Raffy, H.; Monteverde, M.; Pouget, J.-P. [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Pasquier, C.R., E-mail: pasquier@lps.u-psud.fr [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Alemany, P. [Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Canadell, E. [Institut de Ciència de Materials de Barcelona (CSIC), Campus UAB, 08193 Bellaterra (Spain); Valade, L. [Laboratoire de Chimie de Coordination, Route de Narbonne F-31077 Toulouse (France)

2015-03-01

We have established a new pressure–temperature phase diagram of TTF[Ni(dmit){sub 2}]{sub 2} based on longitudinal and transverse resistivity measurements under pressure up to 30 kbar. We were able to identify three different charge density wave (CDW) states which all coexist with a metallic state in a wide temperature range and superconductivity at the lowest temperatures. At low pressure, two successive CDW transitions have been clearly identified. These two transitions merge into a single one at 12 kbar. A maximum of this unique CDW transition temperature is observed at 19 kbar.

Density effects in heavy ion charge-exchange processes in gaseous and solid targets

International Nuclear Information System (INIS)

Teplova, Ya.A.; Dmitriev, I.S.; Belkova, Yu.A.

2000-01-01

Experimental results on the pre-equilibrium and equilibrium charge distributions in celluloid films for incident Be, B, C, N, O ions are analyzed in order to obtain charge-exchange cross-sections. The determined 'effective' cross-sections of electron capture and loss in celluloid together with earlier measured analogous cross-sections in nitrogen allow us to calculate charge fractions F i (t) depending on the target thickness in solid (celluloid) and gaseous (nitrogen) matter. The absolute values and the ratios A cap =σ g i,i-1 /σ s i,i-1 and A loss =σ g i-1,i /σ s i-1,i of electron capture and loss cross-sections in {s} solids (celluloid, carbon) and {g} gases (nitrogen) are under consideration

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; 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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; 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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.

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.

A surface structural model for ferrihydrite I: Sites related to primary charge, molar mass, and mass density

Science.gov (United States)

Hiemstra, Tjisse; Van Riemsdijk, Willem H.

2009-08-01

A multisite surface complexation (MUSIC) model for ferrihydrite (Fh) has been developed. The surface structure and composition of Fh nanoparticles are described in relation to ion binding and surface charge development. The site densities of the various reactive surface groups, the molar mass, the mass density, the specific surface area, and the particle size are quantified. As derived theoretically, molecular mass and mass density of nanoparticles will depend on the types of surface groups and the corresponding site densities and will vary with particle size and surface area because of a relatively large contribution of the surface groups in comparison to the mineral core of nanoparticles. The nano-sized (˜2.6 nm) particles of freshly prepared 2-line Fh as a whole have an increased molar mass of M ˜ 101 ± 2 g/mol Fe, a reduced mass density of ˜3.5 ± 0.1 g/cm 3, both relatively to the mineral core. The specific surface area is ˜650 m 2/g. Six-line Fh (5-6 nm) has a molar mass of M ˜ 94 ± 2 g/mol, a mass density of ˜3.9 ± 0.1 g/cm 3, and a surface area of ˜280 ± 30 m 2/g. Data analysis shows that the mineral core of Fh has an average chemical composition very close to FeOOH with M ˜ 89 g/mol. The mineral core has a mass density around ˜4.15 ± 0.1 g/cm 3, which is between that of feroxyhyte, goethite, and lepidocrocite. These results can be used to constrain structural models for Fh. Singly-coordinated surface groups dominate the surface of ferrihydrite (˜6.0 ± 0.5 nm -2). These groups can be present in two structural configurations. In pairs, the groups either form the edge of a single Fe-octahedron (˜2.5 nm -2) or are present at a single corner (˜3.5 nm -2) of two adjacent Fe octahedra. These configurations can form bidentate surface complexes by edge- and double-corner sharing, respectively, and may therefore respond differently to the binding of ions such as uranyl, carbonate, arsenite, phosphate, and others. The relatively low PZC of

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-02-28

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

Interference effects in the nonlinear charge density wave dynamics

International Nuclear Information System (INIS)

Jelcic, D.; Batistic, I.; Bjelis, A.

1987-12-01

The main features of the nonlinear charge density wave transport in the external dc-ac field are shown to be the natural consequences of resonant phase slip diffusion. This process is treated numerically within the time dependent Landau-Ginzburg model, developed by Gor'kov. The resonances in the ac field are manifested as Shapiro steps in I-V characteristics, present at all rational ratios of internal frequency of current oscillations and external ac frequency. The origin of Shapiro steps, as well as their forms and heights, are cosidered in detail. In particular, it is shown that close to resonances the phase slip voltage acquires a highly nonsinusoidal modulation which leads to the appearance of low frequency and satellite peaks in the Fourier spectrum. Taking into account the interference of adjacent phase slips and the segment or domain structure of physical samples, we interpret the finite width of steps, side wings, synchronization, incomplete and complete mode locking and some other effects observed in numerous experiments on NbSe 3 and other CDW materials. (author). 36 refs, 12 figs

Impurity-induced modulations in PdxNbSe3 coupled to charge-density-wave formation

International Nuclear Information System (INIS)

Xue, Q.; Gong, Y.; Drake, D.L.; Qian, J.; Coleman, R.V.

1996-01-01

Very dilute amounts of Pd in Pd x NbSe 3 introduce long-range electronic modulations of wavelength 7b 0 , 4b 0 , 3b 0 , and 2b 0 at room temperature as the Pd concentration increases in the range x=0.002 to x=0.02 while the low-temperature charge-density waves (CDW close-quote s) initially remain unchanged. For x≥0.02 the low-temperature CDW close-quote s are quenched while the NbSe 3 structure remains intact, and the high-temperature modulations disappear, indicating a clear correlation between the two effects. The magnetoquantum oscillations due to magnetic breakdown first detect the band-structure shift followed by the sudden quenching of the nested Fermi surface sheets. The atomic force microscope scans show substantial charge transfer between chains caused by the Pd doping. copyright 1996 The American Physical Society

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

Science.gov (United States)

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

2011-08-28

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

Direct convertor based upon space charge effects

International Nuclear Information System (INIS)

Gitomer, S.J.

1977-01-01

A device capable of converting directly the kinetic energy of charged particles into electrical energy is considered. The device differs from earlier ones (such as Post's periodic focus electrostatic direct convertor) in that it makes use of the space charge repulsion in a high density charged particle beam. The beam is directed into a monotonic decelerating electrostatic field of a several-stage planar-finned structure. The collector fins coincide with vacuum equipotential surfaces. Space charge blowup of the beam directs particles onto various collector fins. The energy efficiency of a 4-stage device has been determined using a numberical simulation approach. We find that efficiencies approaching 75 percent are possible. An approximate scaling law is derived for the space charge based direct converter and a comparison is made to the periodic focus direct convertor. We find the space charge based direct convertor to be superior to a number of ways

Excited State Charge Transfer reaction with dual emission from 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile: Spectral measurement and theoretical density functional theory calculation

Science.gov (United States)

Jana, Sankar; Dalapati, Sasanka; Ghosh, Shalini; Kar, Samiran; Guchhait, Nikhil

2011-07-01

The excited state intramolecular charge transfer process in donor-chromophore-acceptor system 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile (DMAPPDN) has been investigated by steady state absorption and emission spectroscopy in combination with Density Functional Theory (DFT) calculations. This flexible donor acceptor molecule DMAPPDN shows dual fluorescence corresponding to emission from locally excited and charge transfer state in polar solvent. Large solvatochromic emission shift, effect of variation of pH and HOMO-LUMO molecular orbital pictures support excited state intramolecular charge transfer process. The experimental findings have been correlated with the calculated structure and potential energy surfaces based on the Twisted Intramolecular Charge Transfer (TICT) model obtained at DFT level using B3LYP functional and 6-31+G( d, p) basis set. The theoretical potential energy surfaces for the excited states have been generated in vacuo and acetonitrile solvent using Time Dependent Density Functional Theory (TDDFT) and Time Dependent Density Functional Theory Polarized Continuum Model (TDDFT-PCM) method, respectively. All the theoretical results show well agreement with the experimental observations.

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...

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; 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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; 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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...

Density determination of nail polishes and paint chips using magnetic levitation

Science.gov (United States)

Huang, Peggy P.

Trace evidence is often small, easily overlooked, and difficult to analyze. This study describes a nondestructive method to separate and accurately determine the density of trace evidence samples, specifically nail polish and paint chip using magnetic levitation (MagLev). By determining the levitation height of each sample in the MagLev device, the density of the sample is back extrapolated using a standard density bead linear regression line. The results show that MagLev distinguishes among eight clear nail polishes, including samples from the same manufacturer; separates select colored nail polishes from the same manufacturer; can determine the density range of household paint chips; and shows limited levitation for unknown paint chips. MagLev provides a simple, affordable, and nondestructive means of determining density. The addition of co-solutes to the paramagnetic solution to expand the density range may result in greater discriminatory power and separation and lead to further applications of this technique.

Charge transport and recombination in bulk heterojunction solar cells studied by the photoinduced charge extraction in linearly increasing voltage technique

Science.gov (United States)

Mozer, A. J.; Sariciftci, N. S.; Lutsen, L.; Vanderzande, D.; Österbacka, R.; Westerling, M.; Juška, G.

2005-03-01

Charge carrier mobility and recombination in a bulk heterojunction solar cell based on the mixture of poly[2-methoxy-5-(3,7-dimethyloctyloxy)-phenylene vinylene] (MDMO-PPV) and 1-(3-methoxycarbonyl)propyl-1-phenyl-(6,6)-C61 (PCBM) has been studied using the novel technique of photoinduced charge carrier extraction in a linearly increasing voltage (Photo-CELIV). In this technique, charge carriers are photogenerated by a short laser flash, and extracted under a reverse bias voltage ramp after an adjustable delay time (tdel). The Photo-CELIV mobility at room temperature is found to be μ =2×10-4cm2V-1s-1, which is almost independent on charge carrier density, but slightly dependent on tdel. Furthermore, determination of charge carrier lifetime and demonstration of an electric field dependent mobility is presented.

Charge Injection and Current Flow in Organic Light Emitting Diodes

Science.gov (United States)

Smith, D. L.; Davids, P. S.; Heller, C. M.; Crone, B. K.; Campbell, I. H.; Barashkov, N. N.; Ferraris, J. P.

1997-03-01

We present a comparison between device model calculations and current-voltage measurements for a series of organic LED structures. The Schottky energy barrier of an injecting contact is systematically varied by changing the metal used to form that contact. The current-voltage characteristics of the structures are described using a device model that considers charge injection, transport and space charge effects in the low mobility organic material. Charge injection into the organic material is controlled by the Schottky energy barrier of the metal/organic contact. For Schottky energy barriers greater than about 0.4 eV injection into the organic material is the principal limitation to current flow. In this regime the net injected charge density is relatively small, the electric field in the structure is nearly uniform, and space charge effects are not important. For smaller energy barriers relatively large charge densities are injected into the organic material and space charge effects become the dominant limit to current flow. The measured current-voltage characteristics are quantitatively described by the device model using Schottky barrier values independently determined by internal photoemission and electroabsorption measurements.

Determination of neutron flux densities in WWR-S reactor core

International Nuclear Information System (INIS)

Tomasek, F.

1989-04-01

The method is described of determining neutron flux densities and neutron fluences using activation detectors. The basic definitions and relations for determining reaction rates, fluence and neutron flux as well as the characteristics of some reactions and of sitable activation detectors are reported. The flux densities were determined of thermal and fast neutrons and of gamma quanta in the WWR-S reactor core. The data measured in the period 1984-1987 are tabulated. Cross sections for the individual reactions were determined from spectra measurements processed using program SAND-II and cross section library ENDF-B IV. Neutron flux densities were also measured for the WWR-S reactor vertical channels. (E.J.). 10 figs., 8 tabs., 111 refs

Investigation of charges carrier density in phosphorus and boron doped SiNx:H layers for crystalline silicon solar cells

International Nuclear Information System (INIS)

Paviet-Salomon, B.; Gall, S.; Slaoui, A.

2013-01-01

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 fix ) and the effective lifetimes (τ 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 eff than standard undoped layers. In contrast, B-doped layers exhibit lower τ eff . A strong Q 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

Quasiparticle interference, quasiparticle interactions, and the origin of the charge density wave in 2H-NbSe2.

Science.gov (United States)

Arguello, C J; Rosenthal, E P; Andrade, E F; Jin, W; Yeh, P C; Zaki, N; Jia, S; Cava, R J; Fernandes, R M; Millis, A J; Valla, T; Osgood, R M; Pasupathy, A N

2015-01-23

We show that a small number of intentionally introduced defects can be used as a spectroscopic tool to amplify quasiparticle interference in 2H-NbSe2 that we measure by scanning tunneling spectroscopic imaging. We show, from the momentum and energy dependence of the quasiparticle interference, that Fermi surface nesting is inconsequential to charge density wave formation in 2H-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 wave vector and energy dependence of the important electronic scattering processes thereby obtaining direct information both about the fermiology and the interactions. In 2H-NbSe2, we use this combination to confirm that the important near-Fermi-surface electronic physics is dominated by the coupling of the quasiparticles to soft mode phonons at a wave vector different from the charge density wave ordering wave vector.

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.

2017-05-01

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 NbSe3 . 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.

Determination of liquid metal density using X-radiography

International Nuclear Information System (INIS)

Mel'nik, B.A.

1978-01-01

A method for measuring molten metal densities based on the determination of the critical angle of complete external X-ray reflection angle is proposed. A good agreement between the experimental and reported data is exemplified by density measurements of liquid Ga, In and Hg at different temperatures. The theoretical method accuracy is 0.2%

Bouguer correction density determination from fractal analysis using ...

African Journals Online (AJOL)

In this work, Bouguer density is determined using the fractal approach. This technique was applied to the gravity data of the Kwello area of the Basement Complex, north-western Nigeria. The density obtained using the fractal approach is 2500 kgm which is lower than the conventional value of 2670 kgm used for average ...

Surface determinants of low density lipoprotein uptake by endothelial cells

International Nuclear Information System (INIS)

Goeroeg, P.; Pearson, J.D.

1984-01-01

The surface sialic acid content of aortic endothelial cells in vitro was substantially lower in sparse cultures than at confluence. Binding of LDL to endothelial cells did not change at different culture densities and was unaffected by brief pretreatment with neuraminidase to partially remove surface sialic acid residues. In contrast, internalisation of LDL declined by a factor of 3 between low density cell cultures and confluent monolayers; neuraminidase pretreatment increased LDL uptake and the effect was most marked (>10-fold) at confluence. Pretreatment with cationised ferritin, which removed most of the surface sialic acid residues as well as glycosaminoglycans, increased LDL internalisation by up to 20-fold, again with most effect on confluent monolayers. Thus LDL uptake is inversely correlated with sialic acid content. We conclude that changes in the surface density of sialic acid (and possibly other charged) residues significantly modulate endothelial LDL uptake, and suggest that focal increases in LDL accumulation during atherogenesis may be related to alterations in endothelial endocytic properties at sites of increased cell turnover or damage. (author)

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; Padilla, F; Pagano, P; Jayarathna, S P; Paic, 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; Perez Lara, C E; Perini, D; Perrino, D; Peryt, W; Pesci, A; Peskov, V; Pestov, Y; Peters, A J; Petracek, 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; Ploskon, M; Pluta, J; Pocheptsov, T; Pochybova, S; Podesta-Lerma, P L M; Poghosyan, M G; Polak, K; Polichtchouk, B; Pop, A; Porteboeuf, S; Pospisil, V; Potukuchi, B; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puddu, G; Pulvirenti, A; Punin, V; Putis, M; Putschke, J; Quercigh, E; Qvigstad, H; Rachevski, A; Rademakers, A; Rademakers, O; Radomski, S; Raiha, T S; Rak, J; Rakotozafindrabe, A; Ramello, L; Ramirez Reyes, A; Rammler, M; Raniwala, R; Raniwala, S; Rasanen, 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; Rodriguez Cahuantzi, M; Rohr, D; Rohrich, D; Romita, R; Ronchetti, F; Rosinsky, P; Rosnet, P; Rossegger, S; Rossi, A; Roukoutakis, F; Rousseau, S; Roy, C; Roy, P; Rubio Montero, A J; Rui, R; Rivetti, A; Rusanov, I; Ryabinkin, E; Rybicki, A; Sadovsky, S; Safarik, K; Sahoo, R; Sahu, P K; Saini, J; Saiz, P; Sakai, S; Sakata, D; Salgado, C A; Samanta, T; Sambyal, S; Samsonov, V; Sanchez Castro, X; Sandor, 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; Sogaard, 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; Subieta Vasquez, M A; Sugitate, T; Suire, C; Sukhorukov, M; 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 Munoz, G; Telesca, A; Terrevoli, C; Thader, 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; 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.

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.

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...... and experimental values along the series support the picture of itinerant 5f electronic states in Th to Pu. The increased deviation between theory and experiment found in Np and Pu may be an indication of correlation effects not included in the local density approximation....

Exploring the Binding of Barbital to a Synthetic Macrocyclic Receptor; a Charge Density Study

DEFF Research Database (Denmark)

Du, Jonathan J.; Hanrahan, Jane Rouse; Solomon, V. Raja

2018-01-01

Experimental charge density distribution studies, complemented by quantum mechanical theoretical calculations, of a host-guest system comprised of a macrocycle (1) and barbital (2) in a 1:1 ratio (3) have been carried out via high resolution single crystal X-ray diffraction. The data was modelled...... molecule. Visual comparison of the conformations of the macrocyclic ring shows the rotation by 180° of an amide bond attributed to competitive hydrogen bonding. It was found the intraannular and extraannular molecules inside were orientated to maximise the number of hydrogen bonds present...

Methods for studying plasma charge transport across a magnetic field

International Nuclear Information System (INIS)

Popovich, A.S.

1978-01-01

A comparative analysis of experimental methods for the diffusion transfer of plasma charged particles accross the magnetic field at the study of its confinement effectiveness, instability effect is carried out. Considered are the methods based on the analysis of particle balance in the charge and possibilities of diffusion coefficient determination according to measuring parameters of density gradient and particle flow on the wall, rate of plasma decay after switching off ionization source radial profile of plasma density outside the active region of stationary charge. Much attension is payed to the research methods of diffusion transfer, connected with the study of propagation of periodic and aperiodic density perturbation in a plasma. Analysed is the Golubev and Granovsky method of diffusion waves and its different modifications, phase analysis method of ''test charges'' movement, as well as different modifications of correlation methods. Considered are physical preconditions of the latter and criticized is unilateral interpretation of correlation measurings, carried out in a number of works. The analysis of study possibilities of independent (non-ambipolar) diffusion of electrons and ions in a plasma in the magnetic field is executed

Selective determination of dopamine using quantum-sized gold nanoparticles protected with charge selective ligands

Science.gov (United States)

Kwak, Kyuju; Kumar, S. Senthil; Lee, Dongil

2012-06-01

We report here the selective determination of dopamine (DA) using quantum-sized gold nanoparticles coated with charge selective ligands. Glutathione protected gold nanoparticles (GS-Au25) were synthesized and immobilized into a sol-gel matrix via thiol linkers. The GS-Au25 modified sol-gel electrode was found to show excellent electrocatalytic activity towards the oxidation of DA but no activity towards the oxidation of ascorbic acid. The role of electrostatic charge in the selective electrocatalytic activity of GS-Au25 was verified by voltammetry of redox markers carrying opposite charges. The pH dependent sensitivity for the determination of DA further confirmed the charge screening effect of GS-Au25. Mechanistic investigation revealed that the selectivity is attained by the selective formation of an electrostatic complex between the negatively charged GS-Au25 and DA cation. The GS-Au25 modified sol-gel electrode also showed excellent selectivity for DA in the presence of an interferent, ascorbic acid.We report here the selective determination of dopamine (DA) using quantum-sized gold nanoparticles coated with charge selective ligands. Glutathione protected gold nanoparticles (GS-Au25) were synthesized and immobilized into a sol-gel matrix via thiol linkers. The GS-Au25 modified sol-gel electrode was found to show excellent electrocatalytic activity towards the oxidation of DA but no activity towards the oxidation of ascorbic acid. The role of electrostatic charge in the selective electrocatalytic activity of GS-Au25 was verified by voltammetry of redox markers carrying opposite charges. The pH dependent sensitivity for the determination of DA further confirmed the charge screening effect of GS-Au25. Mechanistic investigation revealed that the selectivity is attained by the selective formation of an electrostatic complex between the negatively charged GS-Au25 and DA cation. The GS-Au25 modified sol-gel electrode also showed excellent selectivity for DA in the

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...... and charge density wave order. Thus a fundamental question is to what extent do these ordered states exist for compositions close to optimal for superconductivity. Here we use high-energy X-ray diffraction to show that a CDW develops at zero field in the normal state of superconducting YBa2Cu3O6.67 (Tc= 67 K......). This sample has a hole doping of 0.12 per copper and a well-ordered oxygen chain superstructure. Below Tc, the application of a magnetic field suppresses superconductivity and enhances the CDW. Hence, the CDW and superconductivity in this typical high-Tc material are competing orders with similar energy...

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.

Effect of hydrogen charging on the mechanical properties of medium strength aluminium alloys 2091 and 2014

DEFF Research Database (Denmark)

Bandopadhyay, A.; Ambat, Rajan; Dwarakadasa, E.S.

1992-01-01

Cathodic hydrogen charging in 3.5% NaCl solution altered the mechanical properties of 2091-T351 (Al-Cu-Li-Mg-Zr) determined by a slow (10(-3)/s) strain rate tensile testing technique. UTS and YS decreased in the caw of 2091-T351 and 2014-T6(Al-Cu-Mn-Si-Mg) with increase in charging current density....... Elongation showed a decrease with increase in charging current density for both the alloys. However, elongation occurring throughout the gauge length in uncharged specimens changed over to localized deformation, thus increasing the reduction in area in charged specimens. A transition in fracture mode from...

Electron-beam-charged dielectrics: Internal charge distribution

Science.gov (United States)

Beers, B. L.; Pine, V. W.

1981-01-01

Theoretical calculations of an electron transport model of the charging of dielectrics due to electron bombardment are compared to measurements of internal charge distributions. The emphasis is on the distribution of Teflon. The position of the charge centroid as a function of time is not monotonic. It first moves deeper into the material and then moves back near to the surface. In most time regimes of interest, the charge distribution is not unimodal, but instead has two peaks. The location of the centroid near saturation is a function of the incident current density. While the qualitative comparison of theory and experiment are reasonable, quantitative comparison shows discrepancies of as much as a factor of two.

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.

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.

Charge symmetry breaking nuclear forces and the properties of nuclear matter

International Nuclear Information System (INIS)

Haensel, P.

1977-01-01

The charge symmetry breaking (CSB) component of the nuclear forces yields the charge asymmetric term Esub(a)(N-Z)/A in the nuclear binding energy of nuclear matter. Calculation performed with several models of the CSB nuclear forces, and accounting for the strong short-range two-body correlations, gives Esub(a) approximately -0.2 MeV at the normal nuclear density. The charge asymmetry of the effective nucleon-nucleon interaction is determined primarily by the CSB nuclear forces at the neutron excess, observed in finite nuclei. The exclusion principle and dispersion (self-consistency) effects of the nuclear medium decrease this charge asymmetry. (author)

Effect of high magnetic fields on the charge density wave properties of KMo 6O 17

Science.gov (United States)

Rötger, A.; Dumas, J.; Marcus, J.; Schlenker, C.; Ulmet, J. P.; Audouard, A.; Askenazy, S.

1992-03-01

The electrical resistivity of the purple bronze KMo 6O 17 has been studied between 2 and 88 K with pulsed magnetic fields up to 35 T. Several anomalies are found on the curves Δρ/ρ(B) at different temperatures. The low field results are compared with previous measurements of susceptibility and magnetization. A phase diagram which may show a field displaced charge density wave instability and field induced transitions is proposed.

The use of infrared absorption to determine density of liquid hydrogen.

Science.gov (United States)

Unland, H. D.; Timmerhaus, K. D.; Kropschot, R. H.

1972-01-01

Experimental evaluation of the use of infrared absorption for determining the density of liquid hydrogen, and discussion of the feasibility of an airborne densitometer based on this concept. The results indicate that infrared absorption of liquid hydrogen is highly sensitive to the density of hydrogen, and, under the operating limitations of the equipment and experimental techniques used, the determined values proved to be repeatable to an accuracy of 2.7%. The desiderata and limitations of an in-flight density-determining device are outlined, and some of the feasibility problems are defined.

Understanding colloidal charge renormalization from surface chemistry: Experiment and theory

Science.gov (United States)

Gisler, T.; Schulz, S. F.; Borkovec, M.; Sticher, H.; Schurtenberger, P.; D'Aguanno, B.; Klein, R.

1994-12-01

In this paper we report on the charging behavior of latex particles in aqueous suspensions. We use static light scattering and acid-base titrations as complementary techniques to observe both effective and bare particle charges. Acid-base titrations at various ionic strengths provide the pH dependent charging curves. The surface chemical parameters (dissociation constant of the acidic carboxylic groups, total density of ionizable sites and Stern capacitance) are determined from fits of a Stern layer model to the titration data. We find strong evidence that the dissociation of protons is the only specific adsorption process. Effective particle charges are determined by fits of integral equation calculations of the polydisperse static structure factor to the static light scattering data. A generalization of the Poisson-Boltzmann cell model including the dissociation of the acidic surface groups and the autodissociation of water is used to predict effective particle charges from the surface chemical parameters determined by the titration experiments. We find that the light scattering data are best described by a model where a small fraction of the ionizable surface sites are sulfate groups which are completely dissociated at moderate pH. These effective charges are comparable to the predictions by a basic cell model where charge regulation is absent.

Atmospheric density determination using high-accuracy satellite GPS data

Science.gov (United States)

Tingling, R.; Miao, J.; Liu, S.

2017-12-01

Atmospheric drag is the main error source in the orbit determination and prediction of low Earth orbit (LEO) satellites, however, empirical models which are used to account for atmosphere often exhibit density errors around 15 30%. Atmospheric density determination thus become an important topic for atmospheric researchers. Based on the relation between atmospheric drag force and the decay of orbit semi-major axis, we derived atmospheric density along the trajectory of CHAMP with its Rapid Science Orbit (RSO) data. Three primary parameters are calculated, including the ratio of cross sectional area to mass, drag coefficient, and the decay of semi-major axis caused by atmospheric drag. We also analyzed the source of error and made a comparison between GPS-derived and reference density. Result on 2 Dec 2008 shows that the mean error of GPS-derived density can decrease from 29.21% to 9.20% when time span adopted on the process of computation increase from 10min to 50min. Result for the whole December indicates that when the time span meet the condition that the amplitude of the decay of semi-major axis is much greater than its standard deviation, then density precision of 10% can be achieved.

Determination of the nuclear electric charge distribution of samarium isotopes 144, 148, 150, 152, 154 by the muonic atom method

International Nuclear Information System (INIS)

Barreau, Pierre.

1977-01-01

The theory of the nucleus-negative muon system in the case of electrical interactions is discussed. The interactions of muons with the samarium isotopes 152, 154, 144, 148, 150 are investigated. After a description of the experimental device, from muon beam production to data acquisition (detection of the gamma spectra), the results are analyzed and the nuclear charge distribution parameters determined: for each isotope the absolute value of c (half-density radius) and t (skin thickness); for 152 Sm and 154 Sm the parameter β 2 (quadrupolar defomation). Nuclear polarization was accounted for throughout the analysis [fr

Electronic Transport Behaviors due to Charge Density Waves in Ni-Nb-Zr-H Glassy Alloys

Science.gov (United States)

Fukuhara, Mikio; Umemori, Yoshimasa

2013-11-01

The amorphous Ni-Nb-Zr-H glassy alloy containing subnanometer-sized icosahedral Zr5 Nb5Ni3 clusters exhibited four types of electronic phenomena: a metal/insulator transition, an electric current-induced voltage oscillation (Coulomb oscillation), giant capacitor behavior and an electron avalanche with superior resistivity. These findings could be excluded by charge density waves that the low-dimensional component of clusters, in which the atoms are lined up in chains along the [130] direction, plays important roles in various electron transport phenomena.

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

CERN Document Server

Abelev, Betty; Adamova, Dagmar; Adare, Andrew Marshall; Aggarwal, Madan; Aglieri Rinella, Gianluca; Agnello, Michelangelo; Agocs, Andras Gabor; Agostinelli, Andrea; Ahammed, Zubayer; Ahmad, Nazeer; Ahmad, Arshad; Ahn, Sang Un; Ahn, Sul-Ah; Ajaz, Muhammad; Akindinov, Alexander; Aleksandrov, Dmitry; Alessandro, Bruno; Alfaro Molina, Jose Ruben; 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; 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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; 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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

2013-01-18

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.

Charge Transport in Spiro-OMeTAD Investigated through Space-Charge-Limited Current Measurements

Science.gov (United States)

Röhr, Jason A.; Shi, Xingyuan; Haque, Saif A.; Kirchartz, Thomas; Nelson, Jenny

2018-04-01

Extracting charge-carrier mobilities for organic semiconductors from space-charge-limited conduction measurements is complicated in practice by nonideal factors such as trapping in defects and injection barriers. Here, we show that by allowing the bandlike charge-carrier mobility, trap characteristics, injection barrier heights, and the shunt resistance to vary in a multiple-trapping drift-diffusion model, a numerical fit can be obtained to the entire current density-voltage curve from experimental space-charge-limited current measurements on both symmetric and asymmetric 2 ,2',7 ,7' -tetrakis(N ,N -di-4-methoxyphenylamine)-9 ,9' -spirobifluorene (spiro-OMeTAD) single-carrier devices. This approach yields a bandlike mobility that is more than an order of magnitude higher than the effective mobility obtained using analytical approximations, such as the Mott-Gurney law and the moving-electrode equation. It is also shown that where these analytical approximations require a temperature-dependent effective mobility to achieve fits, the numerical model can yield a temperature-, electric-field-, and charge-carrier-density-independent mobility. Finally, we present an analytical model describing trap-limited current flow through a semiconductor in a symmetric single-carrier device. We compare the obtained charge-carrier mobility and trap characteristics from this analytical model to the results from the numerical model, showing excellent agreement. This work shows the importance of accounting for traps and injection barriers explicitly when analyzing current density-voltage curves from space-charge-limited current measurements.

Spectroscopic analysis and charge transfer interaction studies of 4-benzyloxy-2-nitroaniline insecticide: A density functional theoretical approach

Science.gov (United States)

Arul Dhas, D.; Hubert Joe, I.; Roy, S. D. D.; Balachandran, S.

2015-01-01

A widespread exploration on the intra-molecular charge transfer interaction through an efficient π-conjugated path from a strong electron-donor group (amino) to a strong electron-acceptor group (nitro) has been carried out using FTIR, FT-Raman, UV-Vis, fluorescence and NMR spectra on insecticide compound 4-benzyloxy-2-nitroaniline. Density functional theory method is used to determine optimized molecular geometry, harmonic vibrational wavenumbers and intensities using 6-311G(d,p) basis set by means of Gaussian 09W program suit. A comprehensive investigation on the sp2 to sp3 hybridization and non-planarity property has been performed. Natural bond orbital analysis is used to study the existence of C-H⋯O, N-H⋯O and C-H⋯π proper and improper hydrogen bonds. The HOMO and LUMO analysis reveals the possibility of charge transfer within the molecule. A complete assignment of the experimental absorption peaks in the ultraviolet region has also been performed. Isotropic chemical shifts of 13C, 1H, 15N and 18O NMR and nuclear spin-spin coupling constants have been computed using the gauge-invariant atomic orbital method. The biological activity of substituent amino and nitro groups are evident from the hydrogen bonds through which the target amino acids are linked to the drug as evidenced from molecular docking.

Determination of sin$^{2}\\vartheta^{eff}_{W}$ using jet charge measurements in hadronic Z decays

CERN Document Server

Buskulic, Damir; Décamp, D; Ghez, P; Goy, C; Lees, J P; Lucotte, A; Minard, M N; Odier, P; Pietrzyk, B; Chmeissani, M; Crespo, J M; Delfino, M C; Efthymiopoulos, I; Fernández, E; Fernández-Bosman, M; Garrido, L; Juste, A; Martínez, M; Orteu, S; Pacheco, A; Padilla, C; Pascual, A; Perlas, J A; Riu, I; Sánchez, F; Teubert, F; Colaleo, A; Creanza, D; De Palma, M; Gelao, G; Girone, M; Iaselli, Giuseppe; Maggi, G; Maggi, M; Marinelli, N; Nuzzo, S; Ranieri, A; Raso, G; Ruggieri, F; Selvaggi, G; Silvestris, L; Tempesta, P; Zito, G; Huang, X; Lin, J; Ouyang, Q; Wang, T; Xie, Y; Xu, R; Xue, S; Zhang, J; Zhang, L; Zhao, W; Alemany, R; Bazarko, A O; Bonvicini, G; Cattaneo, M; Comas, P; Coyle, P; Drevermann, H; Forty, Roger W; Frank, M; Hagelberg, R; Harvey, J; Janot, P; Jost, B; Kneringer, E; Knobloch, J; Lehraus, Ivan; Martin, E B; Mato, P; Minten, Adolf G; Miquel, R; Mir, L M; Moneta, L; Oest, T; Palla, Fabrizio; Pater, J R; Pusztaszeri, J F; Ranjard, F; Rensing, P E; Rolandi, Luigi; Schlatter, W D; Schmelling, M; Schneider, O; Tejessy, W; Tomalin, I R; Venturi, A; Wachsmuth, H W; Wagner, A; Wildish, T; Ajaltouni, Ziad J; Barrès, A; Boyer, C; Falvard, A; Gay, P; Guicheney, C; Henrard, P; Jousset, J; Michel, B; Monteil, S; Montret, J C; Pallin, D; Perret, P; Podlyski, F; Proriol, J; Rossignol, J M; Fearnley, Tom; Hansen, J B; Hansen, J D; Hansen, J R; Hansen, P H; Nilsson, B S; Wäänänen, A; Kyriakis, A; Markou, C; Simopoulou, Errietta; Siotis, I; Vayaki, Anna; Zachariadou, K; Blondel, A; Bonneaud, G R; Brient, J C; Bourdon, P; Rougé, A; Rumpf, M; Valassi, Andrea; Verderi, M; Videau, H L; Candlin, D J; Parsons, M I; Focardi, E; Parrini, G; Corden, M; Georgiopoulos, C H; Jaffe, D E; Antonelli, A; Bencivenni, G; Bologna, G; Bossi, F; Campana, P; Capon, G; Casper, David William; Chiarella, V; Felici, G; Laurelli, P; Mannocchi, G; Murtas, F; Murtas, G P; Passalacqua, L; Pepé-Altarelli, M; Curtis, L; Dorris, S J; Halley, A W; Knowles, I G; Lynch, J G; O'Shea, V; Raine, C; Reeves, P; Scarr, J M; Smith, K; Thompson, A S; Thomson, F; Thorn, S; Turnbull, R M; Becker, U; Geweniger, C; Graefe, G; Hanke, P; Hansper, G; Hepp, V; Kluge, E E; Putzer, A; Rensch, B; Schmidt, M; Sommer, J; Stenzel, H; Tittel, K; Werner, S; Wunsch, M; Abbaneo, D; Beuselinck, R; Binnie, David M; Cameron, W; Dornan, Peter J; Moutoussi, A; Nash, J; Sedgbeer, J K; Stacey, A M; Williams, M D; Dissertori, G; Girtler, P; Kuhn, D; Rudolph, G; Bowdery, C K; Colrain, P; Crawford, G; Finch, A J; Foster, F; Hughes, G; Sloan, Terence; Whelan, E P; Williams, M I; Galla, A; Greene, A M; Kleinknecht, K; Quast, G; Renk, B; Rohne, E; Sander, H G; Van Gemmeren, P; Zeitnitz, C; Aubert, Jean-Jacques; Bencheikh, A M; Benchouk, C; Bonissent, A; Bujosa, G; Calvet, D; Carr, J; Diaconu, C A; Etienne, F; Konstantinidis, N P; Payre, P; Rousseau, D; Talby, M; Sadouki, A; Thulasidas, M; Trabelsi, K; Abt, I; Assmann, R W; Bauer, C; Blum, Walter; Dietl, H; Dydak, Friedrich; Ganis, G; Gotzhein, C; Jakobs, K; Kroha, H; Lütjens, G; Lutz, Gerhard; Männer, W; Moser, H G; Richter, R H; Rosado-Schlosser, A; Schael, S; Settles, Ronald; Seywerd, H C J; Saint-Denis, R; Wiedenmann, W; Wolf, G; Boucrot, J; Callot, O; Cordier, A; Davier, M; Duflot, L; Grivaz, J F; Heusse, P; Jacquet, M; Kim, D W; Le Diberder, F R; Lefrançois, J; Lutz, A M; Nikolic, I A; Park, H J; Park, I C; Schune, M H; Simion, S; Veillet, J J; Videau, I; Azzurri, P; Bagliesi, G; Batignani, G; Bettarini, S; Bozzi, C; Calderini, G; Carpinelli, M; Ciocci, M A; Ciulli, V; Dell'Orso, R; Fantechi, R; Ferrante, I; Foà, L; Forti, F; Giassi, A; Giorgi, M A; Gregorio, A; Ligabue, F; Lusiani, A; Marrocchesi, P S; Messineo, A; Rizzo, G; Sanguinetti, G; Sciabà, A; Spagnolo, P; Steinberger, Jack; Tenchini, Roberto; Tonelli, G; Vannini, C; Verdini, P G; Walsh, J; Betteridge, A P; Blair, G A; Bryant, L M; Cerutti, F; Chambers, J T; Gao, Y; Green, M G; Medcalf, T; Perrodo, P; Strong, J A; Von Wimmersperg-Töller, J H; Botterill, David R; Clifft, R W; Edgecock, T R; Haywood, S; Maley, P; Norton, P R; Thompson, J C; Wright, A E; Bloch-Devaux, B; Colas, P; Emery, S; Kozanecki, Witold; Lançon, E; Lemaire, M C; Locci, E; Marx, B; Pérez, P; Rander, J; Renardy, J F; Roussarie, A; Schuller, J P; Schwindling, J; Trabelsi, A; Vallage, B; Black, S N; Dann, J H; Johnson, R P; Kim, H Y; Litke, A M; McNeil, M A; Taylor, G; Booth, C N; Boswell, R; Brew, C A J; Cartwright, S L; Combley, F; Köksal, A; Letho, M; Newton, W M; Reeve, J; Thompson, L F; Böhrer, A; Brandt, S; Büscher, V; Cowan, G D; Grupen, Claus; Lutters, G; Minguet-Rodríguez, J A; Rivera, F; Saraiva, P; Smolik, L; Stephan, F; Aleppo, M; Apollonio, M; Bosisio, L; Della Marina, R; Giannini, G; Gobbo, B; Musolino, G; Ragusa, F; Rothberg, J E; Wasserbaech, S R; Armstrong, S R; Bellantoni, L; Elmer, P; Feng, Z; Ferguson, D P S; Gao, Y S; González, S; Grahl, J; Greening, T C; Harton, J L; Hayes, O J; Hu, H; McNamara, P A; Nachtman, J M; Orejudos, W; Pan, Y B; Saadi, Y; Schmitt, M; Scott, I J; Sharma, V; Turk, J; Walsh, A M; Wu Sau Lan; Wu, X; Yamartino, J M; Zheng, M; Zobernig, G

1996-01-01

The electroweak mixing angle is determined with high precision from measurements of the mean difference between forward and backward hemisphere charges in hadronic decays of the Z. A data sample of 2.5 million hadronic Z decays recorded over the period 1990 to 1994 in the ALEPH detector at LEP is used. The mean charge separation between event hemispheres containing the original quark and antiquark is measured for b-bbar and c-cbar events in subsamples selected by their long lifetimes or using fast D*'s. The corresponding average charge separation for light quarks is measured in an inclusive sample from the anticorrelation between charges of opposite hemispheres and agrees with predictions of hadronisation models with a precision of 2%. It is shown that differences between light quark charge separations and the measured average can be determined using hadronisation models, with systematic uncertainties constrained by measurements of inclusive production of kaons, protons and lambda's. The separations are used ...

Electronic response and longitudinal phonons of a charge-density-wave distorted linear chain

International Nuclear Information System (INIS)

Giuliani, G.

1978-01-01

The longitudinal-phonon spectrum of an incommensurate charge-density-wave distorted linear chain at T = 0 K are calculated. This is done by direct numerical evaluation of the full static-electronic-response matrix. The electronic band structure assumed for this purpose is that of a mean-field theory 1-D Peierls insulator. The present results show how, within this simplified, but self-consistent picture, the phase and amplitude modes connect to, and interact with, the ordinary longitudinal-phonon branch. Effects due to our inclusion of (0,2ksub(F)) scattering along with the usual (-2ksub(F), 2ksub(F)) are also pointed out. An alternative approximate expression for the 1-D electronic-response matrix is also given. (author)

Coordinate determination of high energy charged particles by silicon strip detectors

International Nuclear Information System (INIS)

Anokhin, I.E.; Zinets, O.S.

2002-01-01

The coordinate determination accuracy of minimum ionizing and short-range particles by silicon strip detectors has been considered. The charge collection on neighboring strips of the detector is studied and the influence of diffusion and the electric field distribution on the accuracy of the coordinate determination is analyzed. It has been shown that coordinates of both minimum ionizing and short-range particles can be determined with accuracy to a few microns using silicon strip detectors. 11 refs.; 8 figs

Stochastic approach and fluctuation theorem for charge transport in diodes

Science.gov (United States)

Gu, Jiayin; Gaspard, Pierre

2018-05-01

A stochastic approach for charge transport in diodes is developed in consistency with the laws of electricity, thermodynamics, and microreversibility. In this approach, the electron and hole densities are ruled by diffusion-reaction stochastic partial differential equations and the electric field generated by the charges is determined with the Poisson equation. These equations are discretized in space for the numerical simulations of the mean density profiles, the mean electric potential, and the current-voltage characteristics. Moreover, the full counting statistics of the carrier current and the measured total current including the contribution of the displacement current are investigated. On the basis of local detailed balance, the fluctuation theorem is shown to hold for both currents.

Electronic structure and partial charge distribution of Doxorubicin in different molecular environments.

Science.gov (United States)

Poudel, Lokendra; Wen, Amy M; French, Roger H; Parsegian, V Adrian; Podgornik, Rudolf; Steinmetz, Nicole F; Ching, Wai-Yim

2015-05-18

The electronic structure and partial charge of doxorubicin (DOX) in three different molecular environments-isolated, solvated, and intercalated in a DNA complex-are studied by first-principles density functional methods. It is shown that the addition of solvating water molecules to DOX, together with the proximity to and interaction with DNA, has a significant impact on the electronic structure as well as on the partial charge distribution. Significant improvement in estimating the DOX-DNA interaction energy is achieved. The results are further elucidated by resolving the total density of states and surface charge density into different functional groups. It is concluded that the presence of the solvent and the details of the interaction geometry matter greatly in determining the stability of DOX complexation. Ab initio calculations on realistic models are an important step toward a more accurate description of the long-range interactions in biomolecular systems. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.)

Exploring the validity and limitations of the Mott-Gurney law for charge-carrier mobility determination of semiconducting thin-films.

Science.gov (United States)

Röhr, Jason A; Moia, Davide; Haque, Saif A; Kirchartz, Thomas; Nelson, Jenny

2018-03-14

Using drift-diffusion simulations, we investigate the voltage dependence of the dark current in single carrier devices typically used to determine charge-carrier mobilities. For both low and high voltages, the current increases linearly with the applied voltage. Whereas the linear current at low voltages is mainly due to space charge in the middle of the device, the linear current at high voltage is caused by charge-carrier saturation due to a high degree of injection. As a consequence, the current density at these voltages does not follow the classical square law derived by Mott and Gurney, and we show that for trap-free devices, only for intermediate voltages, a space-charge-limited drift current can be observed with a slope that approaches a value of two. We show that, depending on the thickness of the semiconductor layer and the size of the injection barriers, the two linear current-voltage regimes can dominate the whole voltage range, and the intermediate Mott-Gurney regime can shrink or disappear. In this case, which will especially occur for thicknesses and injection barriers typical of single-carrier devices used to probe organic semiconductors, a meaningful analysis using the Mott-Gurney law will become unachievable, because a square-law fit can no longer be achieved, resulting in the mobility being substantially underestimated. General criteria for when to expect deviations from the Mott-Gurney law when used for analysis of intrinsic semiconductors are discussed.

Exploring the validity and limitations of the Mott-Gurney law for charge-carrier mobility determination of semiconducting thin-films

Science.gov (United States)

Röhr, Jason A.; Moia, Davide; Haque, Saif A.; Kirchartz, Thomas; Nelson, Jenny

2018-03-01

Using drift-diffusion simulations, we investigate the voltage dependence of the dark current in single carrier devices typically used to determine charge-carrier mobilities. For both low and high voltages, the current increases linearly with the applied voltage. Whereas the linear current at low voltages is mainly due to space charge in the middle of the device, the linear current at high voltage is caused by charge-carrier saturation due to a high degree of injection. As a consequence, the current density at these voltages does not follow the classical square law derived by Mott and Gurney, and we show that for trap-free devices, only for intermediate voltages, a space-charge-limited drift current can be observed with a slope that approaches a value of two. We show that, depending on the thickness of the semiconductor layer and the size of the injection barriers, the two linear current-voltage regimes can dominate the whole voltage range, and the intermediate Mott-Gurney regime can shrink or disappear. In this case, which will especially occur for thicknesses and injection barriers typical of single-carrier devices used to probe organic semiconductors, a meaningful analysis using the Mott-Gurney law will become unachievable, because a square-law fit can no longer be achieved, resulting in the mobility being substantially underestimated. General criteria for when to expect deviations from the Mott-Gurney law when used for analysis of intrinsic semiconductors are discussed.

Elimination of Spurious Fractional Charges in Dissociating Molecules by Correcting the Shape of Approximate Kohn-Sham Potentials.

Science.gov (United States)

Komsa, Darya N; Staroverov, Viktor N

2016-11-08

Standard density-functional approximations often incorrectly predict that heteronuclear diatomic molecules dissociate into fractionally charged atoms. We demonstrate that these spurious charges can be eliminated by adapting the shape-correction method for Kohn-Sham potentials that was originally introduced to improve Rydberg excitation energies [ Phys. Rev. Lett. 2012 , 108 , 253005 ]. Specifically, we show that if a suitably determined fraction of electron charge is added to or removed from a frontier Kohn-Sham orbital level, the approximate Kohn-Sham potential of a stretched molecule self-corrects by developing a semblance of step structure; if this potential is used to obtain the electron density of the neutral molecule, charge delocalization is blocked and spurious fractional charges disappear beyond a certain internuclear distance.

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.

Charge-density matching in organic-inorganic uranyl compounds

International Nuclear Information System (INIS)

Krivovichev, S.V.; Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F.

2007-01-01

Single crystals of [C 10 H 26 N 2 ][(UO 2 )(SeO 4 ) 2 (H 2 O)](H 2 SeO 4 ) 0.85 (H 2 O) 2 (1), [C 10 H 26 N 2 ][(UO 2 )(SeO 4 ) 2 ] (H 2 SeO 4 ) 0.50 (H 2 O) (2), and [C 8 H 20 N] 2 [(UO 2 )(SeO 4 ) 2 (H 2 O)] (H 2 O) (3) were prepared by evaporation from aqueous solution of uranyl nitrate, selenic acid and the respective amines. The structures of the compounds have been solved by direct methods and structural models have been obtained. The structures of the compounds 1, 2, and 3 contain U and Se atoms in pentagonal bipyramidal and tetrahedral coordinations, respectively. The UO 7 and SeO 4 polyhedra polymerize by sharing common O atoms to form chains (compound 1) or sheets (compounds 2 and 3). In the structure of 1, the layers consisting of hydrogen-bonded [UO 2 (SeO 4 ) 2 (H 2 O)] 2- chains are separated by mixed organic-inorganic layers comprising from [NH 3 (CH 2 ) 10 NH 3 ] 2+ molecules, H 2 O molecules, and disordered electroneutral (H 2 SeO 4 ) groups. The structure of 2 has a similar architecture but a purely inorganic layer is represented by a fully connected [UO 2 (SeO 4 ) 2 ] 2- sheet. The structure of 3 does not contain disordered (H 2 SeO 4 ) groups but is based upon alternating [UO 2 (SeO 4 ) 2 (H 2 O)] 2- sheets and 1.5-nm-thick organic blocks consisting of positively charged protonated octylamine molecules, [NH 3 (CH 2 ) 7 CH 3 ] + . The structures may be considered as composed of anionic inorganic sheets (2D blocks) and cationic organic blocks self-organized according to competing hydrophilic-hydrophobic interactions. Analysis of the structures allows us to conclude that the charge-density matching principle is observed in uranyl compounds. In order to satisfy some basic peculiarities of uranyl (in general, actinyl) chemistry, it requires specific additional mechanisms: (a) in long-chain-amine-templated compounds, protonated amine molecules inter-digitate; (b) in long-chain-diamine-templated compounds, incorporation of acid-water interlayers into

Magnetoresistance based determination of basic parameters of minority charge carriers in solid matter

Directory of Open Access Journals (Sweden)

Y.O. Uhryn

2017-12-01

Full Text Available Magnetoresistance as a tool of basic parameters determination of minority charge carriers and the ratio of minority charge carriers conductivity to majority ones in solid matter has been considered within the framework of the phenomenological two-band model. The criterion of the application of this model has been found. As examples of these equations usage the conductor, semiconductor and superconductor have been introduced. From the obtained temperature dependences of the aforementioned values in superconductor, a supposition of a deciding role of minority charge carriers in the emergence of superconductivity state has been made.

Time-resolved determination of the potential of zero charge at polycrystalline Au/ionic liquid interfaces

Science.gov (United States)

Vargas-Barbosa, Nella M.; Roling, Bernhard

2018-05-01

The potential of zero charge (PZC) is a fundamental property that describes the electrode/electrolyte interface. The determination of the PZC at electrode/ionic liquid interfaces has been challenging due to the lack of models that fully describe these complex interfaces as well as the non-standardized approaches used to characterize them. In this work, we present a method that combines electrode immersion transient and impedance measurements for the determination of the PZC. This combined approach allows the distinction of the potential of zero free charge (pzfc), related to fast double layer charging on a millisecond timescale, from a potential of zero charge on a timescale of tens of seconds related to slower ion transport processes at the interface. Our method highlights the complementarity of these electrochemical techniques and the importance of selecting the correct timescale to execute experiments and interpret the results.

Repulsion between oppositely charged planar macroions.

Directory of Open Access Journals (Sweden)

YongSeok Jho

Full Text Available The repulsive interaction between oppositely charged macroions is investigated using Grand Canonical Monte Carlo simulations of an unrestricted primitive model, including the effect of inhomogeneous surface charge and its density, the depth of surface charge, the cation size, and the dielectric permittivity of solvent and macroions, and their contrast. The origin of the repulsion is a combination of osmotic pressure and ionic screening resulting from excess salt between the macroions. The excess charge over-reduces the electrostatic attraction between macroions and raises the entropic repulsion. The magnitude of the repulsion increases when the dielectric constant of the solvent is lowered (below that of water and/or the surface charge density is increased, in good agreement with experiment. Smaller size of surface charge and the cation, their discreteness and mobility are other factors that enhance the repulsion and charge inversion phenomenons.

Correlations in charged bosons systems

International Nuclear Information System (INIS)

Almeida Caparica, A. de.

1985-02-01

The two and three-dimensional charge Bose gas have been studied. In the bidimensional case two different types of interaction were considered: l/r and l n(r). The method of self-consistent-field was applied to these systems, which takes into account the short range correlations between the bosons through a local-field correction. By using self-consistent numerical calculations, the structure factor S(k → ) was determined. The pair-correlation function, the ground-state energy, the pressure of the gas and the spectrum of elementary excitations were obtained from S (k → ). The screening density induced by a fixed charged impurity was calculated. In the high-density limit our calculations reproduce the results given by Bogoliubov's perturbation theory. In the intermediate-density region, corresponding to the strongly coupled systems, the results are in very good agreement with calculations based on HNC approximation as well as Monte Carlo method. The results are compared in several situations with RPA results showing that the self-consistent method is much more accurate. The two-dimensional systems showed to be more correlated than the three-dimensional systems showed to be more correlated than the three-dimensional one; the gas with interaction l/r is also more correlated than the logarithmic one at high densities, but it begins to be less correlated than this one in the low-density region. The thermodynamic functions of the two and three-dimensional systems at finite temperatures near absolute zero are calculated based upon the gas excitation spectra at zero temperature. (author)

X-ray Spectroscopic Characterization of Plasma for a Charged-Particle Energy-Loss Experiment

Science.gov (United States)

Hoffman, Nm; Lee, Cl; Wilson, Dc; Barnes, Cris W.; Petrasso, Rd; Li, C.; Hicks, D.

2000-10-01

We are pursuing an approach to a charged-particle energy-loss experiment in which charged fusion products from an imploded ICF capsule travel through a well characterized, spatially separate plasma. For this purpose, a fully ionized, uniform, nearly steady-state carbon-hydrogen plasma will be created by laser irradiation of a plastic foil. The temperature and density structure of this plasma must be determined accurately in order to relate observed energy losses to predictions of theory. Various methods for diagnosing the plasma are possible, including Thomson scattering. Alternatively, if a small admixture of higher-Z material such as chlorine is included in the plastic, x-ray spectroscopic techniques will allow the plasma's temperature and density to be determined. Electron temperature is inferred from the ratios of line strengths of various chlorine ion stages, while electron density is determined from the spectra of lithium-like satellite lines near the He beta line of helium-like chlorine. We present results from detailed-configuration accounting (DCA) models of line emission from C+H+Cl plasmas, and estimate the accuracy with which such plasmas can be characterized.

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.

Determination of Hydrogen Density by Swift Heavy Ions.

Science.gov (United States)

Xu, Ge; Barriga-Carrasco, M D; Blazevic, A; Borovkov, B; Casas, D; Cistakov, K; Gavrilin, R; Iberler, M; Jacoby, J; Loisch, G; Morales, R; Mäder, R; Qin, S-X; Rienecker, T; Rosmej, O; Savin, S; Schönlein, A; Weyrich, K; Wiechula, J; Wieser, J; Xiao, G Q; Zhao, Y T

2017-11-17

A novel method to determine the total hydrogen density and, accordingly, a precise plasma temperature in a lowly ionized hydrogen plasma is described. The key to the method is to analyze the energy loss of swift heavy ions interacting with the respective bound and free electrons of the plasma. A slowly developing and lowly ionized hydrogen theta-pinch plasma is prepared. A Boltzmann plot of the hydrogen Balmer series and the Stark broadening of the H_{β} line preliminarily defines the plasma with a free electron density of (1.9±0.1)×10^{16}  cm^{-3} and a free electron temperature of 0.8-1.3 eV. The temperature uncertainty results in a wide hydrogen density, ranging from 2.3×10^{16} to 7.8×10^{18}  cm^{-3}. A 108 MHz pulsed beam of ^{48}Ca^{10+} with a velocity of 3.652  MeV/u is used as a probe to measure the total energy loss of the beam ions. Subtracting the calculated energy loss due to free electrons, the energy loss due to bound electrons is obtained, which linearly depends on the bound electron density. The total hydrogen density is thus determined as (1.9±0.7)×10^{17}  cm^{-3}, and the free electron temperature can be precisely derived as 1.01±0.04  eV. This method should prove useful in many studies, e.g., inertial confinement fusion or warm dense matter.

Charge states of ions, and mechanisms of charge ordering transitions

Science.gov (United States)

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

2014-07-01

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

Excited state populations and charge-exchange of fast ions in solids

International Nuclear Information System (INIS)

Miller, P.D.; Sofield, C.J.; Woods, C.J.

1984-01-01

Excited state populations and charge state fractions of 445 MeV Cl ions have been measured for a range of thicknesses of solid C targets. Cross sections for electron capture, loss, excitation and excited state quenching have been determined and these data are found to predict a quantitative difference between equilibrium charge state distributions from gases and solids for a special case of the Bohr-Lindhard density effect model. 8 references, 1 figure, 1 table

Traffic density determination and its applications using smartphone

Directory of Open Access Journals (Sweden)

Al-Sayed Ahmed Al-Sobky

2016-03-01

Full Text Available Smartphone is progressively becoming a dominant platform for many transportation applications. This paper introduces a new application for using smartphones to measure traffic density and speed. The proposed system consists of two smartphones and two cars, with observer to count vehicles between the two cars. This count is utilized with tracking data to give “measured” density and “measured” speed. The travel speed and manual traffic counts were used to derive “calculated” density. Measured density was validated against calculated one, and statistical t-test confirmed that the mean difference between two densities is not significant at 5% level. Calculated flow rates were also comparable to actual counts, with an average error of 8.2%. The proposed system was then applied to measure density on 6 of October Elevated Road in Egypt, and the level of service was determined accordingly on 15 road sections studied on this road. Furthermore, actual speed-density data were fitted using exponential model with R2 of 0.85. Advantages of proposed system qualify it for potential applications in developing countries where available resources limit installation of more costly systems. The application of proposed system is limited to daytime, uninterrupted flow conditions, and traffic streams with less percentage of heavy vehicles.

Ab initio computation of the transition temperature of the charge density wave transition in TiS e2

Science.gov (United States)

Duong, Dinh Loc; Burghard, Marko; Schön, J. Christian

2015-12-01

We present a density functional perturbation theory approach to estimate the transition temperature of the charge density wave transition of TiS e2 . The softening of the phonon mode at the L point where in TiS e2 a giant Kohn anomaly occurs, and the energy difference between the normal and distorted phase are analyzed. Both features are studied as functions of the electronic temperature, which corresponds to the Fermi-Dirac distribution smearing value in the calculation. The transition temperature is found to be 500 and 600 K by phonon and energy analysis, respectively, in reasonable agreement with the experimental value of 200 K.

Interior structure of rotating black holes. III. Charged black holes

International Nuclear Information System (INIS)

Hamilton, Andrew J. S.

2011-01-01

This paper extends to the case of charged rotating black holes the conformally stationary, axisymmetric, conformally separable solutions presented for uncharged rotating black holes in a companion paper. In the present paper, the collisionless fluid accreted by the black hole may be charged. The charge of the black hole is determined self-consistently by the charge accretion rate. As in the uncharged case, hyper-relativistic counterstreaming between ingoing and outgoing streams drives inflation at (just above) the inner horizon, followed by collapse. If both ingoing and outgoing streams are charged, then conformal separability holds during early inflation, but fails as inflation develops. If conformal separability is imposed throughout inflation and collapse, then only one of the ingoing and outgoing streams can be charged: the other must be neutral. Conformal separability prescribes a hierarchy of boundary conditions on the ingoing and outgoing streams incident on the inner horizon. The dominant radial boundary conditions require that the incident ingoing and outgoing number densities be uniform with latitude, but the charge per particle must vary with latitude such that the incident charge densities vary in proportion to the radial electric field. The subdominant angular boundary conditions require specific forms of the incident number- and charge-weighted angular motions. If the streams fall freely from outside the horizon, then the prescribed angular conditions can be achieved by the charged stream, but not by the neutral stream. Thus, as in the case of an uncharged black hole, the neutral stream must be considered to be delivered ad hoc to just above the inner horizon.

Effects of Discrete Charge Clustering in Simulations of Charged Interfaces.

Science.gov (United States)

Grime, John M A; Khan, Malek O

2010-10-12

A system of counterions between charged surfaces is investigated, with the surfaces represented by uniform charged planes and three different arrangements of discrete surface charges - an equispaced grid and two different clustered arrangements. The behaviors of a series of systems with identical net surface charge density are examined, with particular emphasis placed on the long ranged corrections via the method of "charged slabs" and the effects of the simulation cell size. Marked differences are observed in counterion distributions and the osmotic pressure dependent on the particular representation of the charged surfaces; the uniformly charged surfaces and equispaced grids of discrete charge behave in a broadly similar manner, but the clustered systems display a pronounced decrease in osmotic pressure as the simulation size is increased. The influence of the long ranged correction is shown to be minimal for all but the very smallest of system sizes.

Second harmonic generation study of malachite green adsorption at the interface between air and an electrolyte solution: observing the effect of excess electrical charge density at the interface.

Science.gov (United States)

Song, Jinsuk; Kim, Mahn Won

2010-03-11

Understanding the differential adsorption of ions at the interface of an electrolyte solution is very important because it is closely related, not only to the fundamental aspects of biological systems, but also to many industrial applications. We have measured the excess interfacial negative charge density at air-electrolyte solution interfaces by using resonant second harmonic generation of oppositely charged probe molecules. The excess charge density increased with the square root of the bulk electrolyte concentration. A new adsorption model that includes the electrostatic interaction between adsorbed molecules is proposed to explain the measured adsorption isotherm, and it is in good agreement with the experimental results.

Synthetic peptides derived from salivary proteins and the control of surface charge densities of dental surfaces improve the inhibition of dental calculus formation.

Science.gov (United States)

Grohe, Bernd

2017-08-01

Peptides descended from the salivary proteins statherin and histatin were recently identified in saliva and the acquired enamel pellicle (AEP), a proteomic layer coated on enamel. In particular, the statherin phosphopeptide DpSpSEEKFLR (DSS) was found to adsorb to enamel-like hydroxyapatite and inhibit plaque-related crystal formation. To determine the mechanism of these processes, we studied peptide-crystal interactions based on the sequences DSS and RKFHEKHHSHRGYR (RKF). The latter is a basic histatin sequence showing antimicrobial effects. To initiate crystallization we used calcium oxalate monohydrate (COM), a rather secondary phase in the oral environment, however highly amenable to experimental analyses of nucleation and growth processes. Using electron microscopy we found that the peptides DSS, DSS-RKF and DSS-DSS all inhibit crystal formation; with DSS-DSS showing the strongest effects while RKF showed no effect. In addition, using either enamel-like or mica substrates, we found that the ratio of the substrate's surface charge densities was directly correlated with the ratio of COM nucleation rates on theses surfaces. The findings suggest that mineralization processes on enamel/AEP-films are controllable by the degree of peptide phosphorylation/acidity and the level of the enamel surface charge density. Both parameters can, when well adjusted, help to overcome periodontal disease and dental calculus formation. In addition, the presence of antimicrobial RKF will reduce the buildup of bacterial plaque. Copyright © 2017 Elsevier B.V. All rights reserved.

A novel track density measurement method by thermal neutron activation of DYECETs

International Nuclear Information System (INIS)

Sohrabi, M.; Mahdi, Sh.

1995-01-01

A novel track density evaluation method based on thermal neutron activation of some elements of dyed electrochemically etched tracks (DYECETs) of charged particles in detectors like polycarbonate (PC) followed by measurements of gamma activity of the activated detectors is introduced. In this method, the tracks of charged particles like fast neutron-induced recoils in PC detectors were electrochemically etched, dyed by ''QuicDYECET'' methods as recently introduced by us, activated by thermal neutrons and counted for gamma activity determination to be correlated with track density. The activities of elements such as bromine-82 ( 82 Br) and sodium-24 ( 24 Na) on dyes such as Eosin Yellowish, Eosin Bluish, etc. determined by a hyper-pure germanium detector, were found to be in good correlation with DYECET density and thus particle fluence or dose. The effects of different types of dyes and their elements, dye concentration, neutron fluences and ECE durations on the DYECET density responses were studied. This new development is a method of scientific interest, potentially possessing some interesting features, as an alternative method for ECE track density determination using a gamma activity measuring system. It also has the drawback of being applicable only in centres having thermal neutron facilities. The results of the above studies are presented and discussed. (Author)

Colloid Titration--A Rapid Method for the Determination of Charged Colloid.

Science.gov (United States)

Ueno, Keihei; Kina, Ken'yu

1985-01-01

"Colloid titration" is a volumetric method for determining charged polyelectrolytes in aqueous solutions. The principle of colloid titration, reagents used in the procedure, methods of endpoint detection, preparation of reagent solutions, general procedure used, results obtained, and pH profile of colloid titration are considered. (JN)

Spin-Charge Separation in Finite Length Metallic Carbon Nanotubes

KAUST Repository

Zhang, Yongyou

2017-10-17

Using time-dependent density functional theory, we study the optical excitations in finite length carbon nanotubes. Evidence of spin-charge separation is given in the spacetime domain. We demonstrate that the charge density wave is due to collective excitations of electron singlets, while the accompanying spin density wave is due to those of electron triplets. The Tomonaga–Luttinger liquid parameter and density–density interaction are extrapolated from the first-principles excitation energies. We show that the density–density interaction increases with the length of the nanotube. The singlet and triplet excitation energies, on the other hand, decrease for increasing length of the nanotube. Their ratio is used to establish a first-principles approach for deriving the Tomonaga–Luttinger parameter (in excellent agreement with experimental data). Time evolution analysis of the charge and spin line densities evidences that the charge and spin density waves are elementary excitations of metallic carbon nanotubes. Their dynamics show no dependence on each other.

Counterion release from a discretely charged surface in an electrolyte: Monte Carlo simulation study

International Nuclear Information System (INIS)

Hernández-Contreras, M

2015-01-01

Monte Carlo simulations allowed us to determine the amount of released electric charges from a discretely charged surface in 1:1 aqueous electrolyte solution as a function of surface charge density. Within the restricted primitive model and for a fixed concentration of 0.1 M bulk electrolyte in solution, there is an increase in the number of released counterions per unit surface area as the strength of the surface charge is enhanced. A similar behaviour of the number of released counterions was also found through the use of mean field and liquid theory methods

Determination of sin2 θ {w/eff} using jet charge measurements in hadronic Z decays

Science.gov (United States)

Buskulic, D.; de Bonis, I.; Decamp, D.; Ghez, P.; Goy, C.; Lees, J. P.; Lucotte, A.; Minard, M. N.; Odier, P.; Pietrzyk, B.; Chmeissani, M.; Crespo, J. M.; Delfino, M.; Efthymiopoulos, I.; Fernandez, E.; Fernandez-Bosman, M.; Garrido, Ll.; Juste, A.; Martinez, M.; Orteu, S.; Pacheco, A.; Padilla, C.; Pascual, A.; Perlas, J. A.; Riu, I.; Sanchez, F.; Teubert, F.; Colaleo, A.; Creanza, D.; de Palma, M.; Gelao, G.; Girone, M.; Iaselli, G.; Maggi, G.; Maggi, M.; Marinelli, N.; Nuzzo, S.; Ranieri, A.; Raso, G.; Ruggieri, F.; Selvaggi, G.; Silvestris, L.; Tempesta, P.; Zito, G.; Huang, X.; Lin, J.; Ouyang, Q.; Wang, T.; Xie, Y.; Xu, R.; Xue, S.; Zhang, J.; Zhang, L.; Zhao, W.; Alemany, R.; Bazarko, A. O.; Bonvicini, G.; Cattaneo, M.; Comas, P.; Coyle, P.; Drevermann, H.; Forty, R. W.; Frank, M.; Hagelberg, R.; Harvey, J.; Janot, P.; Jost, B.; Kneringer, E.; Knobloch, J.; Lehraus, I.; Martin, E. B.; Mato, P.; Minten, A.; Miquel, R.; Mir, Ll. M.; Moneta, L.; Oest, T.; Palla, F.; Pater, J. R.; Pusztaszeri, J. F.; Ranjard, F.; Rensing, P.; Rolandi, L.; Schlatter, D.; Schmelling, M.; Schneider, O.; Tejessy, W.; Tomalin, I. R.; Venturi, A.; Wachsmuth, H.; Wagner, A.; Wildish, T.; Ajaltouni, Z.; Barrès, A.; Boyer, C.; Falvard, A.; Gay, P.; Guicheney, C.; Henrard, P.; Jousset, J.; Michel, B.; Monteil, S.; Montret, J.-C.; Pallin, D.; Perret, P.; Podlyski, F.; Proriol, J.; Rossignol, J. M.; Fearnley, T.; Hansen, J. B.; Hansen, J. D.; Hansen, J. R.; Hansen, P. H.; Nilsson, B. S.; Wäänänen, A.; Kyriakis, A.; Markou, C.; Simopoulou, E.; Siotis, I.; Vayaki, A.; Zachariadou, K.; Blondel, A.; Bonneaud, G.; Brient, J. C.; Bourdon, P.; Rougé, A.; Rumpf, M.; Valassi, A.; Verderi, M.; Videau, H.; Candlin, D. J.; Parsons, M. I.; Focardi, E.; Parrini, G.; Corden, M.; Georgiopoulos, C.; Jaffe, D. E.; Antonelli, A.; Bencivenni, G.; Bologna, G.; Bossi, F.; Campana, P.; Capon, G.; Casper, D.; Chiarella, V.; Felici, G.; Laurelli, P.; Mannocchi, G.; Murtas, F.; Murtas, G. P.; Passalacqua, L.; Pepe-Altarelli, M.; Curtis, L.; Dorris, S. J.; Halley, A. W.; Knowles, I. G.; Lynch, J. G.; O'Shea, V.; Raine, C.; Reeves, P.; Scarr, J. M.; Smith, K.; Ten Have, I.; Thompson, A. S.; Thomson, F.; Thorn, S.; Turnbull, R. M.; Becker, U.; Geweniger, C.; Graefe, G.; Hanke, P.; Hansper, G.; Hepp, V.; Kluge, E. E.; Putzer, A.; Rensch, B.; Schmidt, M.; Sommer, J.; Stenzel, H.; Tittel, K.; Werner, S.; Wunsch, M.; Abbaneo, D.; Beuselinck, R.; Binnie, D. M.; Cameron, W.; Dornan, P. J.; Moutoussi, A.; Nash, J.; Sedgbeer, J. K.; Stacey, A. M.; Williams, M. D.; Dissertori, G.; Girtler, P.; Kuhn, D.; Rudolph, G.; Bowdery, C. K.; Colrain, P.; Crawford, G.; Finch, A. J.; Foster, F.; Hughes, G.; Sloan, T.; Whelan, E. P.; Williams, M. I.; Galla, A.; Greene, A. M.; Kleinknecht, K.; Quast, G.; Renk, B.; Rohne, E.; Sander, H. G.; van Gemmeren, P.; Zeitnitz, C.; Aubert, J. J.; Bencheikh, A. M.; Benchouk, C.; Bonissent, A.; Bujosa, G.; Calvet, D.; Carr, J.; Diaconu, C.; Etienne, F.; Konstantinidis, N.; Payre, P.; Rousseau, D.; Talby, M.; Sadouki, A.; Thulasidas, M.; Trabelsi, K.; Abt, I.; Assmann, R.; Bauer, C.; Blum, W.; Dietl, H.; Dydak, F.; Ganis, G.; Gotzhein, C.; Jakobs, K.; Kroha, H.; Lütjens, G.; Lutz, G.; Männer, W.; Moser, H. G.; Richter, R.; Rosado-Schlosser, A.; Schael, S.; Settles, R.; Seywerd, H.; St. Denis, R.; Wiedenmann, W.; Wolf, G.; Boucrot, J.; Callot, O.; Cordier, A.; Davier, M.; Duflot, L.; Grivaz, J. F.; Heusse, Ph.; Jacquet, M.; Kim, D. W.; Le Diberder, F.; Lefrançois, J.; Lutz, A. M.; Nikolic, I.; Park, H. J.; Park, I. C.; Schune, M. H.; Simion, S.; Veillet, J. J.; Videau, I.; Azzurri, P.; Bagliesi, G.; Batignani, G.; Bettarini, S.; Bozzi, C.; Calderini, G.; Carpinelli, M.; Ciocci, M. A.; Ciulli, V.; Dell'Orso, R.; Fantechi, R.; Ferrante, I.; Foà, L.; Forti, F.; Giassi, A.; Giorgi, M. A.; Gregorio, A.; Ligabue, F.; Lusiani, A.; Marrocchesi, P. S.; Messineo, A.; Rizzo, G.; Sanguinetti, G.; Sciabà, A.; Spagnolo, P.; Steinberger, J.; Tenchini, R.; Tonelli, G.; Vannini, C.; Verdini, P. G.; Walsh, J.; Betteridge, A. P.; Blair, G. A.; Bryant, L. M.; Cerutti, F.; Chambers, J. T.; Gao, Y.; Green, M. G.; Medcalf, T.; Perrodo, P.; Strong, J. A.; von Wimmersperg-Toeller, J. H.; Botterill, D. R.; Clifft, R. W.; Edgecock, T. R.; Haywood, S.; Maley, P.; Norton, P. R.; Thompson, J. C.; Wright, A. E.; Bloch-Devaux, B.; Colas, P.; Emery, S.; Kozanecki, W.; Lançon, E.; Lemaire, M. C.; Locci, E.; Marx, B.; Perez, P.; Rander, J.; Renardy, J. F.; Roussarie, A.; Schuller, J. P.; Schwindling, J.; Trabelsi, A.; Vallage, B.; Black, S. N.; Dann, J. H.; Johnson, R. P.; Kim, H. Y.; Litke, A. M.; McNeil, M. A.; Taylor, G.; Booth, C. N.; Boswell, R.; Brew, C. A. J.; Cartwright, S.; Combley, F.; Koksal, A.; Letho, M.; Newton, W. M.; Reeve, J.; Thompson, L. F.; Böhrer, A.; Brandt, S.; Büscher, V.; Cowan, G.; Grupen, C.; Lutters, G.; Minguet-Rodriguez, J.; Rivera, F.; Saraiva, P.; Smolik, L.; Stephan, F.; Aleppo, M.; Apollonio, M.; Bosisio, L.; Della Marina, R.; Giannini, G.; Gobbo, B.; Musolino, G.; Ragusa, F.; Rothberg, J.; Wasserbaech, S.; Armstrong, S. R.; Bellantoni, L.; Elmer, P.; Feng, Z.; Ferguson, D. P. S.; Gao, Y. S.; González, S.; Grahl, J.; Greening, T. C.; Harton, J. L.; Hayes, O. J.; Hu, H.; McNamara, P. A.; Nachtman, J. M.; Orejudos, W.; Pan, Y. B.; Saadi, Y.; Schmitt, M.; Scott, I. J.; Sharma, V.; Turk, J. D.; Walsh, A. M.; Wu, Sau Lan; Wu, X.; Yamartino, J. M.; Zheng, M.; Zobernig, G.

1996-03-01

The electroweak mixing angle is determined with high precision from measurements of the mean difference between forward and backward hemisphere charges in hadronic decays of the Z. A data sample of 2.5 million hadronic Z decays recorded over the period 1990 to 1994 in the ALEPH detector at LEP is used. The mean charge separation between event hemispheres containing the original quark and antiquark is measured forbbar b andcbar c events in subsamples selected by their long lifetimes or using fast D*’s. The corresponding average charge separation for light quarks is measured in an inclusive sample from the anticorrelation between charges of opposite hemispheres and agrees with predictions of hadronisation models with a precision of 2%. It is shown that differences between light quark charge separations and the measured average can be determined using hadronisation models, with systematic uncertainties constrained by measurements of inclusive production of kaons, protons and Λ’s. The separations are used to measure the electroweak mixing angle precisely as sin2 ϑ {w/eff}=0.2322±0.0008(exp.stat.) ±0.0007(exp.syst.)±0.0008(sep.). The first two errors are due to purely experimental sources whereas the third stems from uncertainties in the quark charge separations.

Kalman-variant estimators for state of charge in lithium-sulfur batteries

DEFF Research Database (Denmark)

Propp, Karsten; Auger, Daniel J.; Fotouhi, Abbas

2017-01-01

Lithium-sulfur batteries are now commercially available, offering high specific energy density, low production costs and high safety. However, there is no commercially-available battery management system for them, and there are no published methods for determining state of charge in situ...

Amplitude modulation of charge-density-wave domains in 1T-TaS2 at 300 K

International Nuclear Information System (INIS)

Coleman, R.V.; McNairy, W.W.; Slough, C.G.

1991-01-01

Measurements of the charge-density-wave (CDW) amplitude modulation in 1T-TaS 2 at room temperature have been made using a scanning tunneling microscope (STM) operating in the constant current mode. The amplitude profiles are in good agreement with the profile predicated by the CDW domain model of Nakanishi and Shiba. Interference effects between the atomic and CDW lattices have been analyzed and do not modify these profiles significantly. They represent the true CDW amplitude variation connected with the CDW domain structure

Total Ionizing Dose Effects on Threshold Switching in 1T-Tantalum Disulfide Charge-Density-Wave Devices

OpenAIRE

Liu, G.; Zhang, E. X.; Liang, C. D.; Bloodgood, M. A.; Salguero, T. T.; Fleetwood, D. M.; Balandin, A. A.

2017-01-01

The 1T polytype of TaS2 exhibits voltage-triggered threshold switching as a result of a phase transition from nearly commensurate to incommensurate charge density wave states. Threshold switching, persistent above room temperature, can be utilized in a variety of electronic devices, e.g., voltage controlled oscillators. We evaluated the total-ionizing-dose response of thin film 1T-TaS2 at doses up to 1 Mrad(SiO2). The threshold voltage changed by less than 2% after irradiation, with persisten...

Cathodic hydrogen charging of zinc

International Nuclear Information System (INIS)

Panagopoulos, C.N.; Georgiou, E.P.; Chaliampalias, D.

2014-01-01

Highlights: •Incorporation of hydrogen into zinc and formation of zinc hydrides. •Investigation of surface residual stresses due to hydrogen diffusion. •Effect of hydrogen diffusion and hydride formation on mechanical properties of Zn. •Hydrogen embrittlement phenomena in zinc. -- Abstract: The effect of cathodic hydrogen charging on the structural and mechanical characteristics of zinc was investigated. Hardening of the surface layers of zinc, due to hydrogen incorporation and possible formation of ZnH 2 , was observed. In addition, the residual stresses brought about by the incorporation of hydrogen atoms into the metallic matrix, were calculated by analyzing the obtained X-ray diffraction patterns. Tensile testing of the as-received and hydrogen charged specimens revealed that the ductility of zinc decreased significantly with increasing hydrogen charging time, for a constant value of charging current density, and with increasing charging current density, for a constant value of charging time. However, the ultimate tensile strength of this material was slightly affected by the hydrogen charging procedure. The cathodically charged zinc exhibited brittle transgranular fracture at the surface layers and ductile intergranular fracture at the deeper layers of the material

Escape of charged particles from a neutron star

International Nuclear Information System (INIS)

Pelizzari, M.A.

1976-01-01

The theory of particle trajectories in an axisymmetric magnetic field, formulated by C. Stormer, can be extended to cover conservative force fields as well. As such, it is an ideal tool to study the escape of charged particles from a rapidly rotating neutron star, enabling one to determine the maximum range of their trajectories in space. With the aid of this theory, it is shown that a neutron star, rotating in a vacuum with rotation and magnetic axes aligned, will not evolve a perfectly conducting magnetosphere if the neutron star is the only source of charge. The sign of charge accelerated from the equatorial regions will be magnetically trapped to a toroidal region very near the star, and the opposite sign of charge, emerging from the polar regions, will escape from the magnetosphere until a critical stellar charge is reached, after which polar charges will be electrostatically bound to the magnetosphere. This selective magnetic trapping of one sign of charge, which prevents the formation of a stellar wind, is a consequence of the magnetic field's orientation relative to the internal charge density of the neutron star

Communication: a density functional with accurate fractional-charge and fractional-spin behaviour for s-electrons.

Science.gov (United States)

Johnson, Erin R; Contreras-García, Julia

2011-08-28

We develop a new density-functional approach combining physical insight from chemical structure with treatment of multi-reference character by real-space modeling of the exchange-correlation hole. We are able to recover, for the first time, correct fractional-charge and fractional-spin behaviour for atoms of groups 1 and 2. Based on Becke's non-dynamical correlation functional [A. D. Becke, J. Chem. Phys. 119, 2972 (2003)] and explicitly accounting for core-valence separation and pairing effects, this method is able to accurately describe dissociation and strong correlation in s-shell many-electron systems. © 2011 American Institute of Physics

Direct measurement of sub-Debye-length attraction between oppositely charged surfaces.

Science.gov (United States)

Kampf, Nir; Ben-Yaakov, Dan; Andelman, David; Safran, S A; Klein, Jacob

2009-09-11

Using a surface force balance with fast video analysis, we have measured directly the attractive forces between oppositely charged solid surfaces (charge densities sigma(+), sigma(-)) across water over the entire range of interaction, in particular, at surface separations D below the Debye screening length lambda(S). At very low salt concentration we find a long-ranged attraction between the surfaces (onset ca. 100 nm), whose variation at Ddetermined surface charge asymmetry (sigma(+) not equal to |sigma(-)|).

Measurement of charge of heavy ions in emulsion using a CCD camera

CERN Document Server

Kudzia, D; Dabrowska, A; Deines-Jones, P; Holynski, R; Olszewski, A; Nilsen, B S; Sen-Gupta, K; Szarska, M; Trzupek, A; Waddington, C J; Wefel, J P; Wilczynska, B; Wilczynski, H; Wolter, W; Wosiek, B; Wozniak, K

1999-01-01

A system has been developed for semi-automated determination of the charges of heavy ions recorded in nuclear emulsions. The profiles of various heavy ion tracks in emulsion, both accelerator beam ions and fragments of heavy projectiles, were obtained with a CCD camera mounted on a microscope. The dependence of track profiles on illumination, emulsion grain size and density, background in emulsion, and track geometry was analyzed. Charges of the fragments of heavy projectiles were estimated independently by the delta ray counting method. A calibration of both width and height of track profiles against ion charges was made with ions of known charges ranging from helium to gold nuclei. (author)

High magnetic field studies of the charge density wave state of the quasi-two-dimensional conductor KMO 6O 17

Science.gov (United States)

Dumas, Jean; Guyot, Hervé; Balaska, Hafid; Marcus, Jacques; Vignolles, David; Sheikin, Ilya; Audouard, Alain; Brossard, Luc; Schlenker, Claire

2004-04-01

Magnetic torque and magnetoresistance measurements have been performed in high magnetic field on the quasi-two-dimensional charge density wave (CDW) oxide bronze KMo 6O 17 . Several anomalies have been found below 28 T either on the torque or on the magnetoresistance data. They can be attributed predominantly to orbital effects. Magnetoresistance data obtained up to 55 T show that a transition takes place above 30 T. This transition may be due to the Pauli coupling. The new field-induced density wave state exhibits Shubnikov-de Haas (SdH) oscillations.

High magnetic field studies of the charge density wave state of the quasi-two-dimensional conductor KMO6O17

International Nuclear Information System (INIS)

Dumas, Jean; Guyot, Herve; Balaska, Hafid; Marcus, Jacques; Vignolles, David; Sheikin, Ilya; Audouard, Alain; Brossard, Luc; Schlenker, Claire

2004-01-01

Magnetic torque and magnetoresistance measurements have been performed in high magnetic field on the quasi-two-dimensional charge density wave (CDW) oxide bronze KMo 6 O 17 . Several anomalies have been found below 28 T either on the torque or on the magnetoresistance data. They can be attributed predominantly to orbital effects. Magnetoresistance data obtained up to 55 T show that a transition takes place above 30 T. This transition may be due to the Pauli coupling. The new field-induced density wave state exhibits Shubnikov-de Haas (SdH) oscillations

A theoretical study on the effect of piezoelectric charges on the surface potential and surface depletion region of ZnO nanowires

International Nuclear Information System (INIS)

Purahmad, Mohsen; Stroscio, Michael A; Dutta, Mitra

2013-01-01

The electrostatic potential and depletion width in piezoelectric semiconductor nanowires are derived by considering a non-depleted region and a surface depleted region and solving the Poisson equation. By determining the piezoelectric-induced charge density, in terms of equivalent density of charges, the effect of piezoelectric charges on the surface depletion region and the distributed electric potential in nanowire have been investigated. The numerical results demonstrate that the ZnO NWs with a smaller radius have a larger surface depletion region which results in a stronger surface potential and depletion region perturbation by induced piezoelectric charges. (paper)

Energy gaps, valence and conduction charge densities and optical properties of GaAs1‑xPx

Science.gov (United States)

Al-Hagan, O. A.; Algarni, H.; Bouarissa, N.; Alhuwaymel, T. F.; Ajmal Khan, M.

2018-04-01

The electronic structure and its derived valence and conduction charge distributions along with the optical properties of zinc-blende GaAs1‑xPx ternary alloys have been studied. The calculations are performed using a pseudopotential approach under the virtual crystal approximation (VCA) which takes into account the compositional disorder effect. Our findings are found to be generally in good accord with experiment. The composition dependence of direct and indirect bandgaps showed a clear bandgap bowing. The nature of the gap is found to depend on phosphorous content. The bonding and ionicity of the material of interest have been examined in terms of the anti-symmetric gap and charge densities. The variation in the optical constants versus phosphorous concentration has been discussed. The present investigation may give a useful applications in infrared and visible spectrum light emitters.

Practical approach to determining charge collected in multi-junction structures due to the ion shunt effect

International Nuclear Information System (INIS)

Brown, A.O.; Bhuva, B.; Kerns, S.E.

1993-01-01

In order to design semiconductor devices so that they are resistant to single event upsets, a designer needs to know how much charge would be collected at various junctions in the semiconductor structure. For over a decade researchers have studied the physics of charge collection in semiconductor structures, focusing primarily on the charge collected between the p and n regions of a pn junction by drift and diffusion effects -- a process called funneling. However, when an energetic ion penetrates more than one pn junction, funneling is not the only charge collection mechanism. Simulations and experiments on multi-junction structures have shown dramatic change in the charge collected when an ion penetrates two pn junctions. This charge transport between two regions of like conductivity that are ''bridged'' together by the ion track is called the ion shunt effect -- an effect investigated and experimentally proven by Hauser, et al. and Knudson, et al. This paper will present the algorithms and results of a computer program used to determine the charge collected on silicon semiconductor transistors due to the ion shunt effect. The program is unique because it is quick and simple to use and because it uses a general algorithm to determine an accurate initial electron-hole pair distribution in the ion track

Limitations of threshold voltage engineering of AlGaN/GaN heterostructures by dielectric interface charge density and manipulation by oxygen plasma surface treatments

Science.gov (United States)

Lükens, G.; Yacoub, H.; Kalisch, H.; Vescan, A.

2016-05-01

The interface charge density between the gate dielectric and an AlGaN/GaN heterostructure has a significant impact on the absolute value and stability of the threshold voltage Vth of metal-insulator-semiconductor (MIS) heterostructure field effect transistor. It is shown that a dry-etching step (as typically necessary for normally off devices engineered by gate-recessing) before the Al2O3 gate dielectric deposition introduces a high positive interface charge density. Its origin is most likely donor-type trap states shifting Vth to large negative values, which is detrimental for normally off devices. We investigate the influence of oxygen plasma annealing techniques of the dry-etched AlGaN/GaN surface by capacitance-voltage measurements and demonstrate that the positive interface charge density can be effectively compensated. Furthermore, only a low Vth hysteresis is observable making this approach suitable for threshold voltage engineering. Analysis of the electrostatics in the investigated MIS structures reveals that the maximum Vth shift to positive voltages achievable is fundamentally limited by the onset of accumulation of holes at the dielectric/barrier interface. In the case of the Al2O3/Al0.26Ga0.74N/GaN material system, this maximum threshold voltage shift is limited to 2.3 V.

Charge density waves as the origin of dip-hump structures in the differential tunneling conductance of cuprates: The case of d-wave superconductivity

Energy Technology Data Exchange (ETDEWEB)

Gabovich, Alexander M., E-mail: gabovich@iop.kiev.ua; Voitenko, Alexander I., E-mail: voitenko@iop.kiev.ua

2014-08-15

Highlights: • d-Wave superconductivity and charge-density waves compete for the Fermi surface. • Charge-density waves induce pseudogaps and peak-dip-hump structures in cuprates. • Tunnel spectra are non-symmetric due to the dielectric order-parameter phase fixation. • Scatter of the dielectric order parameter smears the tunnel spectra peculiarities. - Abstract: Quasiparticle differential current–voltage characteristics (CVCs) G(V) of non-symmetric tunnel junctions between d-wave superconductors with charge-density waves (CDWs) and normal metals were calculated. The dependences G(V) were shown to have a V-like form at small voltages V and low temperatures, and to be asymmetric at larger V owing to the presence of CDW peak in either of the V-branches. The spatial scatter of the dielectric (CDW) order parameter smears the CDW peak into a hump and induces a peak-dip-hump structure (PDHS) typical of CVCs observed for such junctions. At temperatures larger than the superconducting critical one, the PDHS evolves into a pseudogap depression. The results agree well with the scanning tunneling microscopy data for Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+δ} and YBa{sub 2}Cu{sub 3}O{sub 7−δ}. The results differ substantially from those obtained earlier for CDW s-wave superconductors.

Simultaneous Determination of Electrochemical Impedance of Lithium-ion Rechargeable Batteries with Measurement of Charge-discharge Curves by Wavelet Transformation

International Nuclear Information System (INIS)

Itagaki, Masayuki; Ueno, Masaki; Hoshi, Yoshinao; Shitanda, Isao

2017-01-01

Highlights: • Wavelet transformation (WT) was used to obtain electrochemical impedance (EI) from time domain data. • Complex Morlet mother wavelet was employed to transform current and voltage time series from time domain to frequency domain. • An analytical method to determine EI of LIRB at arbitrary state of charge was proposed. • EI of LIRB was determined at arbitrary state of charge without stopping galvanostatic polarization for charge and discharge. - Abstract: A new analytical method was developed to determine the electrochemical impedance of lithium-ion rechargeable batteries (LIRB) at an arbitrary state of charge (SOC). Wavelet transformation (WT) is one of the waveform analysis methods, which allows the determination of frequency domain data as a function of time. The frequency domain data are obtained by convolution integral of a mother wavelet and original time domain data via the WT. A complex Morlet mother wavelet is used to obtain the complex number data in the frequency domain. The time series data of input current and output voltage signals are recorded by superimposing the double pulse current as an input signal to constant charge current for the charge of LIRB without stopping galvanostatic polarization. The double pulse current is composed of symmetrical positive and negative square waves. In this case, the SOC of LIRB is not affected by the input signal because the total amount of charge calculated from double pulse current is 0C. The impedance spectrum of LIRB at SOC 25% is determined in the frequency range from 0.1 to 100 Hz during charge/discharge cycles without stopping galvanostatic polarization for the charge/discharge.

Total-energy Assisted Tight-binding Method Based on Local Density Approximation of Density Functional Theory

Science.gov (United States)

Fujiwara, Takeo; Nishino, Shinya; Yamamoto, Susumu; Suzuki, Takashi; Ikeda, Minoru; Ohtani, Yasuaki

2018-06-01

A novel tight-binding method is developed, based on the extended Hückel approximation and charge self-consistency, with referring the band structure and the total energy of the local density approximation of the density functional theory. The parameters are so adjusted by computer that the result reproduces the band structure and the total energy, and the algorithm for determining parameters is established. The set of determined parameters is applicable to a variety of crystalline compounds and change of lattice constants, and, in other words, it is transferable. Examples are demonstrated for Si crystals of several crystalline structures varying lattice constants. Since the set of parameters is transferable, the present tight-binding method may be applicable also to molecular dynamics simulations of large-scale systems and long-time dynamical processes.

Ion association at discretely-charged dielectric interfaces: Giant charge inversion

Science.gov (United States)

Wang, Zhi-Yong; Wu, Jianzhong

2017-07-01

Giant charge reversal has been identified for the first time by Monte Carlo simulation for a discretely charged surface in contact with a trivalent electrolyte solution. It takes place regardless of the surface charge density under study and the monovalent salt. In stark contrast to earlier predictions based on the 2-dimensional Wigner crystal model to describe strong correlation of counterions at the macroion surface, we find that giant charge reversal reflects an intricate interplay of ionic volume effects, electrostatic correlations, surface charge heterogeneity, and the dielectric response of the confined fluids. While the novel phenomenon is yet to be confirmed with experiment, the simulation results appear in excellent agreement with a wide range of existing observations in the subregime of charge inversion. Our findings may have far-reaching implications to understanding complex electrochemical phenomena entailing ionic fluids under dielectric confinements.

Comparison of neutral density profiles measured using Dα and C5+ in NSTX-U

Science.gov (United States)

Bell, R. E.; Scotti, F.; Diallo, A.; Leblanc, B. P.; Podesta, M.; Sabbagh, S. A.

2017-10-01

Edge neutral density profiles determined from two different measurements are compared on NSTX-U plasmas. Neutral density measurements were not typical on NSTX plasmas. An array of fibers dedicated to the measurement of passive emission of C5+, used to subtract background emission for charge exchange recombination spectroscopy (CHERS), can be used to infer deuterium neutral density near the plasma edge. The line emission from C5+ is dominated by charge exchange with neutral deuterium near the plasma edge. An edge neutral density diagnostic consisting of a camera with a Dα filter was installed on NSTX-U. The line-integrated measurements from both diagnostics are inverted to obtain local emissivity profiles. Neutral density is then inferred using atomics rates from ADAS and profile measurements from Thomson scattering and CHERS. Comparing neutral density profiles from the two diagnostic measurements helps determine the utility of using the more routinely available C5+ measurements for neutral density profiles. Initial comparisons show good agreement between the two measurements inside the separatrix. Supported by US DoE Contracts DE-AC02-09CH11466 and DE-AC52-07NA27344.

Relations between focusing power of space-charge lenses and external electromagnetic fields

International Nuclear Information System (INIS)

Yu Qingchang; Qiu Hong; Huang Jiachang

1991-01-01

Under different external electromagnetic fields, the electron densities of the electron cloud in a self-sustaning spece-charge lens are measured with the radio-frequency method and the energy distributions of the ions produced in ionization are measured with the stopping field method. From them the relations between the focusing power of space-charge lenses and the external electromagnetic fields are determined. The available region of the Lebedev-Morozov formula is discussed

The effect of pressure on the charge-density wave and superconductivity in ZrTe sub 3

CERN Document Server

Yamaya, K; Yasuzuka, S; Okajima, Y; Tanda, S

2002-01-01

The charge-density-wave (CDW) transition temperature, T sub C sub D sub W , of ZrTe sub 3 is found to increase for pressures up to 0.6 GPa, while the superconducting transition temperature, T sub c , decreases with increasing pressure. According to a band calculation, it is found that the pressure-induced enhancement of the CDW and suppression of the superconductivity are not simply explained by the effect of nesting of the Fermi surface, suggesting the possibility of a new relation for the competition between the CDW and superconductivity.

Atomic origin of the scanning tunneling microscopy images of charge-density-waves on 1T-TaSe{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Stoltz, D. [Kamerlingh Onnes Laboratory, Leiden University, P.O. Box 9504, 2300 RA Leiden (Netherlands)], E-mail: stoltz@physics.leidenuniv.nl; Bielmann, M.; Schlapbach, L. [Swiss Federal Lab for Materials Science and Technology (EMPA), CH-8600 Duebendorf (Switzerland); Bovet, M. [Institut de Physique, Universite de Neuchatel, CH-2000 Neuchatel (Switzerland); Berger, H. [Institut de Physique Appliquee, EPF, 1015 Lausanne (Switzerland); Goethelid, M. [Materialfysik, MAP, KTH-Electrum, SE-16440 Kista (Sweden); Stoltz, S.E. [MAX-Lab, Lund University, SE-22100 Lund (Sweden); Starnberg, H.I. [Department of Physics, Goeteborg University and Chalmers University of Technology, SE-412 96 Goeteborg (Sweden)

2008-07-01

We show atomically resolved scanning tunneling microscopy (STM) images of charge density waves (CDWs) at room temperature together with angle-resolved photoelectron band-mapping of 1T-TaSe{sub 2}. By comparing the results of these two techniques, we demonstrate the atomic structure of the CDW-features observed by the STM and atomic origin of the reconstructed band-structure in this material.

Determination of the zero point of charge of kaolin waste from the Northeast of Para, BR

International Nuclear Information System (INIS)

Pinto, R.L.S.; Maia, R.F.S.; Felipe, A.M.P.F.

2012-01-01

The Para contributes with more than 50% of national production of kaolin of which 12.5% correspond to the waste generated, which has similar composition to benefited kaolin, can be used as adsorbent of heavy metals. The viscosity influences the design of equipment that can reuse that waste. The pH changes the pulp viscosity and the determination of the zero point of charge can estimate this variation. This study analyzes the influence of pH on the pulp rheology by the determination of the zero point of charge. Tests were made by Scanning Electron Microscopy, Energy Dispersive Spectroscopy, potentiometric titulation and rheological analysis. The results showed zero point of charge equal to 3.7 and confirmed that the viscosity increase at pH values near the zero point of charge and decrease at pH values away from this. (author)

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.

Space-charge compensation of highly charged ion beam from laser ion source

International Nuclear Information System (INIS)

Kondrashev, S.A.; Collier, J.; Sherwood, T.R.

1996-01-01

The problem of matching an ion beam delivered by a high-intensity ion source with an accelerator is considered. The experimental results of highly charged ion beam transport with space-charge compensation by electrons are presented. A tungsten thermionic cathode is used as a source of electrons for beam compensation. An increase of ion beam current density by a factor of 25 is obtained as a result of space-charge compensation at a distance of 3 m from the extraction system. The process of ion beam space-charge compensation, requirements for a source of electrons, and the influence of recombination losses in a space-charge-compensated ion beam are discussed. (author)

Spin and orbital magnetisation densities determined by Compton scattering of photons

International Nuclear Information System (INIS)

Collins, S.P.; Laundy, D.; Cooper, M.J.; Lovesey, S.W.; Uppsala Univ.

1990-03-01

Compton scattering of a circularly polarized photon beam is shown to provide direct information on orbital and spin magnetisation densities. Experiments are reported which demonstrate the feasibility of the method by correctly predicting the ratio of spin and orbital magnetisation components in iron and cobalt. A partially polarised beam of 45 keV photons from the Daresbury Synchrotron Radiation Source produces charge-magnetic interference scattering which is measured by a field-difference method. Theory shows that the interference cross section contains the Compton profile of polarised electrons modulated by a structure factor which is a weighted sum of spin and orbital magnetisations. In particular, the scattering geometry for which the structure factor vanishes yields a unique value for the ratio of the magnetisation densities. Compton scattering, being an incoherent process, provides data on total unit cell magnetisations which can be directly compared with bulk data. In this respect, Compton scattering complements magnetic neutron and photon Bragg diffraction. (author)

Apparent violation of the sum rule for exchange-correlation charges by generalized gradient approximations.

Science.gov (United States)

Kohut, Sviataslau V; Staroverov, Viktor N

2013-10-28

The exchange-correlation potential of Kohn-Sham density-functional theory, vXC(r), can be thought of as an electrostatic potential produced by the static charge distribution qXC(r) = -(1∕4π)∇(2)vXC(r). The total exchange-correlation charge, QXC = ∫qXC(r) dr, determines the rate of the asymptotic decay of vXC(r). If QXC ≠ 0, the potential falls off as QXC∕r; if QXC = 0, the decay is faster than coulombic. According to this rule, exchange-correlation potentials derived from standard generalized gradient approximations (GGAs) should have QXC = 0, but accurate numerical calculations give QXC ≠ 0. We resolve this paradox by showing that the charge density qXC(r) associated with every GGA consists of two types of contributions: a continuous distribution and point charges arising from the singularities of vXC(r) at each nucleus. Numerical integration of qXC(r) accounts for the continuous charge but misses the point charges. When the point-charge contributions are included, one obtains the correct QXC value. These findings provide an important caveat for attempts to devise asymptotically correct Kohn-Sham potentials by modeling the distribution qXC(r).

42 CFR 405.503 - Determining customary charges.

Science.gov (United States)

2010-10-01

... in the law for a carrier to evaluate the reasonableness of charges in light of an individual... “customary charge” for such physician or other person. In making this judgment, an important guide, to be... charges of the same physician or person for other medical procedures and services. (d) Revision of...

DETERMINATION OF SURFACE CHARGE DENSITY OF α ...

African Journals Online (AJOL)

a

A constant supply of nitrogen gas in the cell was used to maintain inert ... molecular sieves, thermal barriers or protectors (up to 1400 °C), seals and fibre mats. .... dry) of α-alumina powder in 50 mL of electrolyte solution inside thermostatted ...

Nanographene charge trapping memory with a large memory window

International Nuclear Information System (INIS)

Meng, Jianling; Yang, Rong; Zhao, Jing; He, Congli; Wang, Guole; Shi, Dongxia; Zhang, Guangyu

2015-01-01

Nanographene is a promising alternative to metal nanoparticles or semiconductor nanocrystals for charge trapping memory. In general, a high density of nanographene is required in order to achieve high charge trapping capacity. Here, we demonstrate a strategy of fabrication for a high density of nanographene for charge trapping memory with a large memory window. The fabrication includes two steps: (1) direct growth of continuous nanographene film; and (2) isolation of the as-grown film into high-density nanographene by plasma etching. Compared with directly grown isolated nanographene islands, abundant defects and edges are formed in nanographene under argon or oxygen plasma etching, i.e. more isolated nanographene islands are obtained, which provides more charge trapping sites. As-fabricated nanographene charge trapping memory shows outstanding memory properties with a memory window as wide as ∼9 V at a relative low sweep voltage of ±8 V, program/erase speed of ∼1 ms and robust endurance of >1000 cycles. The high-density nanographene charge trapping memory provides an outstanding alternative for downscaling technology beyond the current flash memory. (paper)

Structure and Electronic Properties of Neutral and Negatively Charged RhBn Clusters (n = 3-10): A Density Functional Theory Study.

Science.gov (United States)

Li, Peifang; Mei, Tingting; Lv, Linxia; Lu, Cheng; Wang, Weihua; Bao, Gang; Gutsev, Gennady L

2017-08-31

The geometrical structure and electronic properties of the neutral RhB n and singly negatively charged RhB n - clusters are obtained in the range of 3 ≤ n ≤ 10 using the unbiased CALYPSO structure search method and density functional theory (DFT). A combination of the PBE0 functional and the def2-TZVP basis set is used for determining global minima on potential energy surfaces of the Rh-doped B n clusters. The photoelectron spectra of the anions are simulated using the time-dependent density functional theory (TD-DFT) method. Good agreement between our simulated and experimentally obtained photoelectron spectra for RhB 9 - provides support to the validity of our theoretical method. The relative stabilities of the ground-state RhB n and RhB n - clusters are estimated using the calculated binding energies, second-order total energy differences, and HOMO-LUMO gaps. It is found that RhB 7 and RhB 8 - are the most stable species in the neutral and anionic series, respectively. The chemical bonding analysis reveals that the RhB 8 - cluster possesses two sets of delocalized σ and π bonds. In both cases, the Hückel 4N + 2 rule is fulfilled and this cluster possesses both σ and π aromaticities.

Radiation effects in charge coupled devices

International Nuclear Information System (INIS)

Williams, R.A.; Nelson, R.D.

1975-01-01

Charge coupled devices (CCD s) exhibit a number of advantages (low cost, low power, high bit density) in their several applications (serial memories, imagers, digital filters); however, fairly elementary theoretical considerations indicate that they will be very vulnerable to permanent radiation damage, by both neutrons and ionizing radiation, and to transient upset by pulsed ionizing radiation. Although studies of permanent ionizing-radiation damage in CCD's have been reported, little information has been published concerning their overall nuclear radiation vulnerability. This paper presents a fairly comprehensive experimental study of radiation effects in a 256-cell surface-channel, CCD shift-register. A limited amount of similar work is also presented for a 128-cell surface-channel device and a 130 cell peristaltic CCD shift register. The radiation effects phenomena discussed herein, include transient-ionizing-radiation responses, permanent ionizing- radiation damage to transfer efficiency, charge-carrying capacity and input transfer gate bias, and neutron damage to storage time--determined from dark current and charge-up time measurements

Subthreshold slope as a measure of interfacial trap density in pentacene films

International Nuclear Information System (INIS)

Kwon, Yongwoo; Park, Byoungnam

2016-01-01

Electrical properties in organic field effect transistors (FETs) are dominated by charge transport in the accumulation layer, few molecular layers close to the gate dielectric. Through comparison of the subthreshold slope between monolayer (ML) and thick pentacene FETs, formation of the second layer islands on top of the complete first layer is found to be crucial in determining the charge transport in ML pentacene FETs. It is demonstrated that a pentacene ML field effect transistor (FET) is an excellent probe that can detect electronic states of organic semiconductors interfacing with the gate dielectric at nanometer scale. Far higher sub-threshold slope in ML FETs, as a measure of interfacial charge trap density, than that in thick pentacene FETs is translated that the path of the induced carriers in ML FETs is limited into the molecular layer interfacing with the gate dielectric with a high density of charge traps, while carriers in thicker films have alternative pathways through more electrically conductive layer above the first layer with much less trap density. - Highlights: • Sub-threshold slope is demonstrated to be a measure of interface traps. • For application to sensors, effective charge transport layer should be chosen. • Monolayer transistors can be used as a platform for probing localized states.

Subthreshold slope as a measure of interfacial trap density in pentacene films

Energy Technology Data Exchange (ETDEWEB)

Kwon, Yongwoo; Park, Byoungnam, E-mail: metalpbn@hongik.ac.kr

2016-01-29

Electrical properties in organic field effect transistors (FETs) are dominated by charge transport in the accumulation layer, few molecular layers close to the gate dielectric. Through comparison of the subthreshold slope between monolayer (ML) and thick pentacene FETs, formation of the second layer islands on top of the complete first layer is found to be crucial in determining the charge transport in ML pentacene FETs. It is demonstrated that a pentacene ML field effect transistor (FET) is an excellent probe that can detect electronic states of organic semiconductors interfacing with the gate dielectric at nanometer scale. Far higher sub-threshold slope in ML FETs, as a measure of interfacial charge trap density, than that in thick pentacene FETs is translated that the path of the induced carriers in ML FETs is limited into the molecular layer interfacing with the gate dielectric with a high density of charge traps, while carriers in thicker films have alternative pathways through more electrically conductive layer above the first layer with much less trap density. - Highlights: • Sub-threshold slope is demonstrated to be a measure of interface traps. • For application to sensors, effective charge transport layer should be chosen. • Monolayer transistors can be used as a platform for probing localized states.

Effect of surface charge of immortalized mouse cerebral endothelial cell monolayer on transport of charged solutes.

Science.gov (United States)

Yuan, Wei; Li, Guanglei; Gil, Eun Seok; Lowe, Tao Lu; Fu, Bingmei M

2010-04-01

Charge carried by the surface glycocalyx layer (SGL) of the cerebral endothelium has been shown to significantly modulate the permeability of the blood-brain barrier (BBB) to charged solutes in vivo. The cultured monolayer of bEnd3, an immortalized mouse cerebral endothelial cell line, is becoming a popular in vitro BBB model due to its easy growth and maintenance of many BBB characteristics over repeated passages. To test whether the SGL of bEnd3 monolayer carries similar charge as that in the intact BBB and quantify this charge, which can be characterized by the SGL thickness (L(f)) and charge density (C(mf)), we measured the solute permeability of bEnd3 monolayer to neutral solutes and to solutes with similar size but opposite charges: negatively charged alpha-lactalbumin (-11) and positively charged ribonuclease (+3). Combining the measured permeability data with a transport model across the cell monolayer, we predicted the L(f) and the C(mf) of bEnd3 monolayer, which is approximately 160 nm and approximately 25 mEq/L, respectively. We also investigated whether orosomucoid, a plasma glycoprotein modulating the charge of the intact BBB, alters the charge of bEnd3 monolayer. We found that 1 mg/mL orosomucoid would increase SGL charge density of bEnd3 monolayer to approximately 2-fold of its control value.

Incommensurate Phonon Anomaly and the Nature of Charge Density Waves in Cuprates

Science.gov (United States)

Miao, H.; Ishikawa, D.; Heid, R.; Le Tacon, M.; Fabbris, G.; Meyers, D.; Gu, G. D.; Baron, A. Q. R.; Dean, M. P. M.

2018-01-01

While charge density wave (CDW) instabilities are ubiquitous to superconducting cuprates, the different ordering wave vectors in various cuprate families have hampered a unified description of the CDW formation mechanism. Here, we investigate the temperature dependence of the low-energy phonons in the canonical CDW-ordered cuprate La1.875 Ba0.125 CuO4 . We discover that the phonon softening wave vector associated with CDW correlations becomes temperature dependent in the high-temperature precursor phase and changes from a wave vector of 0.238 reciprocal lattice units (r.l.u.) below the ordering transition temperature to 0.3 r.l.u. at 300 K. This high-temperature behavior shows that "214"-type cuprates can host CDW correlations at a similar wave vector to previously reported CDW correlations in non-214-type cuprates such as YBa2 Cu3 O6 +δ . This indicates that cuprate CDWs may arise from the same underlying instability despite their apparently different low-temperature ordering wave vectors.

Phase transitions to dipolar clusters and charge density waves in high T_c superconductors

International Nuclear Information System (INIS)

Saarela, M.; Kusmartsev, F.V.

2017-01-01

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.

System of automized determination of charged particle trajectories in extended magnetic fields

International Nuclear Information System (INIS)

Toumanian, A.R.

1981-01-01

An automized system for the determination of particle trajectories by the floating current-carrying wire method is described. The system is able to determine the charged particle trajectories with the energy above 100 MeV in magnetic systems of any configuration and with track extent up to several tens metres with momentum resolution up to 3.10 -4 . The system efficiency makes 1500 tracks/hour on the average [ru

Electrostatic charges in v x B fields and the phenomenon of induction

International Nuclear Information System (INIS)

Bringuier, Eric

2003-01-01

The appearance of electrostatic charges in a moving conductor subjected to a static magnetic field is reviewed, and the ensuing electric field is shown to obey Faraday's law of induction. The charge density and the electric field are determined analytically in detail in the case of a circular loop rotating in a uniform magnetic field. The case of a non-conductor moving in a magnetic field is also dealt with. Non-relativistic reasoning and calculations are used throughout

Electrostatic charges in v x B fields and the phenomenon of induction

CERN Document Server

Bringuier, E

2003-01-01

The appearance of electrostatic charges in a moving conductor subjected to a static magnetic field is reviewed, and the ensuing electric field is shown to obey Faraday's law of induction. The charge density and the electric field are determined analytically in detail in the case of a circular loop rotating in a uniform magnetic field. The case of a non-conductor moving in a magnetic field is also dealt with. Non-relativistic reasoning and calculations are used throughout.

Improved charge-coupled device detectors for high-speed, charge exchange spectroscopy studies on the DIII-D tokamak

International Nuclear Information System (INIS)

Burrell, K.H.; Gohil, P.; Groebner, R.J.; Kaplan, D.H.; Robinson, J.I.; Solomon, W.M.

2004-01-01

Charge exchange spectroscopy is one of the key ion diagnostics on the DIII-D tokamak. It allows determination of ion temperature, poloidal and toroidal velocity, impurity density, and radial electric field E r throughout the plasma. For the 2003 experimental campaign, we replaced the intensified photodiode array detectors on the central portion of the DIII-D charge exchange spectroscopy system with advanced charge-coupled device (CCD) detectors mounted on faster (f/4.7) Czerny-Turner spectrometers equipped with toroidal mirrors. The CCD detectors are improved versions of the ones installed on our edge system in 1999. The combination improved the photoelectron signal level by about a factor of 20 and the signal to noise by a factor of 2-8, depending on the absolute signal level. The new cameras also allow shorter minimum integration times while archiving to PC memory: 0.552 ms for the slower, lower-read noise (15 e) readout mode and 0.274 ms in the faster, higher-read noise (30 e) mode

Bond charge approximation for valence electron density in elemental semiconductors

International Nuclear Information System (INIS)

Bashenov, V.K.; Gorbachov, V.E.; Marvakov, D.I.

1985-07-01

The spatial valence electron distribution in silicon and diamond is calculated in adiabatic bond charge approximation at zero temperature when bond charges have the Gaussian shape and their tensor character is taken into account. An agreement between theory and experiment has been achieved. For this purpose Xia's ionic pseudopotentials and Schulze-Unger's dielectric function are used. By two additional parameters Asub(B) and Zsub(B)sup(') we describe the spatial extent of the bond charge and local-field corrections, respectively. The parameter Zsub(B)sup(') accounts for the ratio between the Coulomb and exchange correlation interactions of the valence electrons and its silicon and diamond values have different signs. (author)

Density-dependent coupling constants and charge symmetry breaking

International Nuclear Information System (INIS)

Barreiro, L.A.

2001-01-01

The effect of the medium in the coupling constants implicate in a charge symmetry breaking on nuclear interactions. The amount of energy due to this modification can explain the Nolen-Schiffer anomaly. (author)

Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe3

International Nuclear Information System (INIS)

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

2006-01-01

The local structure of CeTe 3 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

Form factors and transition charge density of 16O and 18O nuclei

International Nuclear Information System (INIS)

Gul'karov, I.S.; Vakil', R.Kh.

1986-01-01

A formula is obtained for the transition density of charge (TDC) in the Helm model. The form factors are analysed for inelastic scattering of electrons On the 16 O isotopes (O 1 + , 6.052 MeV; 2 1 + , 6.917 MeV) and on the 18 O isotopes (0 1 + , 3.630 MeV; 2 1 + , 1.982 MeV; 0 2 + , 3.919 MeV; 2 3 + , 5.250 MeV; 4 1 + , 3.553 MeV; 4 2 + , 7.114 MeV). For monopole transitions the TDC is of the volume kind, but for L=2 and 4 transitions the TDC has a maximum at approximately R (R is the nuclear surface radius). There are as well obtained the first TDC moments, i.e. the reduced transition probabilities and transition radii of 16 O and 18 O

Determination of the charge radii of several light nuclei from precision, high-energy electron elastic scattering

Energy Technology Data Exchange (ETDEWEB)

Kabir, Al Amin [Kent State Univ., Kent, OH (United States)

2015-12-01

Analysis of high-energy electron scattering has been used to determine the charge radii of nuclei for several decades. Recent analysis of the Lamb shift in muonic hydrogen found an r.m.s. radius significantly different than the electron scattering result. To understand this puzzle we have analyzed the "LEDEX" data for the (e, e'p) reaction. This experiment includes measurements on several light nuclei, hydrogen, deuterium, lithium, boron, and carbon. To test our ability to measure absolute cross sections, as well as our ability to extract the charge radius, we tested our technique against the extremely well-measured carbon case and found excellent agreement using the Fourier-Bessel parametrization. We then extended the procedure to boron and lithium, which show nice agreement with the latest theoretical calculations. For hydrogen, we see clearly the limits of this technique and therefore, the charge radius is determined from the traditional extrapolation to q² = 0. We will show that there is a model dependence in extracting the charge radius of hydrogen and its unambiguous determination is very difficult with available electron-scattering measurements.

Current distribution tomography for determination of internal current density distributions

International Nuclear Information System (INIS)

Gailey, P.C.

1993-01-01

A method is presented for determination of current densities inside a cylindrical object using measurements of the magnetic fields outside the object. The cross section of the object is discretized with the current assumed constant over each defined region. Magnetic fields outside the object are related to the internal current densities through a geometry matrix which can be inverted to yield a solution for the current densities in terms of the measured fields. The primary limitation of this technique results from singularities in the geometry matrix that arise due to cylindrical symmetry of the problem. Methods for circumventing the singularities to obtain information about the distribution of current densities are discussed. This process of current distribution tomography is designed to determine internal body current densities using measurements of the external magnetic field distribution. It is non-invasive, and relatively simple to implement. Although related to a more general study of magnetic imaging which has been used to investigate endogenous currents in the brain and other parts of the body, it is restricted to currents either applied directly or induced by exposure to an external field. The research is related to public concern about the possibility of health effects resulting from exposure to power frequency electric and magnetic fields

Density Determination of Metallic Melts from Diffuse X-Ray Scattering

Science.gov (United States)

Brauser, N.; Davis, A.; Greenberg, E.; Prakapenka, V. B.; Campbell, A.

2017-12-01

Liquids comprise several important structural components of the deep Earth, for example, the present outer core and a hypothesized magma ocean early in Earth history. However, the physical properties of the constituent materials of these structures at high pressures and temperatures are less well constrained than their crystalline counterparts. Determination of the physical properties of these liquids can inform geophysical models of the composition and structure of the Earth, but methods for studying the physical properties of liquids at high pressure and temperatures are underdeveloped. One proposed method for direct determination of density of a melt requires analysis of the diffuse scattered X-ray signal of the liquid. Among the challenges to applying this technique to high-pressure melts within a laser heated diamond anvil cell are the low signal-to-noise ratio and overlapping diffraction peaks from the crystalline components of the sample assembly interfering with the diffuse scattering from the liquid. Recent advances in instrumentation at synchrotron X-ray sources have made this method more accessible for determination of density of melted material. In this work we present the technique and report the densities of three high-pressure melts of the FCC metals iron, nickel, and gold derived from diffuse scattered X-ray spectra collected from in situ laser-heated diamond anvil cell synchrotron experiments. The results are compared to densities derived from shock wave experiments.

Non-contact, non-destructive, quantitative probing of interfacial trap sites for charge carrier transport at semiconductor-insulator boundary

Energy Technology Data Exchange (ETDEWEB)

Choi, Wookjin; Miyakai, Tomoyo; Sakurai, Tsuneaki; Saeki, Akinori [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Yokoyama, Masaaki [Kaneka Fundamental Technology Research Alliance Laboratories, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Seki, Shu, E-mail: seki@chem.eng.osaka-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Kaneka Fundamental Technology Research Alliance Laboratories, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan)

2014-07-21

The density of traps at semiconductor–insulator interfaces was successfully estimated using microwave dielectric loss spectroscopy with model thin-film organic field-effect transistors. The non-contact, non-destructive analysis technique is referred to as field-induced time-resolved microwave conductivity (FI-TRMC) at interfaces. Kinetic traces of FI-TRMC transients clearly distinguished the mobile charge carriers at the interfaces from the immobile charges trapped at defects, allowing both the mobility of charge carriers and the number density of trap sites to be determined at the semiconductor-insulator interfaces. The number density of defects at the interface between evaporated pentacene on a poly(methylmethacrylate) insulating layer was determined to be 10{sup 12 }cm{sup −2}, and the hole mobility was up to 6.5 cm{sup 2} V{sup −1} s{sup −1} after filling the defects with trapped carriers. The FI-TRMC at interfaces technique has the potential to provide rapid screening for the assessment of interfacial electronic states in a variety of semiconductor devices.

Diffusive charge transport in graphene

Science.gov (United States)

Chen, Jianhao

The physical mechanisms limiting the mobility of graphene on SiO 2 are studied and printed graphene devices on a flexible substrate are realized. Intentional addition of charged scattering impurities is used to study the effects of charged impurities. Atomic-scale defects are created by noble-gas ions irradiation to study the effect of unitary scatterers. The results show that charged impurities and atomic-scale defects both lead to conductivity linear in density in graphene, with a scattering magnitude that agrees quantitatively with theoretical estimates. While charged impurities cause intravalley scattering and induce a small change in the minimum conductivity, defects in graphene scatter electrons between the valleys and suppress the minimum conductivity below the metallic limit. Temperature-dependent measurements show that longitudinal acoustic phonons in graphene produce a small resistivity which is linear in temperature and independent of carrier density; at higher temperatures, polar optical phonons of the SiO2 substrate give rise to an activated, carrier density-dependent resistivity. Graphene is also made into high mobility transparent and flexible field effect device via the transfer-printing method. Together the results paint a complete picture of charge carrier transport in graphene on SiO2 in the diffusive regime, and show the promise of graphene as a novel electronic material that have potential applications not only on conventional inorganic substrates, but also on flexible substrates.

Charge separation in contact systems with CdSe quantum dot layers

Energy Technology Data Exchange (ETDEWEB)

Zillner, Elisabeth Franziska

2013-03-06

Quantum dot (QD) solar cells are a fast developing area in the field of solution processed photovoltaics. Central aspects for the application of QDs in solar cells are separation and transport of charge carriers in the QD layers and the formation of charge selective contacts. Even though efficiencies of up to 7% were reached in QD solar cells, these processes are not yet fully understood. In this thesis the mechanisms of charge separation, transport and recombination in CdSe QD layers and layer systems were studied. Charge separation was measured via surface photovoltage (SPV) at CdSe QD layers with thicknesses in the range of monolayers. To determine the influence of interparticle distance of QDs and trap states on the surface of QDs on charge separation, QDs with four different surfactant layers were studied. Layers of CdSe QDs were prepared on ITO, Si, SiO{sub 2} and CdS by dip coating under inert atmosphere. The layers were characterized by Rutherford backscattering spectrometry, UV-vis spectroscopy, step profilometry and scanning electron microscopy to determine the areal density, the absorption and thickness of CdSe QD monolayers. SPV measurements show that initial charge separation from the CdSe QDs on ITO only happened from the fi rst monolayer of QDs. Electrons, photo-excited in the fi rst monolayer of CdSe QDs, were trapped on the ITO surface. The remaining free holes were trapped in surface states and/or diffused into the neighboring QD layers. The thick surfactant layer ({approx} 1.6 nm) of pristine QDs had to be reduced by washing and/or ligand exchange for separation of photo-excited charge carriers. Both, interparticle distance and trap density, influenced the processes of charge separation and recombination. SPV transients of CdSe monolayers could be described by a single QD approximation model, based on Miller-Abrahams hopping of holes between the delocalized excitonic state, traps on the surface of the QD and the filled trap on the ITO surface

Charge separation in contact systems with CdSe quantum dot layers

International Nuclear Information System (INIS)

Zillner, Elisabeth Franziska

2013-01-01

Quantum dot (QD) solar cells are a fast developing area in the field of solution processed photovoltaics. Central aspects for the application of QDs in solar cells are separation and transport of charge carriers in the QD layers and the formation of charge selective contacts. Even though efficiencies of up to 7% were reached in QD solar cells, these processes are not yet fully understood. In this thesis the mechanisms of charge separation, transport and recombination in CdSe QD layers and layer systems were studied. Charge separation was measured via surface photovoltage (SPV) at CdSe QD layers with thicknesses in the range of monolayers. To determine the influence of interparticle distance of QDs and trap states on the surface of QDs on charge separation, QDs with four different surfactant layers were studied. Layers of CdSe QDs were prepared on ITO, Si, SiO 2 and CdS by dip coating under inert atmosphere. The layers were characterized by Rutherford backscattering spectrometry, UV-vis spectroscopy, step profilometry and scanning electron microscopy to determine the areal density, the absorption and thickness of CdSe QD monolayers. SPV measurements show that initial charge separation from the CdSe QDs on ITO only happened from the fi rst monolayer of QDs. Electrons, photo-excited in the fi rst monolayer of CdSe QDs, were trapped on the ITO surface. The remaining free holes were trapped in surface states and/or diffused into the neighboring QD layers. The thick surfactant layer (∼ 1.6 nm) of pristine QDs had to be reduced by washing and/or ligand exchange for separation of photo-excited charge carriers. Both, interparticle distance and trap density, influenced the processes of charge separation and recombination. SPV transients of CdSe monolayers could be described by a single QD approximation model, based on Miller-Abrahams hopping of holes between the delocalized excitonic state, traps on the surface of the QD and the filled trap on the ITO surface

Scanning-tunneling microscope imaging of single-electron solitons in a material with incommensurate charge-density waves.

Science.gov (United States)

Brazovskii, Serguei; Brun, Christophe; Wang, Zhao-Zhong; Monceau, Pierre

2012-03-02

We report on scanning-tunneling microscopy experiments in a charge-density wave (CDW) system allowing visually capturing and studying in detail the individual solitons corresponding to the self-trapping of just one electron. This "Amplitude Soliton" is marked by vanishing of the CDW amplitude and by the π shift of its phase. It might be the realization of the spinon--the long-sought particle (along with the holon) in the study of science of strongly correlated electronic systems. As a distinct feature we also observe one-dimensional Friedel oscillations superimposed on the CDW which develop independently of solitons.

Benchmarking lithium amide versus amine bonding by charge density and energy decomposition analysis arguments.

Science.gov (United States)

Engelhardt, Felix; Maaß, Christian; Andrada, Diego M; Herbst-Irmer, Regine; Stalke, Dietmar

2018-03-28

Lithium amides are versatile C-H metallation reagents with vast industrial demand because of their high basicity combined with their weak nucleophilicity, and they are applied in kilotons worldwide annually. The nuclearity of lithium amides, however, modifies and steers reactivity, region- and stereo-selectivity and product diversification in organic syntheses. In this regard, it is vital to understand Li-N bonding as it causes the aggregation of lithium amides to form cubes or ladders from the polar Li-N covalent metal amide bond along the ring stacking and laddering principle. Deaggregation, however, is more governed by the Li←N donor bond to form amine adducts. The geometry of the solid state structures already suggests that there is σ- and π-contribution to the covalent bond. To quantify the mutual influence, we investigated [{(Me 2 NCH 2 ) 2 (C 4 H 2 N)}Li] 2 ( 1 ) by means of experimental charge density calculations based on the quantum theory of atoms in molecules (QTAIM) and DFT calculations using energy decomposition analysis (EDA). This new approach allows for the grading of electrostatic Li + N - , covalent Li-N and donating Li←N bonding, and provides a way to modify traditional widely-used heuristic concepts such as the -I and +I inductive effects. The electron density ρ ( r ) and its second derivative, the Laplacian ∇ 2 ρ ( r ), mirror the various types of bonding. Most remarkably, from the topological descriptors, there is no clear separation of the lithium amide bonds from the lithium amine donor bonds. The computed natural partial charges for lithium are only +0.58, indicating an optimal density supply from the four nitrogen atoms, while the Wiberg bond orders of about 0.14 au suggest very weak bonding. The interaction energy between the two pincer molecules, (C 4 H 2 N) 2 2- , with the Li 2 2+ moiety is very strong ( ca. -628 kcal mol -1 ), followed by the bond dissociation energy (-420.9 kcal mol -1 ). Partitioning the interaction energy

Determination of $A^{b}_{FB}$ at the Z pole using inclusive charge reconstruction and lifetime tagging

CERN Document Server

Abdallah, J; Treille, D

2005-01-01

A novel high precision method measures the b-quark forward-backward asymmetry at the Z pole on a sample of 3,560,890 hadronic events collected with the DELPHI detector in 1992 to 2000. An enhanced impact parameter tag provides a high purity b sample. For event hemispheres with a reconstructed secondary vertex the charge of the corresponding quark or anti-quark is determined using a neutral network which combines in an optimal way the full available charge information from the vertex charge, the jet charge and from identified leptons and hadrons. The probability of correct identifying b-quarks and anti-quarks is measured on the data themselves comparing the rates of double hemisphere tagged like-sign and unlike-sign events. The b-quark forward-backward asymmetry is determined from the differential asymmetry, taking small corrections due to hemisphere correlations and background contributions into account. The results for different centre-of-mass energies are: A^{b}_{FB} (89.449 GeV) = 0.0637 +- 0.0143(stat.)+-...

Single-crystal study of the charge density wave metal LuNiC2

Science.gov (United States)

Steiner, S.; Michor, H.; Sologub, O.; Hinterleitner, B.; Höfenstock, F.; Waas, M.; Bauer, E.; Stöger, B.; Babizhetskyy, V.; Levytskyy, V.; Kotur, B.

2018-05-01

We report on single-crystal growth, single-crystal x-ray diffraction, physical properties, and density functional theory (DFT) electronic structure as well as Fermi surface calculations for two ternary carbides, LuCoC2 and LuNiC2. Electrical resistivity measurements reveal for LuNiC2 a charge density wave (CDW) transition at TCDW≃450 K and, for T >TCDW , a significant anisotropy of the electrical resistivity, which is lowest along the orthorhombic a axis. The analysis of x-ray superstructure reflections suggest a commensurate CDW state with a Peierls-type distortion of the Ni atom periodicity along the orthorhombic a axis. DFT calculations based on the CDW modulated monoclinic structure model of LuNiC2 as compared to results of the orthorhombic parent type reveal the formation of a partial CDW gap at the Fermi level which reduces the electronic density of states from N (EF)=1.03 states/eV f.u. without CDW to N (EF)=0.46 states/eV f.u. in the CDW state. The corresponding bare DFT Sommerfeld value of the latter, γDFTCDW=0.90 mJ/mol K2, reaches reasonable agreement with the experimental value γ =0.83 (5 ) mJ/mol K2 of LuNiC2. LuCoC2 displays a simple metallic behavior with neither CDW ordering nor superconductivity above 0.4 K. Its experimental Sommerfeld coefficient, γ =5.9 (1) mJ/mol K2, is in realistic correspondence with the calculated, bare Sommerfeld coefficient, γDFT=3.82 mJ/mol K2, of orthorhombic LuCoC2.

Spin-Charge Separation in Finite Length Metallic Carbon Nanotubes

KAUST Repository

Zhang, Yongyou; Zhang, Qingyun; Schwingenschlö gl, Udo

2017-01-01

Using time-dependent density functional theory, we study the optical excitations in finite length carbon nanotubes. Evidence of spin-charge separation is given in the spacetime domain. We demonstrate that the charge density wave is due to collective

Induced Charge Fluctuations in Semiconductor Detectors with a Cylindrical Geometry

Science.gov (United States)

Samedov, Victor V.

2018-01-01

Now, compound semiconductors are very appealing for hard X-ray room-temperature detectors for medical and astrophysical applications. Despite the attractive properties of compound semiconductors, such as high atomic number, high density, wide band gap, low chemical reactivity and long-term stability, poor hole and electron mobility-lifetime products degrade the energy resolution of these detectors. The main objective of the present study is in development of a mathematical model of the process of the charge induction in a cylindrical geometry with accounting for the charge carrier trapping. The formulae for the moments of the distribution function of the induced charge and the formulae for the mean amplitude and the variance of the signal at the output of the semiconductor detector with a cylindrical geometry were derived. It was shown that the power series expansions of the detector amplitude and the variance in terms of the inverse bias voltage allow determining the Fano factor, electron mobility lifetime product, and the nonuniformity level of the trap density of the semiconductor material.

On the determination of phosphorus via charged particle activation analysis Pt. 2

International Nuclear Information System (INIS)

Kormali, S.M.; James, W.D.; Poland, J.E.; Schweikert, E.A.

1985-01-01

The application of charged particle activation analysis to the determination of phosphorus in a variety of sample materials is discussed. The activity produced via the sup(31)P(α,n)sup(34m)Cl reaction is quantitated either nondestructively or using postirradiation radiochemical separations depending on the characteristics of the sample matrices. Corrections which are necessary for the determination of phosphorus in pure tantalum metal due to spectral interferences are discussed. (author)

Charge-density matching in organic-inorganic uranyl compounds

Energy Technology Data Exchange (ETDEWEB)

Krivovichev, S.V. [Saint Petersburg State Univ., Dept. of Crystallography, Faculty of Geology (Russian Federation); Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F. [Russian Academy of Sciences, A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Moscow (Russian Federation)

2007-10-15

Single crystals of [C{sub 10}H{sub 26}N{sub 2}][(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}SeO{sub 4}){sub 0.85}(H{sub 2}O){sub 2} (1), [C{sub 10}H{sub 26}N{sub 2}][(UO{sub 2})(SeO{sub 4}){sub 2}] (H{sub 2}SeO{sub 4}){sub 0.50}(H{sub 2}O) (2), and [C{sub 8}H{sub 20}N]{sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)] (H{sub 2}O) (3) were prepared by evaporation from aqueous solution of uranyl nitrate, selenic acid and the respective amines. The structures of the compounds have been solved by direct methods and structural models have been obtained. The structures of the compounds 1, 2, and 3 contain U and Se atoms in pentagonal bipyramidal and tetrahedral coordinations, respectively. The UO{sub 7} and SeO{sub 4} polyhedra polymerize by sharing common O atoms to form chains (compound 1) or sheets (compounds 2 and 3). In the structure of 1, the layers consisting of hydrogen-bonded [UO{sub 2}(SeO{sub 4}){sub 2}(H{sub 2}O)]{sup 2-} chains are separated by mixed organic-inorganic layers comprising from [NH{sub 3}(CH{sub 2}){sub 10}NH{sub 3}]{sup 2+} molecules, H{sub 2}O molecules, and disordered electroneutral (H{sub 2}SeO{sub 4}) groups. The structure of 2 has a similar architecture but a purely inorganic layer is represented by a fully connected [UO{sub 2}(SeO{sub 4}){sub 2}]{sup 2-} sheet. The structure of 3 does not contain disordered (H{sub 2}SeO{sub 4}) groups but is based upon alternating [UO{sub 2}(SeO{sub 4}){sub 2}(H{sub 2}O)]{sup 2-} sheets and 1.5-nm-thick organic blocks consisting of positively charged protonated octylamine molecules, [NH{sub 3}(CH{sub 2}){sub 7}CH{sub 3}]{sup +}. The structures may be considered as composed of anionic inorganic sheets (2D blocks) and cationic organic blocks self-organized according to competing hydrophilic-hydrophobic interactions. Analysis of the structures allows us to conclude that the charge-density matching principle is observed in uranyl compounds. In order to satisfy some basic peculiarities of uranyl (in

Determination of densities from chemical composition and X-Ray diffraction

International Nuclear Information System (INIS)

Azevedo, A.L.T. de

1980-01-01

X-ray diffraction method applied to retained austenite measurements gives volume per cent results, whereas the same kind of measurement made by Moessbauer Effect gives iron percentages. To compare both results one needs to convert the volume % to weight % or vice-versa. This necessitates, among other things, in determining the densities of the α and #betta# phases in the steel being studied. A method for calculating the densities, based on the application of the definition of density to just one unit cell, using X-ray diffraction and chemical results, are described. (Author) [pt

Determination of dislocation densities in InN

Energy Technology Data Exchange (ETDEWEB)

Ardali, Sukru; Tiras, Engin [Department of Physics, Faculty of Science, Anadolu University, Yunus Emre Campus, Eskisehir 26470 (Turkey); Gunes, Mustafa; Balkan, Naci [School of Computer Science and Electronic Engineering, University of Essex, Wivenhoe Park, Colchester CO4 3SQ (United Kingdom); Ajagunna, Adebowale Olufunso; Iliopoulos, Eleftherios; Georgakilas, Alexandros [Microelectronics Research Group, IESL, FORTH and Physics Department, University of Crete, P.O. Box 1385, 71110 Heraklion-Crete (Greece)

2012-03-15

The magneto-transport measurements, carried out at magnetic fields up to 11 T and in the temperature range between 1.8 K and 300 K, are used to investigate the scattering mechanisms in GaN/InN/AlN double heterojunctions. Theoretical modeling is based on a variational approach to solving Boltzmann transport equation. It is found that dislocation scattering is the dominant scattering mechanisms at low temperatures because of the large lattice mismatch with the substrate and hence the high density of dislocations in these material systems. Nevertheless, InN epilayers are characterized by a high background carrier density, probably associated with unwanted impurities. Therefore, we also included in our calculations the ionized impurity scattering. However, the effect of ionized impurity scattering as well as the acoustic phonon scattering, remote- background-ionized impurity scattering, and interface roughness scattering on electron mobility are much smaller than that of dislocation scattering. The dislocation densities, in samples with InN thicknesses of 0.4, 0.6 and 0.8 {mu}m, are then determined from the best fit to the experimental data for the low-temperature transport mobility (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Evaluation of techniques for determining the density of fine woody debris

Science.gov (United States)

Becky Fasth; Mark E. Harmon; Christopher W. Woodall; Jay. Sexton

2010-01-01

Evaluated various techniques for determining the density (i.e., bulk density) of fine woody debris during forest inventory activities. It was found that only experts in dead wood inventory may be able to identify fine woody debris stages of decay. Suggests various future research directions such as...

An analytic expression for the sheath criterion in magnetized plasmas with multi-charged ion species

International Nuclear Information System (INIS)

Hatami, M. M.

2015-01-01

The generalized Bohm criterion in magnetized multi-component plasmas consisting of multi-charged positive and negative ion species and electrons is analytically investigated by using the hydrodynamic model. It is assumed that the electrons and negative ion density distributions are the Boltzmann distribution with different temperatures and the positive ions enter into the sheath region obliquely. Our results show that the positive and negative ion temperatures, the orientation of the applied magnetic field and the charge number of positive and negative ions strongly affect the Bohm criterion in these multi-component plasmas. To determine the validity of our derived generalized Bohm criterion, it reduced to some familiar physical condition and it is shown that monotonically reduction of the positive ion density distribution leading to the sheath formation occurs only when entrance velocity of ion into the sheath satisfies the obtained Bohm criterion. Also, as a practical application of the obtained Bohm criterion, effects of the ionic temperature and concentration as well as magnetic field on the behavior of the charged particle density distributions and so the sheath thickness of a magnetized plasma consisting of electrons and singly charged positive and negative ion species are studied numerically

Position Reconstruction and Charge Distribution in LHCb VELO Silicon Sensors

CERN Document Server

Versloot, TW; Akiba, K; Artuso, M; Van Beuzekom, M; Borel, J; Bowcock, TJV; Buytaert, J; Collins, P; Dumps, R; Dwyer, L; Eckstein, D; Eklund, L; Ferro-Luzzi, M; Frei, R; Gersabek M; Haefeli, G; Hennessy, K; Huse, T; Jans, E; John, M; Ketel, TJ; Keune, A; Lastoviicka, T; Mountain, R; Neufeld, N; Parkes, C; Stone, S; Szumlak, T; Tobin, M; Van Lysebetten, A; Viret, S; De Vries, H; Wang, J

2007-01-01

In 2006, a partially equipped LHCb VELO detector half was characterised in a test beam experiment (Alignment Challenge and Detector Commissioning, ACDC3). The position reconstruction and resolution for 2-strip R-sensor clusters was studied as a function of strip pitch and track inclination on the sensor surface. The Charge Density Distribution (CDD) is derived from the weighted charge distribution. It becomes asymmetric for tracks non-perpendicular to the strip surface. It is shown that the asymmetric broadening of the CDD around the track intercept position results in a linear eta-function at higher angles (>6 degrees). The sensor spatial resolution is determined both using a linear weighted mean of strip charges, as well as a third-order polynomial approximation via a eta-correction. The experimental results are in agreement with previous simulations. Future studies are underway to determine the angle and pitch dependent parameters which will be implemented in the LHCb VELO cluster position software tools.

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

Science.gov (United States)

Sukhomlinov, Sergey V; Müser, Martin H

2015-12-14

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

Measurement of chirality of charge-density-waves in TiSe2 by using STM

International Nuclear Information System (INIS)

Ishioka, J.; Liu, Y.H.; Shimatake, K.; Kurosawa, T.; Ichimura, K.; Toda, Y.; Oda, M.; Tanda, S.

2010-01-01

We report the chirality of charge density waves (CDW) in 1T-TiSe 2 by using scanning tunneling microscopy (STM) measurements. We found that the CDW intensity becomes Ia 1 :Ia 2 :Ia 3 =1:0.7±0.1:0.5±0.1, where Ia 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 0 /3. This chirality is attributed to the helical stacking such as cholesteric liquid crystals.

Spectral function from Reduced Density Matrix Functional Theory

Science.gov (United States)

Romaniello, Pina; di Sabatino, Stefano; Berger, Jan A.; Reining, Lucia

2015-03-01

In this work we focus on the calculation of the spectral function, which determines, for example, photoemission spectra, from reduced density matrix functional theory. Starting from its definition in terms of the one-body Green's function we derive an expression for the spectral function that depends on the natural occupation numbers and on an effective energy which accounts for all the charged excitations. This effective energy depends on the two-body as well as higher-order density matrices. Various approximations to this expression are explored by using the exactly solvable Hubbard chains.

Influence of polymer charge on the shear yield stress of silica aggregated with adsorbed cationic polymers.

Science.gov (United States)

Zhou, Ying; Yu, Hai; Wanless, Erica J; Jameson, Graeme J; Franks, George V

2009-08-15

Flocs were produced by adding three cationic polymers (10% charge density, 3.0x10(5) g/mol molecular weight; 40% charge density, 1.1x10(5) g/mol molecular weight; and 100% charge density, 1.2x10(5) g/mol molecular weight) to 90 nm diameter silica particles. The shear yield stresses of the consolidated sediment beds from settled and centrifuged flocs were determined via the vane technique. The polymer charge density plays an important role in influencing the shear yield stresses of sediment beds. The shear yield stresses of sediment beds from flocs induced by the 10% charged polymer were observed to increase with an increase in polymer dose, initial solid concentration and background electrolyte concentration at all volume fractions. In comparison, polymer dose has a marginal effect on the shear yield stresses of sediment beds from flocs induced by the 40% and 100% charged polymers. The shear yield stresses of sediments from flocs induced by the 40% charged polymer are independent of salt concentration whereas the addition of salt decreases the shear yield stresses of sediments from flocs induced by the 100% charged polymer. When flocculated at the optimum dose for each polymer (12 mg/g silica for the 10% charged polymer at 0.03 M NaCl, 12 mg/g for 40% and 2 mg/g for 100%), shear yield stress increases as polymer charge increases. The effects observed are related to the flocculation mechanism (bridging, patch attraction or charge neutralisation) and the magnitude of the adhesive force. Comparison of shear and compressive yield stresses show that the network is only slightly weaker in shear than in compression. This is different than many other systems (mainly salt and pH coagulation) which have shear yield stress much less than compressive yield stress. The existing models relating the power law exponent of the volume fraction dependence of the shear yield stress to the network fractal structure are not satisfactory to predict all the experimental behaviour.

Multi-charge-state molecular dynamics and self-diffusion coefficient in the warm dense matter regime

Science.gov (United States)

Fu, Yongsheng; Hou, Yong; Kang, Dongdong; Gao, Cheng; Jin, Fengtao; Yuan, Jianmin

2018-01-01

We present a multi-ion molecular dynamics (MIMD) simulation and apply it to calculating the self-diffusion coefficients of ions with different charge-states in the warm dense matter (WDM) regime. First, the method is used for the self-consistent calculation of electron structures of different charge-state ions in the ion sphere, with the ion-sphere radii being determined by the plasma density and the ion charges. The ionic fraction is then obtained by solving the Saha equation, taking account of interactions among different charge-state ions in the system, and ion-ion pair potentials are computed using the modified Gordon-Kim method in the framework of temperature-dependent density functional theory on the basis of the electron structures. Finally, MIMD is used to calculate ionic self-diffusion coefficients from the velocity correlation function according to the Green-Kubo relation. A comparison with the results of the average-atom model shows that different statistical processes will influence the ionic diffusion coefficient in the WDM regime.

In situ determination of Earth matter density in a neutrino factory

Science.gov (United States)

Minakata, Hisakazu; Uchinami, Shoichi

2007-04-01

We point out that an accurate in situ determination of the earth matter density ρ is possible in neutrino factory by placing a detector at the magic baseline, L=2π/GFNe where Ne denotes electron number density. The accuracy of matter density determination is excellent in a region of relatively large θ13 with fractional uncertainty δρ/ρ of about 0.43%, 1.3%, and ≲3% at 1σ CL at sin⁡22θ13=0.1, 10-2, and 3×10-3, respectively. At smaller θ13 the uncertainty depends upon the CP phase δ, but it remains small, 3% 7% in more than 3/4 of the entire region of δ at sin⁡22θ13=10-4. The results would allow us to solve the problem of obscured CP violation due to the uncertainty of earth matter density in a wide range of θ13 and δ. It may provide a test for the geophysical model of the earth, or it may serve as a method for a stringent test of the Mikheyev-Smirnov-Wolfenstein theory of neutrino propagation in matter once an accurate geophysical estimation of the matter density is available.

Pore size determination from charged particle energy loss measurement

International Nuclear Information System (INIS)

Brady, F.P.; Armitage, B.H.

1977-01-01

A new method aimed at measuring porosity and mean pore size in materials has been developed at Harwell. The energy width or variance of a transmitted or backscattered charged particle beam is measured and related to the mean pore size via the assumption that the variance in total path length in the porous material is given by (Δx 2 )=na 2 , where n is the mean number of pores and a the mean pore size. It is shown on the basis of a general and rigorous theory of total path length distribution that this approximation can give rise to large errors in the mean pore size determination particularly in the case of large porosities (epsilon>0.5). In practice it is found that it is not easy to utilize fully the general theory because accurate measurements of the first four moments are required to determine the means and variances of the pore and inter-pore length distributions. Several models for these distributions are proposed. When these are incorporated in the general theory the determinations of mean pore size from experimental measurements on powder samples are in good agreement with values determined by other methods. (Auth.)

Development of a self-consistent model of dust grain charging at elevated pressures using the method of moments

International Nuclear Information System (INIS)

Filippov, A.V.; Dyatko, N.A.; Pal', A.F.; Starostin, A.N.

2003-01-01

A model of dust grain charging is constructed using the method of moments. The dust grain charging process in a weakly ionized helium plasma produced by a 100-keV electron beam at atmospheric pressure is studied theoretically. In simulations, the beam current density was varied from 1 to 10 6 μA/cm 2 . It is shown that, in a He plasma, dust grains of radius 5 μm and larger perturb the electron temperature only slightly, although the reduced electric field near the grain reaches 8 Td, the beam current density being 10 6 μA/cm 2 . It is found that, at distances from the grain that are up to several tens or hundreds of times larger than its radius, the electron and ion densities are lower than their equilibrium values. Conditions are determined under which the charging process may be described by a model with constant electron transport coefficients. The dust grain charge is shown to be weakly affected by secondary electron emission. In a beam-produced helium plasma, the dust grain potential calculated in the drift-diffusion model is shown to be close to that calculated in the orbit motion limited model. It is found that, in the vicinity of a body perturbing the plasma, there may be no quasineutral plasma presheath with an ambipolar diffusion of charged particles. The conditions for the onset of this presheath in a beam-produced plasma are determined

High magnetic field studies of the charge density wave state of the quasi-two-dimensional conductor KMO{sub 6}O{sub 17}

Energy Technology Data Exchange (ETDEWEB)

Dumas, Jean; Guyot, Herve; Balaska, Hafid; Marcus, Jacques; Vignolles, David; Sheikin, Ilya; Audouard, Alain; Brossard, Luc; Schlenker, Claire

2004-04-30

Magnetic torque and magnetoresistance measurements have been performed in high magnetic field on the quasi-two-dimensional charge density wave (CDW) oxide bronze KMo{sub 6}O{sub 17} . Several anomalies have been found below 28 T either on the torque or on the magnetoresistance data. They can be attributed predominantly to orbital effects. Magnetoresistance data obtained up to 55 T show that a transition takes place above 30 T. This transition may be due to the Pauli coupling. The new field-induced density wave state exhibits Shubnikov-de Haas (SdH) oscillations.

Cross sections for charge change in argon and equilibrium charge states of 3.5 MeV/amu uranium ions passing through argon and carbon targets

International Nuclear Information System (INIS)

Perumal, A.N.; Horvat, V.; Watson, R.L.; Peng, Y.; Fruchey, K.S.

2005-01-01

Cross sections for single and multiple electron capture and loss were measured for 3.5 MeV/amu uranium ions, traveling in argon gas, as a function of incident charge state. Multiple electron loss in single collisions was found to contribute significantly to the total loss cross section. The measured cross sections were used to determine the average equilibrium charge in argon by three different methods. The resulting charges were in good agreement with each other and with the effective charge calculated from stopping powers. In order to investigate the gas-solid (density) effect on the average equilibrium charge, the charge distributions of 3.5 MeV/amu uranium ions emerging from carbon foils of different thicknesses were measured. It was found that the average equilibrium charge of the uranium ions emerging from the solid is 41% larger than that of the uranium ions emerging from the gas. The energy dependences of the average equilibrium charges for uranium ions exiting carbon and argon targets were examined by combining the present results with previous results of other investigators and compared with the predictions of a semiempirical formula developed recently by Schiwietz and Grande

Determination of regression functions for the charging and discharging processes of valve regulated lead-acid batteries

Directory of Open Access Journals (Sweden)

Vukić Vladimir Đ.

2012-01-01

Full Text Available Following a deep discharge of AGM SVT 300 valve-regulated lead-acid batteries using the ten-hour discharge current, the batteries were charged using variable current. In accordance with the obtained results, exponential and polynomial functions for the approximation of the specified processes were analyzed. The main evaluation instrument for the quality of the implemented approximations was the adjusted coefficient of determination R-2. It was perceived that the battery discharge process might be successfully approximated with both an exponential and the second order polynomial function. On all the occasions analyzed, values of the adjusted coefficient of determination were greater than 0.995. The charging process of the deeply discharged batteries was successfully approximated with the exponential function; the measured values of the adjusted coefficient of determination being nearly 0.95. Apart from the high measured values of the adjusted coefficient of determination, polynomial approximations of the second and third order did not provide satisfactory results regarding the interpolation of the battery charging characteristics. A possibility for a practical implementation of the procured regression functions in uninterruptible power supply systems was described.

The clinical determination of absolute density in bone utilizing single and dual energy compton scattering

International Nuclear Information System (INIS)

Huddleston, A.L.; Weaver, J.

1980-01-01

Several methods important in the clinical diagnosis of skeletal diseases have been proposed for the determination of bone mass, such as photon absorptiometry, computed tomography, and neutron activation. None of these present methods provides for the determination of the physical density of bone. In the Radiological Physics Research Laboratory at the University of Virginia, the principles of Compton scattering are being investigated with the intent of determining the electron density and the physical density of human bone. A Compton-scatter densitometer has been constructed for the in vivo density determination of the femoral head. This technique utilizes of collimated low energy gamma source and detector system. The method has been tested in cadavers and in known density samples and has an accuracy of 2 %. A second densitometer has been designed for the in vivo determination of electron density of the vertebrae based upon a new technique which employs dual energy Compton scattering in the spinal column. These systems will be discussed; and the principles of dual energy Compton scatter densitometry will be presented. The importance of these isotope techniques and the feasibility of in vivo density determination in the vertebrae and femoral head will be discussed as they relate to clinical diagnosis and research. (author)

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

Magnetic fields produced by rotating symmetrical bodies with homogeneous surface charge density

International Nuclear Information System (INIS)

Espejel-Morales, R; Murguía-Romero, G; Calles, A; Cabrera-Bravo, E; Morán-López, J L

2016-01-01

We present a numerical calculation for the stationary magnetic field produced by different rotating bodies with homogeneous and constant surface charge density. The calculation is done by superposing the magnetic field produced by a set of loops of current which mimic the magnetic field produced by belts of current defined by slices of fixed width. We consider the cases of a sphere, ellipsoids, open and closed cylinders and a combination of these in a dumbbell -like shell. We also plot their magnetic field lines using a technique that make use of the Runge–Kutta fourth-order method. Up to our knowledge, the case of closed cylinders was not calculated before. In contrast to previous results, we find that the magnetic field inside finite hollow bodies is homogeneous only in the case of a sphere. This is consequence of the fact that, for the sphere, the surface of any slice taken perpendicularly to the rotation axis, depends only on its thickness, like in the case of an infinite cylinder. (paper)

Contrast and Raman spectroscopy study of single- and few-layered charge density wave material: 2H-TaSe2

Science.gov (United States)

Hajiyev, Parviz; Cong, Chunxiao; Qiu, Caiyu; Yu, Ting

2013-01-01

In this article, we report the first successful preparation of single- and few-layers of tantalum diselenide (2H-TaSe2) by mechanical exfoliation technique. Number of layers is confirmed by white light contrast spectroscopy and atomic force microscopy (AFM). Vibrational properties of the atomically thin layers of 2H-TaSe2 are characterized by micro-Raman spectroscopy. Room temperature Raman measurements demonstrate MoS2-like spectral features, which are reliable for thickness determination. E1g mode, usually forbidden in backscattering Raman configuration is observed in the supported TaSe2 layers while disappears in the suspended layers, suggesting that this mode may be enabled because of the symmetry breaking induced by the interaction with the substrate. A systematic in-situ low temperature Raman study, for the first time, reveals the existence of incommensurate charge density wave phase transition in single and double-layered 2H-TaSe2 as reflected by a sudden softening of the second-order broad Raman mode resulted from the strong electron-phonon coupling (Kohn anomaly). PMID:24005335

Cosmology of a charged universe

International Nuclear Information System (INIS)

Barnes, A.

1979-01-01

The Proca generalization of electrodynamics admits the possibility that the universe could possess a net electric charge uniformly distributed throughout space, while possessing no electric field. A charged intergalactic (and intragalactic) medium of this kind could contain enough energy to be of cosmological importance. A general-relativistic model of cosmological expansion dominated by such a charged background has been calculated, and is consistent with present observational limits on the Hubble constant, the decleration parameter, and the age of the universe. However, if this cosmology applied at the present epoch, the very early expansion of the universe would have been much more rapid than in conventional ''big bang'' cosmologies, too rapid for cosmological nucleosynthesis or thermalization of the background radiation to have occurred. Hence, domination of the present expansion by background charge appears to be incompatible with the 3 K background and big-bang production of light elements. If the present background charge density were sufficiently small (but not strictly zero), expansion from the epoch of nucleosynthesis would proceed according to the conventional scenario, but the energy due to the background charge would have dominated at some earlier epoch. This last possibility leads to equality of pressure and energy density in the primordial universe, a condition of special significance in certain cosmological theories

Two interesting cases in spatial charge movement

International Nuclear Information System (INIS)

Novellino, R.A.

1983-01-01

The relation between current and voltage in a dielectric under radiation is obtained, assuming only one carrier to be mobile, recombination and injection of the mobile charge from the electrode. For this last boundary condition a constant charge density at the electrode-dielectric interface was chosen. The other problem treated is a generalization of the classic transient problem studied by Many-Rakavy, using the constant charge density boundary condition. Analytic solutions were obtained during the first transit time and computed ones for larger times. Some attention was given to the damped current oscilations approaching the steady state value. (Author) [pt

Multi-frequency inversion-charge pumping for charge separation and mobility analysis in high-k/InGaAs metal-oxide-semiconductor field-effect transistors

Energy Technology Data Exchange (ETDEWEB)

Djara, V.; Cherkaoui, K.; Negara, M. A.; Hurley, P. K., E-mail: paul.hurley@tyndall.ie [Tyndall National Institute, University College Cork, Dyke Parade, Cork (Ireland)

2015-11-28

An alternative multi-frequency inversion-charge pumping (MFICP) technique was developed to directly separate the inversion charge density (N{sub inv}) from the trapped charge density in high-k/InGaAs metal-oxide-semiconductor field-effect transistors (MOSFETs). This approach relies on the fitting of the frequency response of border traps, obtained from inversion-charge pumping measurements performed over a wide range of frequencies at room temperature on a single MOSFET, using a modified charge trapping model. The obtained model yielded the capture time constant and density of border traps located at energy levels aligned with the InGaAs conduction band. Moreover, the combination of MFICP and pulsed I{sub d}-V{sub g} measurements enabled an accurate effective mobility vs N{sub inv} extraction and analysis. The data obtained using the MFICP approach are consistent with the most recent reports on high-k/InGaAs.

Charge carrier dynamics in thin film solar cells

Energy Technology Data Exchange (ETDEWEB)

Strothkaemper, Christian

2013-06-24

This work investigates the charge carrier dynamics in three different technological approaches within the class of thin film solar cells: radial heterojunctions, the dye solar cell, and microcrystalline CuInSe{sub 2}, focusing on charge transport and separation at the electrode, and the relaxation of photogenerated charge carriers due to recombination and energy dissipation to the phonon system. This work relies mostly on optical-pump terahertz-probe (OPTP) spectroscopy, followed by transient absorption (TA) and two-photon photoemission (2PPE). The charge separation in ZnO-electrode/In{sub 2}S{sub 3}-absorber core/shell nanorods, which represent a model system of a radial heterojunction, is analyzed by OPTP. It is concluded, that the dynamics in the absorber are determined by multiple trapping, which leads to a dispersive charge transport to the electrode that lasts over hundreds of picoseconds. The high trap density on the order of 10{sup 19}/cm{sup 3} is detrimental for the injection yield, which exhibits a decrease with increasing shell thickness. The heterogeneous electron transfer from a series of model dyes into ZnO proceeds on a time-scale of 200 fs. However, the photoconductivity builds up just on a 2-10 ps timescale, and 2PPE reveals that injected electrons are meanwhile localized spatially and energetically at the interface. It is concluded that the injection proceeds through adsorbate induced interface states. This is an important result because the back reaction from long lived interface states can be expected to be much faster than from bulk states. While the charge transport in stoichiometric CuInSe{sub 2} thin films is indicative of free charge carriers, CuInSe{sub 2} with a solar cell grade composition (Cu-poor) exhibits signs of carrier localization. This detrimental effect is attributed to a high density of charged defects and a high degree of compensation, which together create a spatially fluctuating potential that inhibits charge transport. On

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.

Electrostatic charges generated on aerosolisation of dispersions

International Nuclear Information System (INIS)

Wang, Yanyang

2001-01-01

by increasing the liquid delivery speed so that a jet is formed. The streaming current is monitored in this case. It is found that the streaming current is always negative for water and increases linearly in magnitude as flow rate increases. With salt solutions, the streaming current is negative at dilute solution, decreases in magnitude as the concentration of electrolytes increases and finally reverses the sign of streaming current at approximately 1 M - streaming current becomes positive. Then similar experiments are carried out with model propellant 2H, 3H-Decafluoropentane (HPFP). The streaming current is negative and firstly increases linearly, then increases dramatically and finally reaches another linear relationship with the flow rate. Furthermore the effects of pressure inside a can and concentration of salts on jet charge density are investigated using aqueous solutions and HPFP. It is shown that the magnitude of jet charge density increases as the can pressure increases and the charge sign changes from negative to positive as the salt concentration increases from 0.01M to 0.1M. Finally jet charge density of pure HFA134a, HFA227ea and their Formoterol formulations are examined. Similar experiments are carried out with pure HFAs and their respective Formoterol MDIs. The spray charge simulation experiments are carried out for both aqueous solutions and HPFP with standard plastic actuators at different pressures inside cans and different concentrations of salt solutions. It is shown that the charge sign also changes as the concentration increases from 10 -5 M to 1M, but the polarity is the opposite of the charge on the jet. It means that the actuator actually changes the charge polarity of the spray. The spray charge density on pure HFA 134a, HFA227ea and their Formoterol formulations MDIs with both aluminium and plastic actuators are investigated. Charge that occurs when liquid splashes against different materials is measured. The effects of air blow rate

Interfacial electronic charge transfer and density of states in short period Cu/Cr multilayers; TOPICAL

International Nuclear Information System (INIS)

Barbee, T W; Bello, A F; Klepeis, J E; Van Buuren, T

1999-01-01

Nanometer period metallic multilayers are ideal structures to investigate electronic phenomena at interfaces between metal films since interfacial atoms comprise a large atomic fraction of the samples. The Cu/Cr binary pair is especially suited to study the interfaces in metals since these elements are mutually insoluble, thus eliminating mixing effects and compound formation and the lattice mismatch is very small. This allows the fabrication of high structural quality Cu/Cr multilayers that have a structure which can be approximated in calculations based on idealized atomic arrangements. The electronic structure of the Cu and the Cr layers in several samples of thin Cu/Cr multilayers were studied using x-ray absorption spectroscopy (XAS). Total electron yield was measured and used to study the white lines at the Cu L(sub 2) and L(sub 3) absorption edges. The white lines at the Cu absorption edges are strongly related to the unoccupied d-orbitals and are used to calculate the amount of charge transfer between the Cr and Cu atoms in interfaces. Analysis of the Cu white lines show a charge transfer of 0.026 electrons/interfacial Cu atom to the interfacial Cr atoms. In the Cu XAS spectra we also observe a van Hove singularity between the L(sub 2) and L(sub 3) absorption edges as expected from the structural analysis. The absorption spectra are compared to partial density of states obtained from a full-potential linear muffin-tin orbital calculation. The calculations support the presence of charge transfer and indicate that it is localized to the first two interfacial layers in both Cu and Cr

Merely Measuring the UV-Visible Spectrum of Gold Nanoparticles Can Change Their Charge State.

Science.gov (United States)

Navarrete, Jose; Siefe, Chris; Alcantar, Samuel; Belt, Michael; Stucky, Galen D; Moskovits, Martin

2018-02-14

Metallic nanostructures exhibit a strong plasmon resonance at a wavelength whose value is sensitive to the charge density in the nanostructure, its size, shape, interparticle coupling, and the dielectric properties of its surrounding medium. Here we use UV-visible transmission and reflectance spectroscopy to track the shifts of the plasmon resonance in an array of gold nanoparticles buried under metal-oxide layers of varying thickness produced using atomic layer deposition (ALD) and then coated with bulk layers of one of three metals: aluminum, silver, or gold. A significant shift in the plasmon resonance was observed and a precise value of ω p , the plasmon frequency of the gold comprising the nanoparticles, was determined by modeling the composite of gold nanoparticles and metal-oxide layer as an optically homogeneous film of core-shell particles bounded by two substrates: one of quartz and the other being one of the aforementioned metals, then using a Maxwell-Garnett effective medium expression to extract ω p for the gold nanoparticles before and after coating with the bulk metals. Under illumination, the change in the charge density of the gold nanoparticles per particle determined from the change in the values of ω p is found to be some 50-fold greater than what traditional electrostatic contact electrification models compute based on the work function difference of the two conductive materials. Moreover, when using bulk gold as the capping layer, which should have resulted in a negligible charge exchange between the gold nanoparticles and the bulk gold, a significant charge transfer from the bulk gold layer to the nanoparticles was observed as with the other metals. We explain these observations in terms of the "plasmoelectric effect", recently described by Atwater and co-workers, in which the gold nanoparticles modify their charge density to allow their resonant wavelength to match that of the incident light, thereby achieving, a lower value of the

Density dependent hadron field theory

International Nuclear Information System (INIS)

Fuchs, C.; Lenske, H.; Wolter, H.H.

1995-01-01

A fully covariant approach to a density dependent hadron field theory is presented. The relation between in-medium NN interactions and field-theoretical meson-nucleon vertices is discussed. The medium dependence of nuclear interactions is described by a functional dependence of the meson-nucleon vertices on the baryon field operators. As a consequence, the Euler-Lagrange equations lead to baryon rearrangement self-energies which are not obtained when only a parametric dependence of the vertices on the density is assumed. It is shown that the approach is energy-momentum conserving and thermodynamically consistent. Solutions of the field equations are studied in the mean-field approximation. Descriptions of the medium dependence in terms of the baryon scalar and vector density are investigated. Applications to infinite nuclear matter and finite nuclei are discussed. Density dependent coupling constants obtained from Dirac-Brueckner calculations with the Bonn NN potentials are used. Results from Hartree calculations for energy spectra, binding energies, and charge density distributions of 16 O, 40,48 Ca, and 208 Pb are presented. Comparisons to data strongly support the importance of rearrangement in a relativistic density dependent field theory. Most striking is the simultaneous improvement of charge radii, charge densities, and binding energies. The results indicate the appearance of a new ''Coester line'' in the nuclear matter equation of state

The charge form factor, the quadrupole moment and the photodisintegration of 6Li

International Nuclear Information System (INIS)

Susila, S.; Srinivasa Rao, K.

1981-01-01

The root mean square radius, the charge form factor, the charge density, the quadrupole moment and the bremsstrahlung weighted cross section for the photodisintegration of 6 Li, are calculated using a polarised cluster model wave function, which is modified to take into account, in its relative motion part, the requirement of a shell model node. A set of parameters, in the modified cluster model wave function, which account for the available experimental data for the afore-said quantities, is determined. (author)

Particle density determination of pellets and briquettes

Energy Technology Data Exchange (ETDEWEB)

Rabier, Fabienne; Temmerman, Michaeel [Centre wallon de Recherches agronomiques, Departement de Genie rural, CRA-W, Chaussee de Namur, 146, B 5030 Gembloux (Belgium); Boehm, Thorsten; Hartmann, Hans [Technologie und Foerderzentrum fuer Nachwachsende Rohstoffe, TFZ, Schulgasse 18, D 94315 Straubing (Germany); Daugbjerg Jensen, Peter [Forest and Landscape, The Royal Veterinary and Agricultural University, Rolighedsvej 23, DK 1958 Frederiksberg C (Denmark); Rathbauer, Josef [Bundesanstalt fuer Landtechnik, BLT, Rottenhauer Strasse,1 A 3250 Wieselburg (Austria); Carrasco, Juan; Fernandez, Miguel [Centro de investigaciones Energeticas, Medioambientales y Tecnologicas, CIEMAT, Avenida Complutense, 22 E 28040 Madrid (Spain)

2006-11-15

Several methods and procedures for the determination of particle density of pellets and briquettes were tested and evaluated. Round robin trials were organized involving five European laboratories, which measured the particle densities of 15 pellet and five briquette types. The test included stereometric methods, methods based on liquid displacement (hydrostatic and buoyancy) applying different procedures and one method based on solid displacement. From the results for both pellets and briquettes, it became clear that the application of a method based on either liquid or solid displacement (only tested on pellet samples) leads to an improved reproducibility compared to a stereometric method. For both, pellets and briquettes, the variability of measurements strongly depends on the fuel type itself. For briquettes, the three methods tested based on liquid displacement lead to similar results. A coating of the samples with paraffin did not improve the repeatability and the reproducibility. Determinations with pellets proved to be most reliable when the buoyancy method was applied using a wetting agent to reduce surface tensions without sample coating. This method gave the best values for repeatability and reproducibility, thus less replications are required to reach a given accuracy level. For wood pellets, the method based on solid displacement gave better values of repeatability, however, this instrument was tested at only one laboratory. (author)

Weighted-density functional approach for the solid-liquid interfaces in electrolytes

International Nuclear Information System (INIS)

Cherepanova, T.A.; Stekolnikov, A.V.

1991-09-01

A weighted-density functional method is proposed to describe the atomic structure of the crystal-melt interface in electrolytes based on a charged-hard-sphere model of salt. The contribution of long-range Coulomb interaction is taken into account in the field formulation: the electrostatic field potential is determined from the Poisson equation. The ion density profiles and crystalline order parameter at the crystal-melt interface in the 1:1 symmetric electrolytes are calculated. The structurization of liquid near the solid surface is described. The results are compared to those for the neutral hard sphere system. The impurity distributions of extremely small concentrations are calculated both for the neutral and charged hard sphere systems. (author). 24 refs, 6 figs, 1 tab

Composite space charge density functions for the calculation of gamma sensitivity of self-powered neutron detectors, using Warren's model

Science.gov (United States)

Mahant, A. K.; Rao, P. S.; Misra, S. C.

1994-07-01

In the calculational model developed by Warren and Shah for the computation of the gamma sensitivity ( Sγ) it has been observed that the computed Sγ value is quite sensitive to the space charge distribution function assumed for the insulator region and the energy of the gamma photons. The Sγ of SPNDs with Pt, Co and V emitters (manufactured by Thermocoax, France) has been measured at 60Co photon energy and a good correlation between the measured and computed values has been obtained using a composite space charge density function (CSCD), the details of which are presented in this paper. The arguments are extended for evaluating the Sγ values of several SPNDs for which Warren and Shah reported the measured values for a prompt fission gamma spectrum obtained in a swimming pool reactor. These results are also discussed.

Poisson-Boltzmann theory of the charge-induced adsorption of semi-flexible polyelectrolytes.

Science.gov (United States)

Ubbink, Job; Khokhlov, Alexei R

2004-03-15

A model is suggested for the structure of an adsorbed layer of a highly charged semi-flexible polyelectrolyte on a weakly charged surface of opposite charge sign. The adsorbed phase is thin, owing to the effective reversal of the charge sign of the surface upon adsorption, and ordered, owing to the high surface density of polyelectrolyte strands caused by the generally strong binding between polyelectrolyte and surface. The Poisson-Boltzmann equation for the electrostatic interaction between the array of adsorbed polyelectrolytes and the charged surface is solved for a cylindrical geometry, both numerically, using a finite element method, and analytically within the weak curvature limit under the assumption of excess monovalent salt. For small separations, repulsive surface polarization and counterion osmotic pressure effects dominate over the electrostatic attraction and the resulting electrostatic interaction curve shows a minimum at nonzero separations on the Angstrom scale. The equilibrium density of the adsorbed phase is obtained by minimizing the total free energy under the condition of equality of chemical potential and osmotic pressure of the polyelectrolyte in solution and in the adsorbed phase. For a wide range of ionic conditions and charge densities of the charged surface, the interstrand separation as predicted by the Poisson-Boltzmann model and the analytical theory closely agree. For low to moderate charge densities of the adsorbing surface, the interstrand spacing decreases as a function of the charge density of the charged surface. Above about 0.1 M excess monovalent salt, it is only weakly dependent on the ionic strength. At high charge densities of the adsorbing surface, the interstrand spacing increases with increasing ionic strength, in line with the experiments by Fang and Yang [J. Phys. Chem. B 101, 441 (1997)]. (c) 2004 American Institute of Physics.

Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Kim, H J; Tomic, A T; Tessmer, S H; Billinge, S J.L. [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824 (United States); Malliakas, C D; Kanatzidis, M G [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States)

2006-06-09

The local structure of CeTe{sub 3} 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.

Monte Carlo studies of diamagnetism and charge density wave order in the cuprate pseudogap regime

Science.gov (United States)

Hayward Sierens, Lauren; Achkar, Andrew; Hawthorn, David; Melko, Roger; Sachdev, Subir

2015-03-01

The pseudogap regime of the hole-doped cuprate superconductors is often characterized experimentally in terms of a substantial diamagnetic response and, from another point of view, in terms of strong charge density wave (CDW) order. We introduce a dimensionless ratio, R, that incorporates both diamagnetic susceptibility and the correlation length of CDW order, and therefore reconciles these two fundamental characteristics of the pseudogap. We perform Monte Carlo simulations on a classical model that considers angular fluctuations of a six-dimensional order parameter, and compare our Monte Carlo results for R with existing data from torque magnetometry and x-ray scattering experiments on YBa2Cu3O6+x. We achieve qualitative agreement, and also propose future experiments to further investigate the behaviour of this dimensionless ratio.

Determining the Local Dark Matter Density with SDSS G-dwarf data

Science.gov (United States)

Silverwood, Hamish; Sivertsson, Sofia; Read, Justin; Bertone, Gianfranco; Steger, Pascal

2018-04-01

We present a determination of the local dark matter density derived using the integrated Jeans equation method presented in Silverwood et al. (2016) applied to SDSS-SEGUE G-dwarf data processed by Büdenbender et al. (2015). For our analysis we construct models for the tracer density, dark matter and baryon distribution, and tilt term (linking radial and vertical motions), and then calculate the vertical velocity dispersion using the integrated Jeans equation. These models are then fit to the data using MultiNest, and a posterior distribution for the local dark matter density is derived. We find the most reliable determination to come from the α-young population presented in Büdenbender et al. (2015), yielding a result of ρDM = 0.46+0.07 -0.09 GeV cm-3 = 0.012+0.001 -0.002 M⊙ pc-3. Our results also illuminate the path ahead for future analyses using Gaia DR2 data, highlighting which quantities will need to be determined and which assumptions could be relaxed.

Study by simulation the influence of temperature on the formation of space charge in the dielectric multilayer Under DC Electric stress

Directory of Open Access Journals (Sweden)

Y. A. Baadj

2017-06-01

Full Text Available Multidielectric polyethylene is a material that is generally employed as insulation for  the HVDC isolations. In this paper, the influence of temperature on space charge dynamics has been studied, low-density polyethylene (LDPE and Fluorinated Ethylene Propylene (FEP sandwiched between two electrodes were subjected to voltage application of 5kV (14.3 kV/mm for extended duration of time and the space charge measurements were taken using bipolar model is one-dimensional, taking into account trapping, detrapping and the rencommbinaison in order to determine the charge density and electric field of the sample depending on the thickness. The simulation was carried out at three different temperatures (20, 40,  and 60°C. The results of this model going to compare with experimental space charge measurements . Finally, simulation results demonstrated that the temperature has many effects on the dynamic space charge  and of influences the charge injection, charge mobility, electrical conduction, trapping and detrapping.

Determination of the electron beam irradiated area

International Nuclear Information System (INIS)

Zarbout, K.; Kallel, A.; Moya, G.

2005-01-01

The investigation of the charge trapping properties of non-conductive materials open the way to an understanding of the degradation of their characteristics due to ageing and catastrophic phenomena, such as breakdown, which originate from the rapid relaxation of trapped charges. The defects, in particular those introduced during the fabrication process, are responsible for the charging phenomena which limit the technological performances and the reliability of these materials. Several characterisation techniques have been developed and among them the one which uses the electron beam of the scanning Electron Microscope (SEM). The study of the charge trapping properties in non-conductive solids by using the electron beam of a SEM requires the knowledge of the current beam and injected charges densities. These densities depend on the irradiated sample area. For this reason, we report in this work two experimental procedures allowing a direct determination of the irradiated area size by the incident defocused beam. The first is based on the charging effect of oxide surfaces (SiO2, MgO, AL2O3) and the second is derived from the electron beam lithography technique. The latter procedure constitutes a convenient experimental method

Ambit determination method in estimating rice plant population density

Directory of Open Access Journals (Sweden)

Abu Bakar, B.,

2017-11-01

Full Text Available Rice plant population density is a key indicator in determining the crop setting and fertilizer application rate. It is therefore essential that the population density is monitored to ensure that a correct crop management decision is taken. The conventional method of determining plant population is by manually counting the total number of rice plant tillers in a 25 cm x 25 cm square frame. Sampling is done by randomly choosing several different locations within a plot to perform tiller counting. This sampling method is time consuming, labour intensive and costly. An alternative fast estimating method was developed to overcome this issue. The method relies on measuring the outer circumference or ambit of the contained rice plants in a 25 cm x 25 cm square frame to determine the number of tillers within that square frame. Data samples of rice variety MR219 were collected from rice plots in the Muda granary area, Sungai Limau Dalam, Kedah. The data were taken at 50 days and 70 days after seeding (DAS. A total of 100 data samples were collected for each sampling day. A good correlation was obtained for the variety of 50 DAS and 70 DAS. The model was then verified by taking 100 samples with the latching strap for 50 DAS and 70 DAS. As a result, this technique can be used as a fast, economical and practical alternative to manual tiller counting. The technique can potentially be used in the development of an electronic sensing system to estimate paddy plant population density.

Determination of dislocation density in Zr-2.5Nb pressure tubes by x-ray

Energy Technology Data Exchange (ETDEWEB)

Kim, Young Suk; Isaenkova, Perlovich; Cheong, Y. M.; Kim, S. S.; Yim, K. S.; Kwon, Sang Chul

2000-11-01

For X-ray determination of the dislocation density in CANDU Zr-2.5%Nb pressure tubes, a program was developed, using the Fourier analysis of X-ray line profiles and calculation of dislocation density by values of the coherent block size and the lattice distortion. The coincidence of obtained values of c- and a-dislocations with those, determined by the X-ray method for the same tube in AECL, was assumed to be the main criterion of validity of the developed program. The final variant of the program allowed to attain a rather close coincidence of calculated dislocation densities with results of AECL. The dislocation density was determined in all the zirconium grains with different orientations based on the texture of the stree-relieved CANDU tube. The complete distribution of c-dislocation density in -Zr grains depecding on their crystallographic orientations was constructed. The distribution of a-dislocation density within the texture maximum at L-direction, containing prismatic axes of all grains, was constructed as well. The analysis of obtained distributions testifies that -Zr grains of the stree-relieved CANDU tube significantly differ in their dislocation densities. Plotted diagrams of correlation between the dislocation density and the pole density allow to estimate the actual connection between texture and dislocation distribution in the studied tube. The distributions of volume fractions of all the zirconium grains depending on their dislocation density were calculated both for c- and a-dislocations. The distributions characterizes quantitatively the inhomogeneity of substructure conditions in the stress-relieved CANDU tube. the optimal procedure for determination of Nb content in {beta}-phases of CANDU Zr-2.5%Nb pressure tubes was also established.

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