On calculation of the electrostatic potential of a phosphatidylinositol phosphate-containing phosphatidylcholine lipid membrane accounting for membrane dynamics.

Directory of Open Access Journals (Sweden)

Jonathan C Fuller

Full Text Available Many signaling events require the binding of cytoplasmic proteins to cell membranes by recognition of specific charged lipids, such as phosphoinositol-phosphates. As a model for a protein-membrane binding site, we consider one charged phosphoinositol phosphate (PtdIns(3P embedded in a phosphatidylcholine bilayer. As the protein-membrane binding is driven by electrostatic interactions, continuum solvent models require an accurate representation of the electrostatic potential of the phosphoinositol phosphate-containing membrane. We computed and analyzed the electrostatic potentials of snapshots taken at regular intervals from molecular dynamics simulations of the bilayer. We observe considerable variation in the electrostatic potential of the bilayer both along a single simulation and between simulations performed with the GAFF or CHARMM c36 force fields. However, we find that the choice of GAFF or CHARMM c36 parameters has little effect on the electrostatic potential of a given configuration of the bilayer with a PtdIns(3P embedded in it. From our results, we propose a remedian averaging method for calculating the electrostatic potential of a membrane system that is suitable for simulations of protein-membrane binding with a continuum solvent model.

Potential well formation in electrostatic confinement devices. Technical progress report

International Nuclear Information System (INIS)

Cherrington, B.E.; Verdeyen, J.T.

1975-01-01

A large (2' diameter) spherical electrostatic confinement device has been constructed to test the feasibility of using inertial electrostatic forces to confine energetic plasmas capable of sustaining fusion reactions. Electron injection under high vacuum has produced negative wells that completely depress the potential in the center and approach the classical Langmuir virtual cathode. Electron injection into low pressure deuterium reproduces our previous results of an ion rich region within the negative well. Additional theoretical studies incorporating electrons with very narrow angular momentum (corresponding to trapped electrons in the center) has shown that an additional electron rich region (or ion rich if the polarities are reversed) can be produced within the ion rich region for presumably realistic ranges of parameters

Effects of the positioning force of electrostatic levitators on viscosity measurements

International Nuclear Information System (INIS)

Ishikawa, Takehiko; Paradis, Paul-Francois; Koike, Noriyuki; Watanabe, Yuki

2009-01-01

Electrostatic levitators use strong electric fields to levitate and accurately position a sample against gravity. In this study, the effects of the electric field are investigated with regard to viscosity measurements conducted with the oscillating drop method. The effects of the external field on viscosity measurements are experimentally confirmed by changing the sample size. Moreover, a numerical simulation based on a simple mass-spring-damper system can reproduce the experimental observations. Based on the above results, measurement procedures are improved. These help to minimize the effect of the positioning force and to increase the accuracy of the viscosity measurements.

Electrostatic Charge on Flying Hummingbirds and Its Potential Role in Pollination.

Science.gov (United States)

Badger, Marc; Ortega-Jimenez, Victor Manuel; von Rabenau, Lisa; Smiley, Ashley; Dudley, Robert

2015-01-01

Electrostatic phenomena are known to enhance both wind- and insect-mediated pollination, but have not yet been described for nectar-feeding vertebrates. Here we demonstrate that wild Anna's Hummingbirds (Calypte anna) can carry positive charges up to 800 pC while in flight (mean ± s.d.: 66 ± 129 pC). Triboelectric charging obtained by rubbing an isolated hummingbird wing against various plant structures generated charges up to 700 pC. A metal hummingbird model charged to 400 pC induced bending of floral stamens in four plants (Nicotiana, Hemerocallis, Penstemon, and Aloe spp.), and also attracted falling Lycopodium spores at distances of < 2 mm. Electrostatic forces may therefore influence pollen transfer onto nectar-feeding birds.

Study on the electrostatic and piezoelectric properties of positive polypropylene electret cyclosporine A patch

International Nuclear Information System (INIS)

Guo, X; Liang, Y Y; Jiang, J; Liu, H Y; Cui, L L

2013-01-01

Corona charged electrets at voltages of +500 V, +1000 V and +1500 V were prepared for manufacturing polypropylene (PP) electret blank patches and PP electret drug patches. The stability of external electrostatic field of the electret patch and the polarization of the drug in patch under the internal electrostatic field of the electret were studied. The results indicate that all the electret drug patches had good charge storage stabilities. However, the non-electrode coated electret drug patch had better stability in the external electrostatic field than that of the electrode coated electret drug patch. The higher the charging voltage of the electret, the faster the surface potential of the electret drug patch decayed, and the worse the stability of the external electrostatic field. All the electrets used in this study could result in the polarization of the model drug in patch. The piezoelectric properties of non-electrode coated electret drug patch increased with the charging voltage of the electret. However, excessively higher charging voltage could result in the decreased polarization of the drug in patch. Both the stability of the external electrostatic field of electret and the polarization of drug were the key factors for controlled drug release and skin permeation.

DNA minor groove electrostatic potential: influence of sequence-specific transitions of the torsion angle gamma and deoxyribose conformations.

Science.gov (United States)

Zhitnikova, M Y; Shestopalova, A V

2017-11-01

The structural adjustments of the sugar-phosphate DNA backbone (switching of the γ angle (O5'-C5'-C4'-C3') from canonical to alternative conformations and/or C2'-endo → C3'-endo transition of deoxyribose) lead to the sequence-specific changes in accessible surface area of both polar and non-polar atoms of the grooves and the polar/hydrophobic profile of the latter ones. The distribution of the minor groove electrostatic potential is likely to be changing as a result of such conformational rearrangements in sugar-phosphate DNA backbone. Our analysis of the crystal structures of the short free DNA fragments and calculation of their electrostatic potentials allowed us to determine: (1) the number of classical and alternative γ angle conformations in the free B-DNA; (2) changes in the minor groove electrostatic potential, depending on the conformation of the sugar-phosphate DNA backbone; (3) the effect of the DNA sequence on the minor groove electrostatic potential. We have demonstrated that the structural adjustments of the DNA double helix (the conformations of the sugar-phosphate backbone and the minor groove dimensions) induce changes in the distribution of the minor groove electrostatic potential and are sequence-specific. Therefore, these features of the minor groove sizes and distribution of minor groove electrostatic potential can be used as a signal for recognition of the target DNA sequence by protein in the implementation of the indirect readout mechanism.

Electrostatic potential of human immunodeficiency virus type 2 and rhesus macaque simian immunodeficiency virus capsid proteins

Directory of Open Access Journals (Sweden)

Katarzyna eBozek

2012-06-01

Full Text Available Human immunodeficiency virus type 2 (HIV-2 and simian immunodeficiency virus isolated from a macaque monkey (SIVmac are assumed to have originated from simian immunodeficiency virus isolated from sooty mangabey (SIVsm. Despite their close similarity in genome structure, HIV-2 and SIVmac show different sensitivities to TRIM5α, a host restriction factor against retroviruses. The replication of HIV-2 strains is potently restricted by rhesus (Rh monkey TRIM5α, while that of SIVmac strain 239 (SIVmac239 is not. Viral capsid protein is the determinant of this differential sensitivity to TRIM5α, as the HIV-2 mutant carrying SIVmac239 capsid protein evaded Rh TRIM5α-mediated restriction. However, the molecular determinants of this restriction mechanism are unknown. Electrostatic potential on the protein-binding site is one of the properties regulating protein-protein interactions. In this study, we investigated the electrostatic potential on the interaction surface of capsid protein of HIV-2 strain GH123 and SIVmac239. Although HIV-2 GH123 and SIVmac239 capsid proteins share more than 87% amino acid identity, we observed a large difference between the two molecules with the HIV-2 GH123 molecule having predominantly positive and SIVmac239 predominantly negative electrostatic potential on the surface of the loop between α-helices 4 and 5 (L4/5. As L4/5 is one of the major determinants of Rh TRIM5α sensitivity of these viruses, the present results suggest that the binding site of the Rh TRIM5α may show complementarity to the HIV-2 GH123 capsid surface charge distribution.

On stochastic heating of electrons by intense laser radiation in the presence of electrostatic potential well

International Nuclear Information System (INIS)

Krasheninnikov, S. I.

2014-01-01

A simple model developed by Paradkar et al. [Phys. Plasmas 19, 060703 (2012)] for the study of synergistic effects of electrostatic potential well and laser radiation is extended for the case where electric field of the well is accelerating electrons moving in the direction of the laser field propagation. It was found that in these cases, the rate of stochastic heating of energetic electrons remains virtually the same as in Paradkar et al. [Phys. Plasmas 19, 060703 (2012)], where electric field in electrostatic potential was slowing down electrons moving in the direction of the laser field propagation. However, the heating of electrons with relatively low energy can be sensitive to the orientation of the electrostatic potential well with respect to the direction of the laser radiation propagation

Electrostatic Charge on Flying Hummingbirds and Its Potential Role in Pollination.

Directory of Open Access Journals (Sweden)

Marc Badger

Full Text Available Electrostatic phenomena are known to enhance both wind- and insect-mediated pollination, but have not yet been described for nectar-feeding vertebrates. Here we demonstrate that wild Anna's Hummingbirds (Calypte anna can carry positive charges up to 800 pC while in flight (mean ± s.d.: 66 ± 129 pC. Triboelectric charging obtained by rubbing an isolated hummingbird wing against various plant structures generated charges up to 700 pC. A metal hummingbird model charged to 400 pC induced bending of floral stamens in four plants (Nicotiana, Hemerocallis, Penstemon, and Aloe spp., and also attracted falling Lycopodium spores at distances of < 2 mm. Electrostatic forces may therefore influence pollen transfer onto nectar-feeding birds.

Design, test, and calibration of an electrostatic beam position monitor

Directory of Open Access Journals (Sweden)

Maurice Cohen-Solal

2010-03-01

Full Text Available The low beta of proton or ion beams favors an electrostatic pickup to measure the transverse beam centroid position. Often papers on beam position monitors (BPM are focused on a particular aspect of the problem; however, it is important to consider all various issues of a position measurement system. Based on our experience at the IPHI (high intensity injector proton facility at CEA-Saclay, this paper will address all aspects to design, test, and calibrate a BPM for proton linear accelerators, while emphasizing the determination of the absolute beam position. We present details of the readout electronics, and describe the calibration of the BPM using a test station. For calculation and simulation of the electrical signals we developed a Mathematica script. The error analysis presented, on the basis of six BPMs installed in the high energy section of IPHI, demonstrates the expected accuracy of the position measurement. These studies also identify the parameters that could improve the performance of the beam position control. The experience from these developments is currently being used for the BPM design and test stand dedicated to the Spiral2 accelerator at Ganil-Caen which will deliver heavy ion beams.

Design, test, and calibration of an electrostatic beam position monitor

Science.gov (United States)

Cohen-Solal, Maurice

2010-03-01

The low beta of proton or ion beams favors an electrostatic pickup to measure the transverse beam centroid position. Often papers on beam position monitors (BPM) are focused on a particular aspect of the problem; however, it is important to consider all various issues of a position measurement system. Based on our experience at the IPHI (high intensity injector proton) facility at CEA-Saclay, this paper will address all aspects to design, test, and calibrate a BPM for proton linear accelerators, while emphasizing the determination of the absolute beam position. We present details of the readout electronics, and describe the calibration of the BPM using a test station. For calculation and simulation of the electrical signals we developed a Mathematica script. The error analysis presented, on the basis of six BPMs installed in the high energy section of IPHI, demonstrates the expected accuracy of the position measurement. These studies also identify the parameters that could improve the performance of the beam position control. The experience from these developments is currently being used for the BPM design and test stand dedicated to the Spiral2 accelerator at Ganil-Caen which will deliver heavy ion beams.

Probing lipid membrane electrostatics

Science.gov (United States)

Yang, Yi

The electrostatic properties of lipid bilayer membranes play a significant role in many biological processes. Atomic force microscopy (AFM) is highly sensitive to membrane surface potential in electrolyte solutions. With fully characterized probe tips, AFM can perform quantitative electrostatic analysis of lipid membranes. Electrostatic interactions between Silicon nitride probes and supported zwitterionic dioleoylphosphatidylcholine (DOPC) bilayer with a variable fraction of anionic dioleoylphosphatidylserine (DOPS) were measured by AFM. Classical Gouy-Chapman theory was used to model the membrane electrostatics. The nonlinear Poisson-Boltzmann equation was numerically solved with finite element method to provide the potential distribution around the AFM tips. Theoretical tip-sample electrostatic interactions were calculated with the surface integral of both Maxwell and osmotic stress tensors on tip surface. The measured forces were interpreted with theoretical forces and the resulting surface charge densities of the membrane surfaces were in quantitative agreement with the Gouy-Chapman-Stern model of membrane charge regulation. It was demonstrated that the AFM can quantitatively detect membrane surface potential at a separation of several screening lengths, and that the AFM probe only perturbs the membrane surface potential by external field created by the internai membrane dipole moment. The analysis yields a dipole moment of 1.5 Debye per lipid with a dipole potential of +275 mV for supported DOPC membranes. This new ability to quantitatively measure the membrane dipole density in a noninvasive manner will be useful in identifying the biological effects of the dipole potential. Finally, heterogeneous model membranes were studied with fluid electric force microscopy (FEFM). Electrostatic mapping was demonstrated with 50 nm resolution. The capabilities of quantitative electrostatic measurement and lateral charge density mapping make AFM a unique and powerful

Grid-based lattice summation of electrostatic potentials by assembled rank-structured tensor approximation

Science.gov (United States)

Khoromskaia, Venera; Khoromskij, Boris N.

2014-12-01

Our recent method for low-rank tensor representation of sums of the arbitrarily positioned electrostatic potentials discretized on a 3D Cartesian grid reduces the 3D tensor summation to operations involving only 1D vectors however retaining the linear complexity scaling in the number of potentials. Here, we introduce and study a novel tensor approach for fast and accurate assembled summation of a large number of lattice-allocated potentials represented on 3D N × N × N grid with the computational requirements only weakly dependent on the number of summed potentials. It is based on the assembled low-rank canonical tensor representations of the collected potentials using pointwise sums of shifted canonical vectors representing the single generating function, say the Newton kernel. For a sum of electrostatic potentials over L × L × L lattice embedded in a box the required storage scales linearly in the 1D grid-size, O(N) , while the numerical cost is estimated by O(NL) . For periodic boundary conditions, the storage demand remains proportional to the 1D grid-size of a unit cell, n = N / L, while the numerical cost reduces to O(N) , that outperforms the FFT-based Ewald-type summation algorithms of complexity O(N3 log N) . The complexity in the grid parameter N can be reduced even to the logarithmic scale O(log N) by using data-sparse representation of canonical N-vectors via the quantics tensor approximation. For justification, we prove an upper bound on the quantics ranks for the canonical vectors in the overall lattice sum. The presented approach is beneficial in applications which require further functional calculus with the lattice potential, say, scalar product with a function, integration or differentiation, which can be performed easily in tensor arithmetics on large 3D grids with 1D cost. Numerical tests illustrate the performance of the tensor summation method and confirm the estimated bounds on the tensor ranks.

Atom-partitioned multipole expansions for electrostatic potential boundary conditions

Energy Technology Data Exchange (ETDEWEB)

Lee, M., E-mail: michael.s.lee131.civ@mail.mil [Simulation Sciences Branch, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States); Leiter, K. [Simulation Sciences Branch, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States); Eisner, C. [Secure Mission Solutions, a Parsons Company (United States); Simulation Sciences Branch, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States); Knap, J. [Simulation Sciences Branch, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States)

2017-01-01

Applications such as grid-based real-space density functional theory (DFT) use the Poisson equation to compute electrostatics. However, the expected long tail of the electrostatic potential requires either the use of a large and costly outer domain or Dirichlet boundary conditions estimated via multipole expansion. We find that the oft-used single-center spherical multipole expansion is only appropriate for isotropic mesh domains such as spheres and cubes. In this work, we introduce a method suitable for high aspect ratio meshes whereby the charge density is partitioned into atomic domains and multipoles are computed for each domain. While this approach is moderately more expensive than a single-center expansion, it is numerically stable and still a small fraction of the overall cost of a DFT calculation. The net result is that when high aspect ratio systems are being studied, form-fitted meshes can now be used in lieu of cubic meshes to gain computational speedup.

Finite element simulations of electrostatic dopant potentials in thin semiconductor specimens for electron holography

Energy Technology Data Exchange (ETDEWEB)

Somodi, P.K.; Twitchett-Harrison, A.C.; Midgley, P.A. [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge CB2 3QZ (United Kingdom); Kardynał, B.E. [Peter Grünberg Institute 9, Forschungszentrum Jülich, D-52425 Jülich (Germany); Barnes, C.H.W. [Department of Physics, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Dunin-Borkowski, R.E., E-mail: rafaldb@gmail.com [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute 5, Forschungszentrum Jülich, D-52425 Jülich (Germany)

2013-11-15

Two-dimensional finite element simulations of electrostatic dopant potentials in parallel-sided semiconductor specimens that contain p–n junctions are used to assess the effect of the electrical state of the surface of a thin specimen on projected potentials measured using off-axis electron holography in the transmission electron microscope. For a specimen that is constrained to have an equipotential surface, the simulations show that the step in the projected potential across a p–n junction is always lower than would be predicted from the properties of the bulk device, but is relatively insensitive to the value of the surface state energy, especially for thicker specimens and higher dopant concentrations. The depletion width measured from the projected potential, however, has a complicated dependence on specimen thickness. The results of the simulations are of broader interest for understanding the influence of surfaces and interfaces on electrostatic potentials in nanoscale semiconductor devices. - Highlights: • Finite element simulations are performed to calculate electrostatic dopant potentials in TEM specimens that contain p–n junctions. • The effect of the electrical state of the specimen surface on the projected potential is assessed for equipotential specimen surfaces. • The step in projected potential is always found to be lower than the step in potential in the bulk device. • The step in projected potential is least sensitive to surface state energy for thicker specimens and higher dopant concentrations. • The depletion width measured from the projected potential has a complicated dependence on specimen thickness.

Finite element simulations of electrostatic dopant potentials in thin semiconductor specimens for electron holography

International Nuclear Information System (INIS)

Somodi, P.K.; Twitchett-Harrison, A.C.; Midgley, P.A.; Kardynał, B.E.; Barnes, C.H.W.; Dunin-Borkowski, R.E.

2013-01-01

Two-dimensional finite element simulations of electrostatic dopant potentials in parallel-sided semiconductor specimens that contain p–n junctions are used to assess the effect of the electrical state of the surface of a thin specimen on projected potentials measured using off-axis electron holography in the transmission electron microscope. For a specimen that is constrained to have an equipotential surface, the simulations show that the step in the projected potential across a p–n junction is always lower than would be predicted from the properties of the bulk device, but is relatively insensitive to the value of the surface state energy, especially for thicker specimens and higher dopant concentrations. The depletion width measured from the projected potential, however, has a complicated dependence on specimen thickness. The results of the simulations are of broader interest for understanding the influence of surfaces and interfaces on electrostatic potentials in nanoscale semiconductor devices. - Highlights: • Finite element simulations are performed to calculate electrostatic dopant potentials in TEM specimens that contain p–n junctions. • The effect of the electrical state of the specimen surface on the projected potential is assessed for equipotential specimen surfaces. • The step in projected potential is always found to be lower than the step in potential in the bulk device. • The step in projected potential is least sensitive to surface state energy for thicker specimens and higher dopant concentrations. • The depletion width measured from the projected potential has a complicated dependence on specimen thickness

Prediction of Reduction Potentials of Copper Proteins with Continuum Electrostatics and Density Functional Theory.

Science.gov (United States)

Fowler, Nicholas J; Blanford, Christopher F; Warwicker, Jim; de Visser, Sam P

2017-11-02

Blue copper proteins, such as azurin, show dramatic changes in Cu 2+ /Cu + reduction potential upon mutation over the full physiological range. Hence, they have important functions in electron transfer and oxidation chemistry and have applications in industrial biotechnology. The details of what determines these reduction potential changes upon mutation are still unclear. Moreover, it has been difficult to model and predict the reduction potential of azurin mutants and currently no unique procedure or workflow pattern exists. Furthermore, high-level computational methods can be accurate but are too time consuming for practical use. In this work, a novel approach for calculating reduction potentials of azurin mutants is shown, based on a combination of continuum electrostatics, density functional theory and empirical hydrophobicity factors. Our method accurately reproduces experimental reduction potential changes of 30 mutants with respect to wildtype within experimental error and highlights the factors contributing to the reduction potential change. Finally, reduction potentials are predicted for a series of 124 new mutants that have not yet been investigated experimentally. Several mutants are identified that are located well over 10 Å from the copper center that change the reduction potential by more than 85 mV. The work shows that secondary coordination sphere mutations mostly lead to long-range electrostatic changes and hence can be modeled accurately with continuum electrostatics. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Electrostatics in Chemistry

Indian Academy of Sciences (India)

characteristics and applications of the electrostatic potential of many-electron atoms, ions and molecules are discussed. Electrostatic Potential of Atoms and Singly. Charged ..... [6] R K Pathak and S R Gadre,J. Chat. Phys., 93, 1770, 1990. [7] S R Gadre, S A Kalkarni and I H Shrivastava,J. Chern. Phys., 96,52;3,. 1992. ~ .1.

Real-Time Hand Position Sensing Technology Based on Human Body Electrostatics

Directory of Open Access Journals (Sweden)

Kai Tang

2018-05-01

Full Text Available Non-contact human-computer interactions (HCI based on hand gestures have been widely investigated. Here, we present a novel method to locate the real-time position of the hand using the electrostatics of the human body. This method has many advantages, including a delay of less than one millisecond, low cost, and does not require a camera or wearable devices. A formula is first created to sense array signals with five spherical electrodes. Next, a solving algorithm for the real-time measured hand position is introduced and solving equations for three-dimensional coordinates of hand position are obtained. A non-contact real-time hand position sensing system was established to perform verification experiments, and the principle error of the algorithm and the systematic noise were also analyzed. The results show that this novel technology can determine the dynamic parameters of hand movements with good robustness to meet the requirements of complicated HCI.

Effect of the Curved Spacetime on the Electrostatic Potential Energy Distribution of Strange Stars

Institute of Scientific and Technical Information of China (English)

陈次星; 张家铝

2001-01-01

The effect of the strong gravitational field of the strange core of a strange star on its surface electrostatic potential energy distribution is discussed. We present the general-relativistic hydrodynamics equations of fluids in the presence of the electric fields and investigate the surface electrostatic potential distribution of the strange core of a strange star in hydrostatic equilibrium to correct Alcock and coworker's result [Astrophys. J. 310 (1986) 261]. Also, we discuss the temperature distribution of the bare strange star surface and give the related formulae, which may be useful if we are concerned further about the physical processes near the quark atter surfaces of strange stars.

Noncontact measurement of electrostatic fields: Verification of modeled potentials within ion mobility spectrometer drift tube designs

International Nuclear Information System (INIS)

Scott, Jill R.; Tremblay, Paul L.

2007-01-01

The heart of an ion mobility spectrometer is the drift region where ion separation occurs. While the electrostatic potentials within a drift tube design can be modeled, no method for independently validating the electrostatic field has previously been reported. Two basic drift tube designs were modeled using SIMION 7.0 to reveal the expected electrostatic fields: (1) A traditional alternating set of electrodes and insulators and (2) a truly linear drift tube. One version of the alternating electrode/insulator drift tube and two versions of linear drift tubes were then fabricated. The stacked alternating electrodes/insulators were connected through a resistor network to generate the electrostatic gradient in the drift tube. The two linear drift tube designs consisted of two types of resistive drift tubes with one tube consisting of a resistive coating within an insulating tube and the other tube composed of resistive ferrites. The electrostatic fields within each type of drift tube were then evaluated by a noncontact method using a Kelvin-Zisman type electrostatic voltmeter and probe (results for alternative measurement methods provided in supplementary material). The experimental results were then compared with the electrostatic fields predicted by SIMION. Both the modeling and experimental measurements reveal that the electrostatic fields within a stacked ion mobility spectrometer drift tube are only pseudo-linear, while the electrostatic fields within a resistive drift tube approach perfect linearity

Electrostatics in Chemistry

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 7. Electrostatics in Chemistry - Molecular Electrostatic Potential: Visualization and Topography. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 7 July 1999 pp 14-23 ...

Finite element simulations of electrostatic dopant potentials in thin semiconductor specimens for electron holography.

Science.gov (United States)

Somodi, P K; Twitchett-Harrison, A C; Midgley, P A; Kardynał, B E; Barnes, C H W; Dunin-Borkowski, R E

2013-11-01

Two-dimensional finite element simulations of electrostatic dopant potentials in parallel-sided semiconductor specimens that contain p-n junctions are used to assess the effect of the electrical state of the surface of a thin specimen on projected potentials measured using off-axis electron holography in the transmission electron microscope. For a specimen that is constrained to have an equipotential surface, the simulations show that the step in the projected potential across a p-n junction is always lower than would be predicted from the properties of the bulk device, but is relatively insensitive to the value of the surface state energy, especially for thicker specimens and higher dopant concentrations. The depletion width measured from the projected potential, however, has a complicated dependence on specimen thickness. The results of the simulations are of broader interest for understanding the influence of surfaces and interfaces on electrostatic potentials in nanoscale semiconductor devices. © 2013 Elsevier B.V. All rights reserved.

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

Science.gov (United States)

Yigit, Cemil; Heyda, Jan; Dzubiella, Joachim

2015-08-14

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

PCE: web tools to compute protein continuum electrostatics

Science.gov (United States)

Miteva, Maria A.; Tufféry, Pierre; Villoutreix, Bruno O.

2005-01-01

PCE (protein continuum electrostatics) is an online service for protein electrostatic computations presently based on the MEAD (macroscopic electrostatics with atomic detail) package initially developed by D. Bashford [(2004) Front Biosci., 9, 1082–1099]. This computer method uses a macroscopic electrostatic model for the calculation of protein electrostatic properties, such as pKa values of titratable groups and electrostatic potentials. The MEAD package generates electrostatic energies via finite difference solution to the Poisson–Boltzmann equation. Users submit a PDB file and PCE returns potentials and pKa values as well as color (static or animated) figures displaying electrostatic potentials mapped on the molecular surface. This service is intended to facilitate electrostatics analyses of proteins and thereby broaden the accessibility to continuum electrostatics to the biological community. PCE can be accessed at . PMID:15980492

Electrostatic field of the large fragment of Escherichia coli DNA polymerase I.

Science.gov (United States)

Warwicker, J; Ollis, D; Richards, F M; Steitz, T A

1985-12-05

The electrostatic field of the large fragment of Escherichia coli DNA polymerase I (Klenow fragment) has been calculated by the finite difference procedure on a 2 A grid. The potential field is substantially negative at physiological pH (reflecting the net negative charge at this pH). The largest regions of positive potential are in the deep crevice of the C-terminal domain, which is the proposed binding site for the DNA substrate. Within the crevice, the electrostatic potential has a partly helical form. If the DNA is positioned to fulfil stereochemical requirements, then the positive potential generally follows the major groove and (to a lesser extent) the negative potential is in the minor groove. Such an arrangement could stabilize DNA configurations related by screw symmetry. The histidine residues of the Klenow fragment give the positive field of the groove a sensitivity to relatively small pH changes around neutrality. We suggest that the histidine residues could change their ionization states in response to DNA binding, and that this effect could contribute to the protein-DNA binding energy.

Electrostatic and electromagnetic instabilities associated with electrostatic shocks: Two-dimensional particle-in-cell simulation

International Nuclear Information System (INIS)

Kato, Tsunehiko N.; Takabe, Hideaki

2010-01-01

A two-dimensional electromagnetic particle-in-cell simulation with the realistic ion-to-electron mass ratio of 1836 is carried out to investigate the electrostatic collisionless shocks in relatively high-speed (∼3000 km s -1 ) plasma flows and also the influence of both electrostatic and electromagnetic instabilities, which can develop around the shocks, on the shock dynamics. It is shown that the electrostatic ion-ion instability can develop in front of the shocks, where the plasma is under counterstreaming condition, with highly oblique wave vectors as was shown previously. The electrostatic potential generated by the electrostatic ion-ion instability propagating obliquely to the shock surface becomes comparable with the shock potential and finally the shock structure is destroyed. It is also shown that in front of the shock the beam-Weibel instability gradually grows as well, consequently suggesting that the magnetic field generated by the beam-Weibel instability becomes important in long-term evolution of the shock and the Weibel-mediated shock forms long after the electrostatic shock vanished. It is also observed that the secondary electrostatic shock forms in the reflected ions in front of the primary electrostatic shock.

Towards automated electron holographic tomography for 3D mapping of electrostatic potentials

Energy Technology Data Exchange (ETDEWEB)

Wolf, Daniel, E-mail: Daniel.Wolf@Triebenberg.de [Triebenberg Laboratory, Institute of Structure Physics, Technische Universitaet Dresden, 01062 Dresden (Germany); Lubk, Axel; Lichte, Hannes [Triebenberg Laboratory, Institute of Structure Physics, Technische Universitaet Dresden, 01062 Dresden (Germany); Friedrich, Heiner [Inorganic Chemistry and Catalysis, Debye Institute for Nanomaterials Science, Utrecht University, Sorbonnelaan 16, 3584 CA, Utrecht (Netherlands)

2010-04-15

Electron-holographic tomography (EHT), that is, the combination of off-axis electron holography with electron tomography, was successfully applied for the quantitative 3D mapping of electrostatic potentials at the nanoscale. Here we present the first software package (THOMAS) for semi-automated acquisition of holographic tilt series, a prerequisite for efficient data collection. Using THOMAS, the acquisition time for a holographic tilt series, consisting of object and reference holograms, is reduced by a factor of five on average, compared to the previous, completely manual approaches. Moreover, the existing software packages for retrieving amplitude and phase information from electron holograms have been extended, now including a one-step procedure for holographic tilt series reconstruction. Furthermore, a modified SIRT algorithm (WSIRT) was implemented for the quantitative 3D reconstruction of the electrostatic potential from the aligned phase tilt series. Finally, the application of EHT to a polystyrene latex sphere test-specimen and a pn-doped Ge 'needle'-shaped specimen are presented, illustrating the quantitative character of EHT. For both specimens the mean inner potential (MIP) values were accurately determined from the reconstructed 3D potential. For the Ge specimen, additionally the 'built-in' voltage across the pn junction of 0.5 V was obtained.

Potential well formation in electrostatic confinement devices. Technical summary report

International Nuclear Information System (INIS)

Cherrington, B.E.; Verdeyen, J.T.

1978-01-01

The experimental and theoretical studies on Inertial Electrostatic Plasma Confinement that have been performed in the Gaseous Electronics Laboratory of the University of Illinois are reviewed. There has been experimental confirmation of the production of a multiple potential structure in both small and large spherical devices and the theoretical analysis has indicated the parameter range that is necessary in order to explain such results. Further experimental and theoretical approaches to testing the IEPC concept are suggested

Electronic memory devices based on the chalcone with negative electrostatic potential regions

International Nuclear Information System (INIS)

Yan, Bao-Long; Sun, Ru; Ge, Jian-Feng; Wang, Dong; Li, Hua; Lu, Jian-Mei

2013-01-01

The molecular electrostatic potential (ESP) properties were used for the explanation of organic electric memory ability. Several chalcone compounds, owning a negative ESP region locates at the oxygen atom, were selected in this paper to validate the selection of compounds for organic memory materials. The synthesis, characterization, fabrication of the organic memory devices and the electrical properties for them were reported, and they were shown as WORM (write once read many times) type memory devices. The molecular geometries were optimized by the addition of a changeable electric field in the x direction inside the molecules using FF-DFT (Finite Field-Density Functionary Theory) method. The relationship between ESP of the molecules under different electric field and the property was discussed, and the mechanisms associated with the memory effect were also elucidated from DFT calculation results. - Highlights: • The molecular electrostatic potential (ESP) properties were used. • The chalcone compounds were used for the WORM type device. • The molecular geometries were optimized by the addition of a changeable electric field in the x direction. • The structure–property relationship was discussed

Are electrostatic potentials between regions of different chemical composition measurable? The Gibbs-Guggenheim Principle reconsidered, extended and its consequences revisited.

Science.gov (United States)

Pethica, Brian A

2007-12-21

As indicated by Gibbs and made explicit by Guggenheim, the electrical potential difference between two regions of different chemical composition cannot be measured. The Gibbs-Guggenheim Principle restricts the use of classical electrostatics in electrochemical theories as thermodynamically unsound with some few approximate exceptions, notably for dilute electrolyte solutions and concomitant low potentials where the linear limit for the exponential of the relevant Boltzmann distribution applies. The Principle invalidates the widespread use of forms of the Poisson-Boltzmann equation which do not include the non-electrostatic components of the chemical potentials of the ions. From a thermodynamic analysis of the parallel plate electrical condenser, employing only measurable electrical quantities and taking into account the chemical potentials of the components of the dielectric and their adsorption at the surfaces of the condenser plates, an experimental procedure to provide exceptions to the Principle has been proposed. This procedure is now reconsidered and rejected. No other related experimental procedures circumvent the Principle. Widely-used theoretical descriptions of electrolyte solutions, charged surfaces and colloid dispersions which neglect the Principle are briefly discussed. MD methods avoid the limitations of the Poisson-Bolzmann equation. Theoretical models which include the non-electrostatic components of the inter-ion and ion-surface interactions in solutions and colloid systems assume the additivity of dispersion and electrostatic forces. An experimental procedure to test this assumption is identified from the thermodynamics of condensers at microscopic plate separations. The available experimental data from Kelvin probe studies are preliminary, but tend against additivity. A corollary to the Gibbs-Guggenheim Principle is enunciated, and the Principle is restated that for any charged species, neither the difference in electrostatic potential nor the

An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations

International Nuclear Information System (INIS)

Poursina, Mohammad; Anderson, Kurt S.

2014-01-01

This paper presents a novel algorithm to approximate the long-range electrostatic potential field in the Cartesian coordinates applicable to 3D coarse-grained simulations of biopolymers. In such models, coarse-grained clusters are formed via treating groups of atoms as rigid and/or flexible bodies connected together via kinematic joints. Therefore, multibody dynamic techniques are used to form and solve the equations of motion of such coarse-grained systems. In this article, the approximations for the potential fields due to the interaction between a highly negatively/positively charged pseudo-atom and charged particles, as well as the interaction between clusters of charged particles, are presented. These approximations are expressed in terms of physical and geometrical properties of the bodies such as the entire charge, the location of the center of charge, and the pseudo-inertia tensor about the center of charge of the clusters. Further, a novel substructuring scheme is introduced to implement the presented far-field potential evaluations in a binary tree framework as opposed to the existing quadtree and octree strategies of implementing fast multipole method. Using the presented Lagrangian grids, the electrostatic potential is recursively calculated via sweeping two passes: assembly and disassembly. In the assembly pass, adjacent charged bodies are combined together to form new clusters. Then, the potential field of each cluster due to its interaction with faraway resulting clusters is recursively calculated in the disassembly pass. The method is highly compatible with multibody dynamic schemes to model coarse-grained biopolymers. Since the proposed method takes advantage of constant physical and geometrical properties of rigid clusters, improvement in the overall computational cost is observed comparing to the tradition application of fast multipole method

An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations

Science.gov (United States)

Poursina, Mohammad; Anderson, Kurt S.

2014-08-01

This paper presents a novel algorithm to approximate the long-range electrostatic potential field in the Cartesian coordinates applicable to 3D coarse-grained simulations of biopolymers. In such models, coarse-grained clusters are formed via treating groups of atoms as rigid and/or flexible bodies connected together via kinematic joints. Therefore, multibody dynamic techniques are used to form and solve the equations of motion of such coarse-grained systems. In this article, the approximations for the potential fields due to the interaction between a highly negatively/positively charged pseudo-atom and charged particles, as well as the interaction between clusters of charged particles, are presented. These approximations are expressed in terms of physical and geometrical properties of the bodies such as the entire charge, the location of the center of charge, and the pseudo-inertia tensor about the center of charge of the clusters. Further, a novel substructuring scheme is introduced to implement the presented far-field potential evaluations in a binary tree framework as opposed to the existing quadtree and octree strategies of implementing fast multipole method. Using the presented Lagrangian grids, the electrostatic potential is recursively calculated via sweeping two passes: assembly and disassembly. In the assembly pass, adjacent charged bodies are combined together to form new clusters. Then, the potential field of each cluster due to its interaction with faraway resulting clusters is recursively calculated in the disassembly pass. The method is highly compatible with multibody dynamic schemes to model coarse-grained biopolymers. Since the proposed method takes advantage of constant physical and geometrical properties of rigid clusters, improvement in the overall computational cost is observed comparing to the tradition application of fast multipole method.

A simple derivation for amplitude and time period of charged particles in an electrostatic bathtub potential

International Nuclear Information System (INIS)

Prathap Reddy, K

2016-01-01

An ‘electrostatic bathtub potential’ is defined and analytical expressions for the time period and amplitude of charged particles in this potential are obtained and compared with simulations. These kinds of potentials are encountered in linear electrostatic ion traps, where the potential along the axis appears like a bathtub. Ion traps are used in basic physics research and mass spectrometry to store ions; these stored ions make oscillatory motion within the confined volume of the trap. Usually these traps are designed and studied using ion optical software, but in this work the bathtub potential is reproduced by making two simple modifications to the harmonic oscillator potential. The addition of a linear ‘ k 1 | x |’ potential makes the simple harmonic potential curve steeper with a sharper turn at the origin, while the introduction of a finite-length zero potential region at the centre reproduces the flat region of the bathtub curve. This whole exercise of modelling a practical experimental situation in terms of a well-known simple physics problem may generate interest among readers. (paper)

Parallel computation of electrostatic potentials and fields in technical geometries on SUPRENUM

International Nuclear Information System (INIS)

Alef, M.

1990-02-01

The programs EPOTZR und EFLDZR have been developed in order to compute electrostatic potentials and the corresponding fields in technical geometries (example: Diode geometry for optimum focussing of ion beams in pulsed high-current ion diodes). The Poisson equation is discretized in a two-dimensional boundary-fitted grid in the (r,z)-plane and solved using multigrid methods. The z- and r-components of the field are determined by numerical differentiation of the potential. This report contains the user's guide of the SUPRENUM versions EPOTZR-P and EFLDZR-P. (orig./HP) [de

Large electrostatic accelerators

Energy Technology Data Exchange (ETDEWEB)

Jones, C.M.

1984-01-01

The increasing importance of energetic heavy ion beams in the study of atomic physics, nuclear physics, and materials science has partially or wholly motivated the construction of a new generation of large electrostatic accelerators designed to operate at terminal potentials of 20 MV or above. In this paper, the author briefly discusses the status of these new accelerators and also discusses several recent technological advances which may be expected to further improve their performance. The paper is divided into four parts: (1) a discussion of the motivation for the construction of large electrostatic accelerators, (2) a description and discussion of several large electrostatic accelerators which have been recently completed or are under construction, (3) a description of several recent innovations which may be expected to improve the performance of large electrostatic accelerators in the future, and (4) a description of an innovative new large electrostatic accelerator whose construction is scheduled to begin next year. Due to time and space constraints, discussion is restricted to consideration of only tandem accelerators.

Large electrostatic accelerators

International Nuclear Information System (INIS)

Jones, C.M.

1984-01-01

The increasing importance of energetic heavy ion beams in the study of atomic physics, nuclear physics, and materials science has partially or wholly motivated the construction of a new generation of large electrostatic accelerators designed to operate at terminal potentials of 20 MV or above. In this paper, the author briefly discusses the status of these new accelerators and also discusses several recent technological advances which may be expected to further improve their performance. The paper is divided into four parts: (1) a discussion of the motivation for the construction of large electrostatic accelerators, (2) a description and discussion of several large electrostatic accelerators which have been recently completed or are under construction, (3) a description of several recent innovations which may be expected to improve the performance of large electrostatic accelerators in the future, and (4) a description of an innovative new large electrostatic accelerator whose construction is scheduled to begin next year. Due to time and space constraints, discussion is restricted to consideration of only tandem accelerators

Ion sources for electrostatic accelerators

International Nuclear Information System (INIS)

Hellborg, R.

1998-01-01

Maybe the most important part of an electrostatic accelerator system, and also often the most tricky part is the ion source. There has been a rapid growth in activity in ion-source research and development during the last two to three decades. Some of these developments have also been of benefit to electrostatic accelerator users. In this report some of the different types of ion sources used in electrostatic accelerators are described. The list is not complete but more an overview of some of the more commonly used sources. The description is divided into two groups; positive ion sources for single stage electrostatic accelerators and negative ion sources for two stages (i.e. tandem) accelerators

Electrostatic energy of KHF2

NARCIS (Netherlands)

Gool, W. van; Bruinink, J.; Bottelberghs, P.H.

1972-01-01

Electrostatic lattice energies are calculated in KHF2. Fractional charges occurring in the complex anions are treated with a general procedure and the results are compared to a specialized approach reported earlier. Interstitial potentials are calculated to obtain the electrostatic field through

Clustering of HIV-1 Subtypes Based on gp120 V3 Loop electrostatic properties

International Nuclear Information System (INIS)

López de Victoria, Aliana; Kieslich, Chris A; Rizos, Apostolos K; Krambovitis, Elias; Morikis, Dimitrios

2012-01-01

The V3 loop of the glycoprotein gp120 of HIV-1 plays an important role in viral entry into cells by utilizing as coreceptor CCR5 or CXCR4, and is implicated in the phenotypic tropisms of HIV viruses. It has been hypothesized that the interaction between the V3 loop and CCR5 or CXCR4 is mediated by electrostatics. We have performed hierarchical clustering analysis of the spatial distributions of electrostatic potentials and charges of V3 loop structures containing consensus sequences of HIV-1 subtypes. Although the majority of consensus sequences have a net charge of +3, the spatial distribution of their electrostatic potentials and charges may be a discriminating factor for binding and infectivity. This is demonstrated by the formation of several small subclusters, within major clusters, which indicates common origin but distinct spatial details of electrostatic properties. Some of this information may be present, in a coarse manner, in clustering of sequences, but the spatial details are largely lost. We show the effect of ionic strength on clustering of electrostatic potentials, information that is not present in clustering of charges or sequences. We also make correlations between clustering of electrostatic potentials and net charge, coreceptor selectivity, global prevalence, and geographic distribution. Finally, we interpret coreceptor selectivity based on the N 6 X 7 T 8 |S 8 X 9 sequence glycosylation motif, the specific positive charge location according to the 11/24/25 rule, and the overall charge and electrostatic potential distribution. We propose that in addition to the sequence and the net charge of the V3 loop of each subtype, the spatial distributions of electrostatic potentials and charges may also be important factors for receptor recognition and binding and subsequent viral entry into cells. This implies that the overall electrostatic potential is responsible for long-range recognition of the V3 loop with coreceptors CCR5/CXCR4, whereas the charge

Clustering of HIV-1 Subtypes Based on gp120 V3 Loop electrostatic properties

Directory of Open Access Journals (Sweden)

López de Victoria Aliana

2012-02-01

Full Text Available Abstract Background The V3 loop of the glycoprotein gp120 of HIV-1 plays an important role in viral entry into cells by utilizing as coreceptor CCR5 or CXCR4, and is implicated in the phenotypic tropisms of HIV viruses. It has been hypothesized that the interaction between the V3 loop and CCR5 or CXCR4 is mediated by electrostatics. We have performed hierarchical clustering analysis of the spatial distributions of electrostatic potentials and charges of V3 loop structures containing consensus sequences of HIV-1 subtypes. Results Although the majority of consensus sequences have a net charge of +3, the spatial distribution of their electrostatic potentials and charges may be a discriminating factor for binding and infectivity. This is demonstrated by the formation of several small subclusters, within major clusters, which indicates common origin but distinct spatial details of electrostatic properties. Some of this information may be present, in a coarse manner, in clustering of sequences, but the spatial details are largely lost. We show the effect of ionic strength on clustering of electrostatic potentials, information that is not present in clustering of charges or sequences. We also make correlations between clustering of electrostatic potentials and net charge, coreceptor selectivity, global prevalence, and geographic distribution. Finally, we interpret coreceptor selectivity based on the N6X7T8|S8X9 sequence glycosylation motif, the specific positive charge location according to the 11/24/25 rule, and the overall charge and electrostatic potential distribution. Conclusions We propose that in addition to the sequence and the net charge of the V3 loop of each subtype, the spatial distributions of electrostatic potentials and charges may also be important factors for receptor recognition and binding and subsequent viral entry into cells. This implies that the overall electrostatic potential is responsible for long-range recognition of the V3

Laboratory Measurements of Electrostatic Solitary Structures Generated by Beam Injection

International Nuclear Information System (INIS)

Lefebvre, Bertrand; Chen, Li-Jen; Gekelman, Walter; Pribyl, Patrick; Vincena, Stephen; Kintner, Paul; Pickett, Jolene; Chiang, Franklin; Judy, Jack

2010-01-01

Electrostatic solitary structures are generated by injection of a suprathermal electron beam parallel to the magnetic field in a laboratory plasma. Electric microprobes with tips smaller than the Debye length (λ De ) enabled the measurement of positive potential pulses with half-widths 4 to 25λ De and velocities 1 to 3 times the background electron thermal speed. Nonlinear wave packets of similar velocities and scales are also observed, indicating that the two descend from the same mode which is consistent with the electrostatic whistler mode and result from an instability likely to be driven by field-aligned currents.

Positive zeta potential of a negatively charged semi-permeable plasma membrane

Science.gov (United States)

Sinha, Shayandev; Jing, Haoyuan; Das, Siddhartha

2017-08-01

The negative charge of the plasma membrane (PM) severely affects the nature of moieties that may enter or leave the cells and controls a large number of ion-interaction-mediated intracellular and extracellular events. In this letter, we report our discovery of a most fascinating scenario, where one interface (e.g., membrane-cytosol interface) of the negatively charged PM shows a positive surface (or ζ) potential, while the other interface (e.g., membrane-electrolyte interface) still shows a negative ζ potential. Therefore, we encounter a completely unexpected situation where an interface (e.g., membrane-cytosol interface) that has a negative surface charge density demonstrates a positive ζ potential. We establish that the attainment of such a property by the membrane can be ascribed to an interplay of the nature of the membrane semi-permeability and the electrostatics of the electric double layer established on either side of the charged membrane. We anticipate that such a membrane property can lead to such capabilities of the cell (in terms of accepting or releasing certain kinds of moieties as well regulating cellular signaling) that was hitherto inconceivable.

Electrostatics in Chemistry

Indian Academy of Sciences (India)

fundamental concepts of electrostatics as applied to atoms and molecules. The electric ... chemistry, the chemistry of the covalent bond, deals with the structures ..... the position of an asteroid named Ceres ... World Scientific. Singapore, 1992.

Molecular electrostatic potential analysis of non-covalent complexes

Indian Academy of Sciences (India)

Chemical Sciences and Technology Division and Academy of Scientific & Innovative Research (AcSIR), ... workers proposed the electrostatic-covalent model of hydrogen bonding. ..... tain degree of electron donation and acceptance occurs.

Continuum electrostatics for ionic solutions with non-uniform ionic sizes

International Nuclear Information System (INIS)

Li Bo

2009-01-01

This work concerns electrostatic properties of an ionic solution with multiple ionic species of possibly different ionic sizes. Such properties are described by the minimization of an electrostatic free-energy functional of ionic concentrations. Bounds are obtained for ionic concentrations with low electrostatic free energies. Such bounds are used to show that there exists a unique set of equilibrium ionic concentrations that minimizes the free-energy functional. The equilibrium ionic concentrations are found to depend sorely on the equilibrium electrostatic potential, resembling the classical Boltzmann distributions that relate the equilibrium ionic concentrations to the equilibrium electrostatic potential. Unless all the ionic and solvent molecular sizes are assumed to be the same, explicit formulae of such dependence are, however, not available in general. It is nevertheless proved that in equilibrium the ionic charge density is a decreasing function of the electrostatic potential. This determines a variational principle with a convex functional for the electrostatic potential

Limiting assumptions in molecular modeling: electrostatics.

Science.gov (United States)

Marshall, Garland R

2013-02-01

Molecular mechanics attempts to represent intermolecular interactions in terms of classical physics. Initial efforts assumed a point charge located at the atom center and coulombic interactions. It is been recognized over multiple decades that simply representing electrostatics with a charge on each atom failed to reproduce the electrostatic potential surrounding a molecule as estimated by quantum mechanics. Molecular orbitals are not spherically symmetrical, an implicit assumption of monopole electrostatics. This perspective reviews recent evidence that requires use of multipole electrostatics and polarizability in molecular modeling.

Influence of solvent polarization and non-uniform ion size on electrostatic properties between charged surfaces in an electrolyte solution

Science.gov (United States)

Sin, Jun-Sik

2017-12-01

In this paper, we study electrostatic properties between two similar or oppositely charged surfaces immersed in an electrolyte solution by using the mean-field approach accounting for solvent polarization and non-uniform size effects. Applying a free energy formalism accounting for unequal ion sizes and orientational ordering of water dipoles, we derive coupled and self-consistent equations to calculate electrostatic properties between charged surfaces. Electrostatic properties for similarly charged surfaces depend on the counterion size but not on the coion size. Moreover, electrostatic potential and osmotic pressure between similarly charged surfaces are found to be increased with increasing counterion size. On the other hand, the corresponding ones between oppositely charged surfaces are related to both sizes of positive and negative ions. For oppositely charged surfaces, the electrostatic potential, number density of solvent molecules, and relative permittivity of an electrolyte having unequal ion sizes are not symmetric about the centerline between the charged surfaces. For either case, the consideration of solvent polarization results in a decrease in the electrostatic potential and the osmotic pressure compared to the case without the effect.

High precision electrostatic potential calculations for cylindrically symmetric lenses

International Nuclear Information System (INIS)

Edwards, David Jr.

2007-01-01

A method is developed for a potential calculation within cylindrically symmetric electrostatic lenses using mesh relaxation techniques, and it is capable of considerably higher accuracies than currently available. The method involves (i) creating very high order algorithms (orders of 6, 8, and 10) for determining the potentials at points in the net using surrounding point values, (ii) eliminating the effect of the large errors caused by singular points, and (iii) reducing gradients in the high gradient regions of the geometry, thereby allowing the algorithms used in these regions to achieve greater precisions--(ii) and (iii) achieved by the use of telescopic multiregions. In addition, an algorithm for points one unit from a metal surface is developed, allowing general mesh point algorithms to be used in these situations, thereby taking advantage of the enhanced precision of the latter. A maximum error function dependent on a sixth order gradient of the potential is defined. With this the single point algorithmic errors are able to be viewed over the entire net. Finally, it is demonstrated that by utilizing the above concepts and procedures, the potential of a point in a reasonably high gradient region of a test geometry can realize a precision of less than 10 -10

Electrostatic pickup station

CERN Multimedia

CERN PhotoLab

1982-01-01

Electrostatic pickup station, with 4 interleaved electrodes, to measure beam position in the horizontal and vertical plane. This type is used in the transfer lines leaving the PS (TT2, TT70, TTL2). See also 7904075.

Electrostatically telescoping nanotube nonvolatile memory device

International Nuclear Information System (INIS)

Kang, Jeong Won; Jiang Qing

2007-01-01

We propose a nonvolatile memory based on carbon nanotubes (CNTs) serving as the key building blocks for molecular-scale computers and investigate the dynamic operations of a double-walled CNT memory element by classical molecular dynamics simulations. The localized potential energy wells achieved from both the interwall van der Waals energy and CNT-metal binding energy make the bistability of the CNT positions and the electrostatic attractive forces induced by the voltage differences lead to the reversibility of this CNT memory. The material for the electrodes should be carefully chosen to achieve the nonvolatility of this memory. The kinetic energy of the CNT shuttle experiences several rebounds induced by the collisions of the CNT onto the metal electrodes, and this is critically important to the performance of such an electrostatically telescoping CNT memory because the collision time is sufficiently long to cause a delay of the state transition

Atomic resolution electrostatic potential mapping of graphene sheets by off-axis electron holography

Energy Technology Data Exchange (ETDEWEB)

Cooper, David, E-mail: david.cooper@cea.fr [University Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054, Grenoble (France); Pan, Cheng-Ta; Haigh, Sarah [School of Materials, The University of Manchester, Manchester M13 9PL (United Kingdom)

2014-06-21

Off-axis electron holography has been performed at atomic resolution with the microscope operated at 80 kV to provide electrostatic potential maps from single, double, and triple layer graphene. These electron holograms have been reconstructed in order to obtain information about atomically resolved and mean inner potentials. We propose that off-axis electron holography can now be used to measure the electrical properties in a range of two-dimensional semiconductor materials and three dimensional devices comprising stacked layers of films to provide important information about their electrical properties.

Atomic resolution electrostatic potential mapping of graphene sheets by off-axis electron holography

International Nuclear Information System (INIS)

Cooper, David; Pan, Cheng-Ta; Haigh, Sarah

2014-01-01

Off-axis electron holography has been performed at atomic resolution with the microscope operated at 80 kV to provide electrostatic potential maps from single, double, and triple layer graphene. These electron holograms have been reconstructed in order to obtain information about atomically resolved and mean inner potentials. We propose that off-axis electron holography can now be used to measure the electrical properties in a range of two-dimensional semiconductor materials and three dimensional devices comprising stacked layers of films to provide important information about their electrical properties.

Calculation of the electrostatic potential of lipid bilayers from molecular dynamics simulations: methodological issues

DEFF Research Database (Denmark)

Gurtovenko, Andrey A; Vattulainen, Ilpo

2009-01-01

of the electrostatic potential from atomic-scale molecular dynamics simulations of lipid bilayers. We discuss two slightly different forms of Poisson equation that are normally used to calculate the membrane potential: (i) a classical form when the potential and the electric field are chosen to be zero on one...... systems). For symmetric bilayers we demonstrate that both approaches give essentially the same potential profiles, provided that simulations are long enough (a production run of at least 100 ns is required) and that fluctuations of the center of mass of a bilayer are properly accounted for. In contrast...

Analytical calculation of geometric and chromatic aberrations in a bi-potential electrostatic and bell-shaped magnetic combined lens

International Nuclear Information System (INIS)

Ximen Jiye; Liu Zhixiong

2000-01-01

In the present paper, Gaussian optical property in the bi-potential electrostatic and the bell-shaped magnetic combined lens - a new theoretical model first proposed in electron optics - has been thoroughly studied. Meanwhile, based on electron optical canonical aberration theory, analytical formulas of third-order geometrical and first-order chromatic aberration coefficients and their computational results have first been derived for this bi-potential electrostatic and bell-shaped magnetic combined lens. It is to emphasized that this theoretical study can be used to estimate third-order geometric and first-order chromatic aberrations and to provide a theoretical criterion for numerical computation in a rotationally symmetric electromagnetic lens

Driving electrostatic transducers

DEFF Research Database (Denmark)

Nielsen, Dennis; Knott, Arnold; Andersen, Michael A. E.

2013-01-01

Electrostatic transducers represent a very interesting alternative to the traditional inefficient electrodynamic transducers. In order to establish the full potential of these transducers, power amplifiers which fulfill the strict requirements imposed by such loads (high impedance, frequency...... depended, nonlinear and high bias voltage for linearization) must be developed. This paper analyzes power stages and bias configurations suitable for driving an electrostatic transducer. Measurement results of a 300 V prototype amplifier are shown. Measuring THD across a high impedance source is discussed...

Real-space formulation of the electrostatic potential and total energy of solids

International Nuclear Information System (INIS)

Pask, J E; Sterne, P A

2004-01-01

We develop expressions for the electrostatic potential and total energy of crystalline solids which are amenable to direct evaluation in real space. Unlike conventional reciprocal space formulations, no Fourier transforms or reciprocal lattice summations are required, and the formulation is well suited for large-scale, parallel computations. The need for reciprocal space expressions is eliminated by replacing long-range potentials by equivalent localized charge distributions and incorporating long-range interactions into boundary conditions on the unit cell. In so doing, a simplification of the conventional reciprocal space formalism is obtained. The equivalence of the real- and reciprocal space formalisms is demonstrated by direct comparison in self-consistent density-functional calculations

Structural and electrostatic regularities in interactions of homeodomains with operator DNA

International Nuclear Information System (INIS)

Chirgadze, Yu.N.; Ivanov, V.V.; Polozov, R.V.; Zheltukhin, E.I.; Sivozhelezov, V.S.

2008-01-01

Interfaces of five DNA-homeodomain complexes, selected by similarity of structures and patterns of contacting residues, were compared. The long-range stage of the recognition process was characterized by electrostatic potentials about 5 Angstroem away from molecular surfaces of both protein and DNA. For proteins, clear positive potential is displayed only at the side contacting DNA, while grooves of DNA display a strong negative potential. Thus, one functional role of electrostatics is guiding the protein into the DNA major groove. At the close-range stage, neutralization of the phosphate charges by positively charged residues is necessary for decreasing the strong electrostatic potential of DNA, allowing nucleotide bases to participate in formation of protein-DNA atomic contacts in the interface. The protein's recognizing α-helix was shown to form both invariant and variable contacts with DNA by means of the certain specific side groups, with water molecules participating in some of the contacts. The invariant contacts included the highly specific Asn-Ade hydrogen bonds, nonpolar contacts of hydrophobic amino acids serving as barriers for fixing the protein on DNA, and interface water molecule cluster providing local mobility necessary for the dissociation of the protein-DNA complex. One of the water molecules is invariant and located at the center of the interface. Invariant contacts of the proteins are mostly formed with the TAAT motive of promoter DNA's forward strand. They distinguish the homeodomain family from other DNA-binding proteins. Variable contacts are formed with the reverse strand and are responsible for the binding specificity within the homeodomain family

Dirac gap-induced graphene quantum dot in an electrostatic potential

Science.gov (United States)

Giavaras, G.; Nori, Franco

2011-04-01

A spatially modulated Dirac gap in a graphene sheet leads to charge confinement, thus enabling a graphene quantum dot to be formed without the application of external electric and magnetic fields [G. Giavaras and F. Nori, Appl. Phys. Lett. 97, 243106 (2010)]. This can be achieved provided the Dirac gap has a local minimum in which the states become localized. In this work, the physics of such a gap-induced dot is investigated in the continuum limit by solving the Dirac equation. It is shown that gap-induced confined states couple to the states introduced by an electrostatic quantum well potential. Hence the region in which the resulting hybridized states are localized can be tuned with the potential strength, an effect which involves Klein tunneling. The proposed quantum dot may be used to probe quasirelativistic effects in graphene, while the induced confined states may be useful for graphene-based nanostructures.

SIMION, Electrostatic Lens Analysis and Design

International Nuclear Information System (INIS)

Dahl, David A.

2001-01-01

1 - Description of program or function: SIMION is an electrostatic lens analysis and design program. In SIMION an electrostatic lens is defined as a two-dimensional electrostatic potential array containing both electrode and non-electrode points. The potential array is refined using over-relaxation methods allowing voltage contours and ion trajectories to be computed and plotted. Planar and cylindrical symmetry assumptions allow the two-dimensional fields to support three-dimensional ion trajectory calculations. In addition, the user has the option of writing simple programs which can among other actions control field scale factors, dynamically adjust electrodes, and define explicit three-dimensional field functions (e.g. a quadrupole) used in lieu of array fields in specified portions of the potential array. Magnetic fields can be specified for computing ion trajectories in many electrostatic and magnetic field environments. An interactive graphics interface that uses a high resolution color display and mouse allows the user to view electrodes, trajectories, and contours on the screen prior to plotting, and a memory zoom feature permits expansion of selected areas in the current view. The mouse can be operated to edit the potential array, initialize voltage gradients, or resize the potential array. 2 - Method of solution: SIMION is designed to model the electrostatic fields and forces created by a collection of shaped electrodes given certain symmetry assumptions. The electrostatic fields are modeled as boundary value problem solutions of a Laplace elliptical partial differential equation. A finite difference technique called dynamically self-adjusting over-relaxation is applied to the two-dimensional potential array of points representing electrode and non-electrode regions to obtain a best estimate of the voltages for those points within the array that depict non-electrode regions. A standard fourth-order Runge-Kutta method is used for numerical integration of

Electrostatic pickup station

CERN Multimedia

CERN PhotoLab

1979-01-01

Electrostatic pickup station, with 4 electrodes, to measure beam position in the horizontal and vertical plane. This type is used in the transfer lines leaving the PS (TT2, TTL2, TT70). See also 8206063, where the electrode shapes are clearly visible.

Electrostatic beneficiation of coal

Energy Technology Data Exchange (ETDEWEB)

Mazumder, M.K.; Tennal, K.B.; Lindquist, D.

1994-10-01

Dry physical beneficiation of coal has many advantages over wet cleaning methods and post combustion flue gas cleanup processes. The dry beneficiation process is economically competitive and environmentally safe and has the potential of making vast amounts of US coal reserves available for energy generation. While the potential of the electrostatic beneficiation has been studied for many years in laboratories and in pilot plants, a successful full scale electrostatic coal cleaning plant has not been commercially realized yet. In this paper the authors review some of the technical problems that are encountered in this method and suggest possible solutions that may lead toward its full utilization in cleaning coal.

Inertial Electrostatic Confinement (IEC) devices

International Nuclear Information System (INIS)

Nebel, R.A.; Turner, L.; Tiouririne, T.N.; Barnes, D.C.; Nystrom, W.D.; Bussard, R.W.; Miley, G.H.; Javedani, J.; Yamamoto, Y.

1994-01-01

Inertial Electrostatic Confinement (IEC) is one of the earliest plasma confinement concepts, having first been suggested by P. T. Farnsworth in the 1950s. The concept involves a simple apparatus of concentric spherical electrostatic grids or a combination of grids and magnetic fields. An electrostatic structure is formed from the confluence of electron or ion beams. Gridded IEC systems have demonstrated neutron yields as high as 2 * 10 10 neutrons/sec. These systems have considerable potential as small, inexpensive, portable neutron sources for assaying applications. Neutron tomography is also a potential application. Atomic physics effects strongly influence the performance of all of these systems. Important atomic effects include elastic scattering, ionization, excitation, and charge exchange. This paper discusses how an IEC system is influenced by these effects and how to design around them. Theoretical modeling and experimental results are presented

Effects of positive potential in the catastrophe theory study of the point model for bumpy tori

Energy Technology Data Exchange (ETDEWEB)

Punjabi, A; Vahala, G [College of William and Mary, Williamsburg, VA (USA). Dept. of Physics

1985-02-01

With positive ambipolar potential, ion non-resonant neoclassical transport leads to increased particle confinement times. In certain regimes of filling pressure, microwave powers (ECRH and ICRH) and positive potential, new folds can now emerge from previously degenerate equilibrium surfaces allowing for distinct C, T, and M modes of operation. A comparison in the equilibrium fold structure is also made between (i) equal particle and energy confinement times, and (ii) particle confinement times enhanced over the energy confinement time. The nonlinear time evolution of these point model equations is considered and confirms the delay convention occurrences at the fold edges. It is clearly seen that the time-asymptotic equilibrium state is very sensitive, not only to the values of the control parameters (neutral density, ambipolar electrostatic potential, electron and ion cyclotron power densities) but also to the initial conditions on the plasma density, and electron and ion temperatures.

Existence domain of electrostatic solitary waves in the lunar wake

Science.gov (United States)

Rubia, R.; Singh, S. V.; Lakhina, G. S.

2018-03-01

Electrostatic solitary waves (ESWs) and double layers are explored in a four-component plasma consisting of hot protons, hot heavier ions (He++), electron beam, and suprathermal electrons having κ-distribution using the Sagdeev pseudopotential method. Three modes exist: slow and fast ion-acoustic modes and electron-acoustic mode. The occurrence of ESWs and their existence domain as a function of various plasma parameters, such as the number densities of ions and electron beam, the spectral index, κ, the electron beam velocity, the temperatures of ions, and electron beam, are analyzed. It is observed that both the slow and fast ion-acoustic modes support both positive and negative potential solitons as well as their coexistence. Further, they support a "forbidden gap," the region in which the soliton ceases to propagate. In addition, slow ion-acoustic solitons support the existence of both positive and negative potential double layers. The electron-acoustic mode is only found to support negative potential solitons for parameters relevant to the lunar wake plasma. Fast Fourier transform of a soliton electric field produces a broadband frequency spectrum. It is suggested that all three soliton types taken together can provide a good explanation for the observed electrostatic waves in the lunar wake.

Mathematics motivated by physics: the electrostatic potential is the Coulomb integral transform of the electric charge density

OpenAIRE

Medina, L; Ley Koo, E

2008-01-01

This article illustrates a practical way to connect and coordinate the teaching and learning of physics and mathematics. The starting point is the electrostatic potential, which is obtained in any introductory course of electromagnetism from the Coulomb potential and the superposition principle for any charge distribution. The necessity to develop solutions to the Laplace and Poisson differential equations is also recognized, identifying the Coulomb potential as the generating function of har...

Guided assembly of nanoparticles on electrostatically charged nanocrystalline diamond thin films

Directory of Open Access Journals (Sweden)

Verveniotis Elisseos

2011-01-01

Full Text Available Abstract We apply atomic force microscope for local electrostatic charging of oxygen-terminated nanocrystalline diamond (NCD thin films deposited on silicon, to induce electrostatically driven self-assembly of colloidal alumina nanoparticles into micro-patterns. Considering possible capacitive, sp2 phase and spatial uniformity factors to charging, we employ films with sub-100 nm thickness and about 60% relative sp2 phase content, probe the spatial material uniformity by Raman and electron microscopy, and repeat experiments at various positions. We demonstrate that electrostatic potential contrast on the NCD films varies between 0.1 and 1.2 V and that the contrast of more than ±1 V (as detected by Kelvin force microscopy is able to induce self-assembly of the nanoparticles via coulombic and polarization forces. This opens prospects for applications of diamond and its unique set of properties in self-assembly of nano-devices and nano-systems.

Electrostatic solitons in unmagnetized hot electron-positron-ion plasmas

International Nuclear Information System (INIS)

Mahmood, S.; Ur-Rehman, H.

2009-01-01

Linear and nonlinear electrostatic waves in unmagnetized electron-positron-ion (e-p-i) plasmas are studied. The electrons and positrons are assumed to be isothermal and dynamic while ions are considered to be stationary to neutralize the plasma background only. It is found that both upper (fast) and lower (slow) Langmuir waves can propagates in such a type of pair (e-p) plasma in the presence of ions. The small amplitude electrostatic Korteweg-de Vries (KdV) solitons are also obtained using reductive perturbation method. The electrostatic potential hump structures are found to exist when the temperature of the electrons is larger than the positrons, while the electrostatic potential dips are obtained in the reverse temperature conditions for electrons and positrons in e-p-i plasmas. The numerical results are also shown for illustration. The effects of different ion concentration and temperature ratios of electrons and positrons, on the formation of nonlinear electrostatic potential structures in e-p-i plasmas are also discussed.

Mapping the electrostatic potential of Au nanoparticles using hybrid electron holography.

Science.gov (United States)

Ozsoy-Keskinbora, Cigdem; Boothroyd, Chris B; Dunin-Borkowski, Rafal E; van Aken, Peter A; Koch, Christoph T

2016-06-01

Electron holography is a powerful technique for characterizing electrostatic potentials, charge distributions, electric and magnetic fields, strain distributions and semiconductor dopant distributions with sub-nm spatial resolution. Mapping internal electrostatic and magnetic fields within nanoparticles and other low-dimensional materials by TEM requires both high spatial resolution and high phase sensitivity. Carrying out such an analysis fully quantitatively is even more challenging, since artefacts such as dynamical electron scattering may strongly affect the measurement. In-line electron holography, one of the variants of electron holography, features high phase sensitivity at high spatial frequencies, but suffers from inefficient phase recovery at low spatial frequencies. Off-axis electron holography, in contrast, can recover low spatial frequency phase information much more reliably, but is less effective in retrieving phase information at high spatial frequencies when compared to in-line holography. We investigate gold nanoparticles using hybrid electron holography at both atomic-resolution and intermediate magnification. Hybrid electron holography is a novel technique that synergistically combines off-axis and in-line electron holography, allowing the measurement of the complex wave function describing the scattered electrons with excellent signal-to-noise properties at both high and low spatial frequencies. The effect of dynamical electron scattering is minimized by beam tilt averaging. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Conservation and Role of Electrostatics in Thymidylate Synthase.

Science.gov (United States)

Garg, Divita; Skouloubris, Stephane; Briffotaux, Julien; Myllykallio, Hannu; Wade, Rebecca C

2015-11-27

Conservation of function across families of orthologous enzymes is generally accompanied by conservation of their active site electrostatic potentials. To study the electrostatic conservation in the highly conserved essential enzyme, thymidylate synthase (TS), we conducted a systematic species-based comparison of the electrostatic potential in the vicinity of its active site. Whereas the electrostatics of the active site of TS are generally well conserved, the TSs from minimal organisms do not conform to the overall trend. Since the genomes of minimal organisms have a high thymidine content compared to other organisms, the observation of non-conserved electrostatics was surprising. Analysis of the symbiotic relationship between minimal organisms and their hosts, and the genetic completeness of the thymidine synthesis pathway suggested that TS from the minimal organism Wigglesworthia glossinidia (W.g.b.) must be active. Four residues in the vicinity of the active site of Escherichia coli TS were mutated individually and simultaneously to mimic the electrostatics of W.g.b TS. The measured activities of the E. coli TS mutants imply that conservation of electrostatics in the region of the active site is important for the activity of TS, and suggest that the W.g.b. TS has the minimal activity necessary to support replication of its reduced genome.

Correlation between potential well structure and neutron production in inertial electrostatic confinement fusion

International Nuclear Information System (INIS)

Ohnishi, M.; Yamamoto, Y.; Yoshikawa, K.; Sato, K.H.

1997-01-01

The electrostatic potential well in inertial electrostatic confinement (IEC) is studied using two approaches. First, the equilibrium potential profile is obtained by solving the charge neutrality condition, i.e. n i n e , assuming the appropriate distribution functions for the ions and the electrons. The formation of a double well structure is demonstrated, with a depth depending upon the ratio between the focus radii of the electrons and the ions. The correlations between the well depth and the volume integrated neutron production due to deuterium-deuterium (DD) reactions are obtained. Second, in order to study the stability of the well, the dynamic behaviours of the potential well are calculated by performing time advancing numerical simulations on the basis of the particle in cell method. Single, double and triple wells, depending on the amount of injected ion current, are observed to be formed for ions with a monoenergetic distribution. The well in the centre of the multiwell structure is unstable and oscillates with a periods much longer than the inverse ion plasma frequency. A double well structure can be formed even for ions with a spread out energy distribution when the ion current is larger than the threshold value. The time averaged neutron production by DD fusion events is proportional to a power of the ion current involved in forming the double well structure. The results strongly suggest that the high neutron production rate should be attributed to not only the well depth but also the unstable behaviour of the potential, i.e. the intermittent peaking of the density in the centre region. A numerical simulation reveals that IEC possesses a favourable dependence of fusion reactions on the injected ion current for the application to a neutron source or a fusion reactor. (author). 9 refs, 9 figs

Theory of electrostatics and electrokinetics of soft particles

Directory of Open Access Journals (Sweden)

Hiroyuki Ohshima

2009-01-01

Full Text Available We investigate theoretically the electrostatics and electrokinetics of a soft particle, i.e. a hard particle covered with an ion-penetrable surface layer of polyelectrolytes. The electric properties of soft particles in an electrolyte solution, which differ from those of hard particles, are essentially determined by the Donnan potential in the surface layer. In particular, the Donnan potential plays an essential role in the electrostatics and electrokinetics of soft particles. Furthermore, the concept of zeta potential, which is important in the electrokinetics of hard particles, loses its physical meaning in the electrokinetics of soft particles. In this review, we discuss the potential distribution around a soft particle, the electrostatic interaction between two soft particles, and the motion of a soft particle in an electric field.

Electrostatic Levitation Furnace for the ISS

Science.gov (United States)

Murakami, Keiji; Koshikawa, Naokiyo; Shibasaki, Kohichi; Ishikawa, Takehiko; Okada, Junpei; Takada, Tetsuya; Arai, Tatsuya; Fujino, Naoki; Yamaura, Yukiko

2012-01-01

JAXA (Japan Aerospace Exploration Agency) has just started the development of Electrostatic Levitation Furnace to be launched in 2014 for the ISS. This furnace can control the sample position with electrostatic force and heat it above 2000 degree Celsius using semiconductor laser from four different directions. The announcement of Opportunity will be issued soon for this furnace. In this paper, we will show the specifications of this furnace and also the development schedule

Lens effect of unipolar electrostatic steerers on low-energy ion beams and its effective reduction

International Nuclear Information System (INIS)

Asozu, Takuhiro; Matsuda, Makoto; Kutsukake, Kenichi

2010-08-01

The JAEA-Tokai tandem accelerator has two ion injectors, one is the negative ion injector placed on the ground and the other is the positive ion injector in the high voltage terminal. The electrostatic steerers in the high voltage terminal are used for ion beams from the both injectors. Because the beams from the negative ion injector gain high energy at the 20MV terminal, the electrodes of the electrostatic steerers are designed to be supplied several ten kV. The high voltages are supplied by two unipolar DC power supplies and they are controlled as the sum of the voltages keeps constant. The high electric potential between the electrodes affects the beam trajectory as an electrostatic lens. The potential must be too high for the low energy ion beams from the positive ion injector on the 100kV deck. We simulated the beam trajectory by calculation and evaluated the strength of the lens effects. The results showed that the focal distances were too short to control the beam form positive ion injector using optical devices in the downstream. If we reduce the voltages to one tenth in simulation, then the focusing effects were much less significant. We installed a multiplying factor circuit to make the voltages variable and much lower. The results of beam-handling tests using the circuit actually showed significant increase of the ion beam current. (author)

Surface Electrostatic Potential and Water Orientation in the presence of Sodium Octanoate Dilute Monolayers Studied by Means of Molecular Dynamics Simulations.

Science.gov (United States)

Bernardino, Kalil; de Moura, André F

2015-10-13

A series of atomistic molecular dynamics simulations were performed in the present investigation to assess the spontaneous formation of surfactant monolayers of sodium octanoate at the water-vacuum interface. The surfactant surface coverage increased until a saturation threshold was achieved, after which any further surfactant addition led to the formation of micellar aggregates within the solution. The saturated films were not densely packed, as might be expected for short-chained surfactants, and all films regardless of the surface coverage presented surfactant molecules with the same ordering pattern, namely, with the ionic heads toward the aqueous solution and the tails lying nearly parallel to the interface. The major contributions to the electrostatic surface potential came from the charged heads and the counterion distribution, which nearly canceled out each other. The balance between the oppositely charged ions rendered the electrostatic contributions from water meaningful, amounting to ca. 10% of the contributions arising from the ionic species. And even the aliphatic tails, whose atoms bear relatively small partial atomic charges as compared to the polar molecules and molecular fragments, contributed with ca. 20% of the total electrostatic surface potential of the systems under investigation. Although the aliphatic tails were not so orderly arranged as in a compact film, the C-H bonds assumed a preferential orientation, leading to an increased contribution to the electrostatic properties of the interface. The most prominent feature arising from the partitioning of the electrostatic potential into individual contributions was the long-range ordering of the water molecules. This ordering of the water molecules produced a repulsive dipole-dipole interaction between the two interfaces, which increased with the surface coverage. Only for a water layer wider than 10 nm was true bulk behavior observed, and the repulsive dipole-dipole interaction faded away.

Student reasoning about electrostatic and gravitational potential energy: An exploratory study with interdisciplinary consequences

Directory of Open Access Journals (Sweden)

Beth A. Lindsey

2014-01-01

Full Text Available This paper describes an investigation into student reasoning about potential energy in the context of introductory electrostatics. Similar incorrect reasoning patterns emerged both in written questions administered after relevant instruction and in one-on-one interviews. These reasoning patterns are also prevalent in responses to questions posed about gravitational potential energy in the context of universal gravitation in introductory mechanics. This finding is relevant for interdisciplinary research, because many courses in multiple disciplines first introduce the concept of electric potential energy in analogy to gravitational potential energy. The results suggest that in introductory courses students do not gain an understanding of potential energy that is sufficiently robust to apply in more advanced physics courses or in disciplines other than physics, in which students must frequently reason with energy in the context of interactions between atoms and molecules.

Geometry-Dependent Electrostatics near Contact Lines

International Nuclear Information System (INIS)

Chou, Tom

2001-01-01

Long-ranged electrostatic interactions in electrolytes modify contact angles on charged substrates in a scale and geometry-dependent manner. For angles measured at scales smaller than the typical Debye screening length, the wetting geometry near the contact line must be explicitly considered. Using variational and asymptotic methods, we derive new transcendental equations for the contact angle as functions of the electrostatic potential only at the three phase contact line. Analytic expressions are found in certain limits and compared with predictions for contact angles measured with lower resolution. An estimate for electrostatic contributions to line tension is also given

Electrostatic potentials of the S-locus F-box proteins contribute to the pollen S specificity in self-incompatibility in Petunia hybrida.

Science.gov (United States)

Li, Junhui; Zhang, Yue; Song, Yanzhai; Zhang, Hui; Fan, Jiangbo; Li, Qun; Zhang, Dongfen; Xue, Yongbiao

2017-01-01

Self-incompatibility (SI) is a self/non-self discrimination system found widely in angiosperms and, in many species, is controlled by a single polymorphic S-locus. In the Solanaceae, Rosaceae and Plantaginaceae, the S-locus encodes a single S-RNase and a cluster of S-locus F-box (SLF) proteins to control the pistil and pollen expression of SI, respectively. Previous studies have shown that their cytosolic interactions determine their recognition specificity, but the physical force between their interactions remains unclear. In this study, we show that the electrostatic potentials of SLF contribute to the pollen S specificity through a physical mechanism of 'like charges repel and unlike charges attract' between SLFs and S-RNases in Petunia hybrida. Strikingly, the alteration of a single C-terminal amino acid of SLF reversed its surface electrostatic potentials and subsequently the pollen S specificity. Collectively, our results reveal that the electrostatic potentials act as a major physical force between cytosolic SLFs and S-RNases, providing a mechanistic insight into the self/non-self discrimination between cytosolic proteins in angiosperms. © 2016 The Authors The Plant Journal © 2016 John Wiley & Sons Ltd.

Inertial electrostatic confinement I(IEC) neutron sources

International Nuclear Information System (INIS)

Nebel, R.A.; Barnes, D.C.; Caramana, E.J.; Janssen, R.D.; Nystrom, W.D.; Tiouririne, T.N.; Trent, B.C.; Miley, G.H.; Javedani, J.

1995-01-01

Inertial Electrostatic Confinement (IEC) is one of the earliest plasma confinement concepts, having first been suggested by P.T. Farnsworth in the 1950s. The concept involves a simple apparatus of concentric spherical electrostatic grids or a combination of grids and magnetic fields. An electrostatic structure is formed from the confluence of electron or ion beams. Gridded IEC systems have demonstrated neutron yields as high as 2*10 [10]. neutrons/sec in steady state. These systems have considerable potential as small, inexpensive, portable neutron sources for assaying applications. Neutron tomography is also a potential application. This paper discusses the IEC concept and how it can be adapted to a steady-state assaying source and an intense pulsed neutron source. Theoretical modeling and experimental results are presented

The measurement of electrostatic potentials in core/shell GaN nanowires using off-axis electron holography

DEFF Research Database (Denmark)

Yazdi, Sadegh; Kasama, Takeshi; Ciechonski, R

2013-01-01

Core-shell GaN nanowires are expected to be building blocks of future light emitting devices. Here we apply off-axis electron holography to map the electrostatic potential distributions in such nanowires. To access the cross-section of selected individual nanowires, focused ion beam (FIB) milling...... is used. Furthermore, to assess the influence of FIB damage, the dopant potential measured from an intact NW is compared with a FIB prepared one. It is shown that in addition to the built-in potential between the p-type shell and unintentionally n-type under-layer there is a potential barrier between...... the core and under-layer which are both unintentionally n-type doped....

Two-extremum electrostatic potential of metal-lattice plasma and the work function of an electron

Directory of Open Access Journals (Sweden)

Surma S.A.

2015-06-01

Full Text Available Metal-lattice plasma is treated as a neutral two-component two-phase system of 2D surface and 3D bulk. Free electron density and bulk chemical potential are used as intensive parameters of the system with the phase boundary position determined in the crystalline lattice. A semiempirical expression for the electron screened electrostatic potential is constructed using the lattice-plasma polarization concept. It comprises an image term and three repulsion/attraction terms of second and fourth orders. The novel curve has two extremes and agrees with certain theoretical forms of potential. A practical formula for the electron work function of metals and a simplified schema of electronic structure at the metal/vacuum interface are proposed. This yields 10.44 eV for the Fermi energy of free electron gas; -5.817 eV for the Fermi energy level; 4.509 eV for the average work function of bcc tungsten. Selected data are also given for fcc Cu and hcp Re. For harmonic frequencies ~ 10E16 per s of the self-excited metal-lattice plasma, energy gaps of 14.54 and 8.02 eV are found, which correspond to the bulk and surface plasmons, respectively. Further extension of this thermodynamics and metal-lattice theory based approach may contribute to a better understanding of theoretical models which are employed in chemical physics, catalysis and materials science of nanostructures.

Vlasov Simulation of Electrostatic Solitary Structures in Multi-Component Plasmas

Science.gov (United States)

Umeda, Takayuki; Ashour-Abdalla, Maha; Pickett, Jolene S.; Goldstein, Melvyn L.

2012-01-01

Electrostatic solitary structures have been observed in the Earth's magnetosheath by the Cluster spacecraft. Recent theoretical work has suggested that these solitary structures are modeled by electron acoustic solitary waves existing in a four-component plasma system consisting of core electrons, two counter-streaming electron beams, and one species of background ions. In this paper, the excitation of electron acoustic waves and the formation of solitary structures are studied by means of a one-dimensional electrostatic Vlasov simulation. The present result first shows that either electron acoustic solitary waves with negative potential or electron phase-space holes with positive potential are excited in four-component plasma systems. However, these electrostatic solitary structures have longer duration times and higher wave amplitudes than the solitary structures observed in the magnetosheath. The result indicates that a high-speed and small free energy source may be needed as a fifth component. An additional simulation of a five-component plasma consisting of a stable four-component plasma and a weak electron beam shows the generation of small and fast electron phase-space holes by the bump-on-tail instability. The physical properties of the small and fast electron phase-space holes are very similar to those obtained by the previous theoretical analysis. The amplitude and duration time of solitary structures in the simulation are also in agreement with the Cluster observation.

An electrostatic elliptical mirror for neutral polar molecules.

Science.gov (United States)

González Flórez, A Isabel; Meek, Samuel A; Haak, Henrik; Conrad, Horst; Santambrogio, Gabriele; Meijer, Gerard

2011-11-14

Focusing optics for neutral molecules finds application in shaping and steering molecular beams. Here we present an electrostatic elliptical mirror for polar molecules consisting of an array of microstructured gold electrodes deposited on a glass substrate. Alternating positive and negative voltages applied to the electrodes create a repulsive potential for molecules in low-field-seeking states. The equipotential lines are parallel to the substrate surface, which is bent in an elliptical shape. The mirror is characterized by focusing a beam of metastable CO molecules and the results are compared to the outcome of trajectory simulations.

AESOP: A Python Library for Investigating Electrostatics in Protein Interactions.

Science.gov (United States)

Harrison, Reed E S; Mohan, Rohith R; Gorham, Ronald D; Kieslich, Chris A; Morikis, Dimitrios

2017-05-09

Electric fields often play a role in guiding the association of protein complexes. Such interactions can be further engineered to accelerate complex association, resulting in protein systems with increased productivity. This is especially true for enzymes where reaction rates are typically diffusion limited. To facilitate quantitative comparisons of electrostatics in protein families and to describe electrostatic contributions of individual amino acids, we previously developed a computational framework called AESOP. We now implement this computational tool in Python with increased usability and the capability of performing calculations in parallel. AESOP utilizes PDB2PQR and Adaptive Poisson-Boltzmann Solver to generate grid-based electrostatic potential files for protein structures provided by the end user. There are methods within AESOP for quantitatively comparing sets of grid-based electrostatic potentials in terms of similarity or generating ensembles of electrostatic potential files for a library of mutants to quantify the effects of perturbations in protein structure and protein-protein association. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Manipulation of electron transport in graphene by nanopatterned electrostatic potential on an electret

Science.gov (United States)

Wang, Xiaowei; Wang, Rui; Wang, Shengnan; Zhang, Dongdong; Jiang, Xingbin; Cheng, Zhihai; Qiu, Xiaohui

2018-01-01

The electron transport characteristics of graphene can be finely tuned using local electrostatic fields. Here, we use a scanning probe technique to construct a statically charged electret gate that enables in-situ fabrication of graphene devices with precisely designed potential landscapes, including p-type and n-type unipolar graphene transistors and p-n junctions. Electron dynamic simulation suggests that electron beam collimation and focusing in graphene can be achieved via periodic charge lines and concentric charge circles. This approach to spatially manipulating carrier density distribution may offer an efficient way to investigate the novel electronic properties of graphene and other low-dimensional materials.

Influence of surface topology and electrostatic potential on water/electrode systems

Science.gov (United States)

Siepmann, J. Ilja; Sprik, Michiel

1995-01-01

We have used the classical molecular dynamics technique to simulate the ordering of a water film adsorbed on an atomic model of a tip of a scanning tunneling microscope approaching a planar metal surface. For this purpose, we have developed a classical model for the water-substrate interactions that solely depends on the coordinates of the particles and does not require the definition of geometrically smooth boundary surfaces or image planes. The model includes both an electrostatic induction for the metal atoms (determined by means of an extended Lagrangian technique) and a site-specific treatment of the water-metal chemisorption. As a validation of the model we have investigated the structure of water monolayers on metal substrates of various topology [the (111), (110), and (100) crystallographic faces] and composition (Pt, Ag, Cu, and Ni), and compared the results to experiments. The modeling of the electrostatic induction is compatible with a finite external potential imposed on the metal. This feature is used to investigate the structural rearrangements of the water bilayer between the pair of scanning tunneling microscope electrodes in response to an applied external voltage difference. We find significant asymmetry in the dependence on the sign of the applied voltage. Another result of the calculation is an estimate of the perturbation to the work function caused by the wetting film. For the conditions typical for operation of a scanning tunneling microscope probe, the change in the work function is found to be comparable to the applied voltage (a few hundred millivolts).

Mapping the electrostatic potential of Au nanoparticles using hybrid electron holography

Energy Technology Data Exchange (ETDEWEB)

Ozsoy-Keskinbora, Cigdem, E-mail: c.ozsoy@fkf.mpg.de [Stuttgart Center for Electron Microscopy, Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Boothroyd, Chris B.; Dunin-Borkowski, Rafal E. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, 52425 Jülich (Germany); Aken, Peter A. van [Stuttgart Center for Electron Microscopy, Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany); Koch, Christoph T. [Structure Research & Electron Microscopy group, Department of Physics, Humboldt University of Berlin, Newtonstraße 15, 12489 Berlin (Germany)

2016-06-15

Electron holography is a powerful technique for characterizing electrostatic potentials, charge distributions, electric and magnetic fields, strain distributions and semiconductor dopant distributions with sub-nm spatial resolution. Mapping internal electrostatic and magnetic fields within nanoparticles and other low-dimensional materials by TEM requires both high spatial resolution and high phase sensitivity. Carrying out such an analysis fully quantitatively is even more challenging, since artefacts such as dynamical electron scattering may strongly affect the measurement. In-line electron holography, one of the variants of electron holography, features high phase sensitivity at high spatial frequencies, but suffers from inefficient phase recovery at low spatial frequencies. Off-axis electron holography, in contrast, can recover low spatial frequency phase information much more reliably, but is less effective in retrieving phase information at high spatial frequencies when compared to in-line holography. We investigate gold nanoparticles using hybrid electron holography at both atomic-resolution and intermediate magnification. Hybrid electron holography is a novel technique that synergistically combines off-axis and in-line electron holography, allowing the measurement of the complex wave function describing the scattered electrons with excellent signal-to-noise properties at both high and low spatial frequencies. The effect of dynamical electron scattering is minimized by beam tilt averaging. - Highlights: • Hybrid electron holography approach applied to Au nanoparticles. • Proof of principle of atomic resolution hybrid electron holography experiment demonstrated. • Dynamical scattering artifacts decrease by varying the illumination direction. • The effect of the number of iterations and noise on the low spatial frequencies in the phase are discussed.

Mapping the electrostatic potential of Au nanoparticles using hybrid electron holography

International Nuclear Information System (INIS)

Ozsoy-Keskinbora, Cigdem; Boothroyd, Chris B.; Dunin-Borkowski, Rafal E.; Aken, Peter A. van; Koch, Christoph T.

2016-01-01

Electron holography is a powerful technique for characterizing electrostatic potentials, charge distributions, electric and magnetic fields, strain distributions and semiconductor dopant distributions with sub-nm spatial resolution. Mapping internal electrostatic and magnetic fields within nanoparticles and other low-dimensional materials by TEM requires both high spatial resolution and high phase sensitivity. Carrying out such an analysis fully quantitatively is even more challenging, since artefacts such as dynamical electron scattering may strongly affect the measurement. In-line electron holography, one of the variants of electron holography, features high phase sensitivity at high spatial frequencies, but suffers from inefficient phase recovery at low spatial frequencies. Off-axis electron holography, in contrast, can recover low spatial frequency phase information much more reliably, but is less effective in retrieving phase information at high spatial frequencies when compared to in-line holography. We investigate gold nanoparticles using hybrid electron holography at both atomic-resolution and intermediate magnification. Hybrid electron holography is a novel technique that synergistically combines off-axis and in-line electron holography, allowing the measurement of the complex wave function describing the scattered electrons with excellent signal-to-noise properties at both high and low spatial frequencies. The effect of dynamical electron scattering is minimized by beam tilt averaging. - Highlights: • Hybrid electron holography approach applied to Au nanoparticles. • Proof of principle of atomic resolution hybrid electron holography experiment demonstrated. • Dynamical scattering artifacts decrease by varying the illumination direction. • The effect of the number of iterations and noise on the low spatial frequencies in the phase are discussed.

Positively charged microporous ceramic membrane for the removal of Titan Yellow through electrostatic adsorption.

Science.gov (United States)

Cheng, Xiuting; Li, Na; Zhu, Mengfu; Zhang, Lili; Deng, Yu; Deng, Cheng

2016-06-01

To develop a depth filter based on the electrostatic adsorption principle, positively charged microporous ceramic membrane was prepared from a diatomaceous earth ceramic membrane. The internal surface of the highly porous ceramic membrane was coated with uniformly distributed electropositive nano-Y2O3 coating. The dye removal performance was evaluated through pressurized filtration tests using Titan Yellow aqueous solution. It showed that positively charged microporous ceramic membrane exhibited a flow rate of 421L/(m(2)·hr) under the trans-membrane pressure of 0.03bar. Moreover it could effectively remove Titan Yellow with feed concentration of 10mg/L between pH3 to 8. The removal rate increased with the enhancement of the surface charge properties with a maximum rejection of 99.6%. This study provides a new and feasible method of removing organic dyes in wastewater. It is convinced that there will be a broad market for the application of charged ceramic membrane in the field of dye removal or recovery from industry wastewater. Copyright © 2016. Published by Elsevier B.V.

Effects of neglecting carrier tunneling on electrostatic potential in calculating direct tunneling gate current in deep submicron MOSFETs

OpenAIRE

Hakim, MMA; Haque, A

2002-01-01

We investigate the validity of the assumption of neglecting carrier tunneling effects on self-consistent electrostatic potential in calculating direct tunneling gate current in deep submicron MOSFETs. Comparison between simulated and experimental results shows that for accurate modeling of direct tunneling current, tunneling effects on potential profile need to be considered. The relative error in gate current due to neglecting carrier tunneling is higher at higher gate voltages and increases...

Mechanical behavior analysis on electrostatically actuated rectangular microplates

Science.gov (United States)

Li, Zhikang; Zhao, Libo; Jiang, Zhuangde; Ye, Zhiying; Dai, Lu; Zhao, Yulong

2015-03-01

Microplates are widely used in various MEMS devices based on electrostatic actuation such as MEMS switches, micro pumps and capacitive micromachined ultrasonic transducers (CMUTs). Accurate predictions for the mechanical behavior of the microplate under electrostatic force are important not only for the design and optimization of these electrostatic devices but also for their operation. This paper presents a novel reduced-order model for electrostatically actuated rectangular and square microplates with a new method to treat the nonlinear electrostatic force. The model was developed using Galerkin method which turned the partial-differential equation governing the microplates into an ordinary equation system. Using this model and cosine-like deflection functions, explicit expressions were established for the deflection and pull-in voltage of the rectangular and square microplates. The theoretical results were well validated with the finite element method simulations and experimental data of literature. The expressions for the deflection analysis are able to predict the deflection up to the pull-in position with an error less than 5.0%. The expressions for the pull-in voltage analysis can determine the pull-in voltages with errors less than 1.0%. Additionally, the method to calculate the capacitance variation of the electrostatically actuated microplates was proposed. These theoretical analyses are helpful for design and optimization of electrostatically actuated microdevices.

Observation of potential barriers on barium strontium titanate PTCR ceramics by electrostatic force microscopy

International Nuclear Information System (INIS)

Manfredini, J.P.; Paulin Filho, P.I.; Gheno, S.M.

2011-01-01

A composition of PTCR ceramic based in barium titanate with isovalent replacement of part of barium by strontium using lanthanum and manganese as additives was investigated. The transition temperature, typical of these materials, was shifted below the room temperature by the presence of strontium, whose behavior was detected by tests of DC resistivity and impedance spectroscopy. The observation of potential barriers at grain boundaries was possible through the technique of electrostatic force microscopy (EFM). The results also showed the presence of space charges in regions inside grains, possibly at subgrain boundaries. (author)

Theoretical potential for low energy consumption phase change memory utilizing electrostatically-induced structural phase transitions in 2D materials

Science.gov (United States)

Rehn, Daniel A.; Li, Yao; Pop, Eric; Reed, Evan J.

2018-01-01

Structural phase-change materials are of great importance for applications in information storage devices. Thermally driven structural phase transitions are employed in phase-change memory to achieve lower programming voltages and potentially lower energy consumption than mainstream nonvolatile memory technologies. However, the waste heat generated by such thermal mechanisms is often not optimized, and could present a limiting factor to widespread use. The potential for electrostatically driven structural phase transitions has recently been predicted and subsequently reported in some two-dimensional materials, providing an athermal mechanism to dynamically control properties of these materials in a nonvolatile fashion while achieving potentially lower energy consumption. In this work, we employ DFT-based calculations to make theoretical comparisons of the energy required to drive electrostatically-induced and thermally-induced phase transitions. Determining theoretical limits in monolayer MoTe2 and thin films of Ge2Sb2Te5, we find that the energy consumption per unit volume of the electrostatically driven phase transition in monolayer MoTe2 at room temperature is 9% of the adiabatic lower limit of the thermally driven phase transition in Ge2Sb2Te5. Furthermore, experimentally reported phase change energy consumption of Ge2Sb2Te5 is 100-10,000 times larger than the adiabatic lower limit due to waste heat flow out of the material, leaving the possibility for energy consumption in monolayer MoTe2-based devices to be orders of magnitude smaller than Ge2Sb2Te5-based devices.

Calculations of the electrostatic potential adjacent to model phospholipid bilayers.

Science.gov (United States)

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

1995-03-01

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

A Direct Driver for Electrostatic Transducers

DEFF Research Database (Denmark)

Nielsen, Dennis; Knott, Arnold; Andersen, Michael A. E.

2014-01-01

Electrostatic transducers represent a very interesting alternative to the traditional inefficient electrodynamic transducers. In order to establish the full potential of these transducers, power amplifiers which fulfill the strict requirements imposed by such loads (high impedance, frequency...... depended, nonlinear and high bias voltage for linearization) must be developed. This paper analyzes a power stage suitable for driving an electrostatic transducer under biasing. Measurement results of a ±400 V prototype amplifier are shown. THD below 1% is reported....

The electrostatic atomization of hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Kelly, A J

1984-06-01

Exploitation of the unique and potentially beneficial characteristics of electrostatic atomization in combustion systems has foundered upon the inability of two element, diode devices to operate at flow rates that are larger than a fraction of a millilitre per second. This restriction has been attributed to the high innate electrical resistivity of hydrocarbon fuels. A discussion of proposed electrostatic fuel atomizers and their limitations is presented from the vantage of a recently developed theory of electrostatic spraying. Comparison of theory and experiment reveals the existence of a 'constant of spraying' and the presence of an operational regime in which low charge density droplet development is possible. Operation with hydrocarbons in this regime occurs when the mean droplet size is greater than or equal to 10 ..mu..m and fluid viscosity is below about 250 cp. The resulting spray has a mean droplet size that is functionally dependent only upon the free charge density level of the fluid. Consequently there is no theoretical impediment to the attainment of high flow rate electrostatic atomization with fluids of arbitrary conductivity. Implementation is achieved by a general class of electrostatic spray devices which employ direct charge injection. The Spray Triode, a submerged field-emission electron gun, represents a particularly simple member of this new class of atomizer. Among the Spray Triode operational characteristics to be discussed is insensitivity to spray fluid properties and flow rate.

Bohm potential effect on the propagation of electrostatic surface wave in semi-bounded quantum plasmas

Energy Technology Data Exchange (ETDEWEB)

Lee, Myoung-Jae [Department of Physics, Hanyang University, Seoul 04763 (Korea, Republic of); Research Institute for Natural Sciences, Hanyang University, Seoul 04763 (Korea, Republic of); Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr [Department of Applied Physics and Department of Bionanotechnology, Hanyang University, Ansan, Kyunggi-Do 15588 (Korea, Republic of); Department of Electrical and Computer Engineering, MC 0407, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0407 (United States)

2017-02-12

High frequency electrostatic wave propagation in a dense and semi-bounded electron quantum plasma is investigated with consideration of the Bohm potential. The dispersion relation for the surface mode of quantum plasma is derived and numerically analyzed. We found that the quantum effect enhances the frequency of the wave especially in the high wave number regime. However, the frequency of surface wave is found to be always lower than that of the bulk wave for the same quantum wave number. The group velocity of the surface wave for various quantum wave number is also obtained. - Highlights: • High frequency electrostatic wave propagation is investigated in a dense semi-bounded quantum plasma. • The dispersion relation for the surface mode of quantum plasma is derived and numerically analyzed. • The quantum effect enhances the frequency of the wave especially in the high wave number regime. • The frequency of surface wave is found to be always lower than that of the bulk wave. • The group velocity of the surface wave for various quantum wave number is also obtained.

particle simulation for electrostatic oscillation of virtual cathode in relativistic electron beams

International Nuclear Information System (INIS)

Chen Deming; Wang Min

1990-01-01

The virtual cathode oscillation in relativistic electron beams is studied by a 1-D electrostatic particle simulation code with finite-size-particle model. When injection current is less than the space charge limiting current, electron beam propagates stably and transsmits completely. When injection current exceeds the space charge limit, its propagation is unstable, a part of electrons reflect and the other electrons transsmit. The position and potential of the virtual cathode caused by space charge effects oscillate periodically. When the beam current increases, the virtual cathode position closer to the injection plane and its oscillating region gets narrower, the virtual cathode potential decreases and its amplitude increases, the oscillation frequency increases above the beam plasma frequency

Electrostatic tuning of permeation and selectivity in aquaporin water channels

DEFF Research Database (Denmark)

Jensen, Mogens O Stibius; Tajkhorshid, E.; Schulten, K.

2003-01-01

Water permeation and electrostatic interactions between water and channel are investigated in the Escherichia coli glycerol uptake facilitator GlpF, a member of the aquaporin water channel family, by molecular dynamics simulations. A tetrameric model of the channel embedded in a 16:0/ 18:1c9...... with the protein electrostatic fields enforce a bipolar water configuration inside the channel with dipole inversion at the NPA motifs. At the NPA motifs water-protein electrostatic interactions facilitate this inversion. Furthermore, water-water electrostatic interactions are in all regions inside the channel...... stronger than water-protein interactions, except near a conserved, positively charged Arg residue. We find that variations of the protein electrostatic field through the channel, owing to preserved structural features, completely explain the bipolar orientation of water. This orientation persists despite...

An efficient numerical approach to electrostatic microelectromechanical system simulation

International Nuclear Information System (INIS)

Pu, Li

2009-01-01

Computational analysis of electrostatic microelectromechanical systems (MEMS) requires an electrostatic analysis to compute the electrostatic forces acting on micromechanical structures and a mechanical analysis to compute the deformation of micromechanical structures. Typically, the mechanical analysis is performed on an undeformed geometry. However, the electrostatic analysis is performed on the deformed position of microstructures. In this paper, a new efficient approach to self-consistent analysis of electrostatic MEMS in the small deformation case is presented. In this approach, when the microstructures undergo small deformations, the surface charge densities on the deformed geometry can be computed without updating the geometry of the microstructures. This algorithm is based on the linear mode shapes of a microstructure as basis functions. A boundary integral equation for the electrostatic problem is expanded into a Taylor series around the undeformed configuration, and a new coupled-field equation is presented. This approach is validated by comparing its results with the results available in the literature and ANSYS solutions, and shows attractive features comparable to ANSYS. (general)

Mechanical behavior analysis on electrostatically actuated rectangular microplates

International Nuclear Information System (INIS)

Li, Zhikang; Zhao, Libo; Jiang, Zhuangde; Ye, Zhiying; Zhao, Yulong; Dai, Lu

2015-01-01

Microplates are widely used in various MEMS devices based on electrostatic actuation such as MEMS switches, micro pumps and capacitive micromachined ultrasonic transducers (CMUTs). Accurate predictions for the mechanical behavior of the microplate under electrostatic force are important not only for the design and optimization of these electrostatic devices but also for their operation. This paper presents a novel reduced-order model for electrostatically actuated rectangular and square microplates with a new method to treat the nonlinear electrostatic force. The model was developed using Galerkin method which turned the partial-differential equation governing the microplates into an ordinary equation system. Using this model and cosine-like deflection functions, explicit expressions were established for the deflection and pull-in voltage of the rectangular and square microplates. The theoretical results were well validated with the finite element method simulations and experimental data of literature. The expressions for the deflection analysis are able to predict the deflection up to the pull-in position with an error less than 5.0%. The expressions for the pull-in voltage analysis can determine the pull-in voltages with errors less than 1.0%. Additionally, the method to calculate the capacitance variation of the electrostatically actuated microplates was proposed. These theoretical analyses are helpful for design and optimization of electrostatically actuated microdevices. (paper)

The two sides of complement C3d: evolution of electrostatics in a link between innate and adaptive immunity.

Science.gov (United States)

Kieslich, Chris A; Morikis, Dimitrios

2012-01-01

The interaction between complement fragment C3d and complement receptor 2 (CR2) is a key aspect of complement immune system activation, and is a component in a link between innate and adaptive immunities. The complement immune system is an ancient mechanism for defense, and can be found in species that have been on Earth for the last 600 million years. However, the link between the complement system and adaptive immunity, which is formed through the association of the B-cell co-receptor complex, including the C3d-CR2 interaction, is a much more recent adaptation. Human C3d and CR2 have net charges of -1 and +7 respectively, and are believed to have evolved favoring the role of electrostatics in their functions. To investigate the role of electrostatics in the function and evolution of human C3d and CR2, we have applied electrostatic similarity methods to identify regions of evolutionarily conserved electrostatic potential based on 24 homologues of complement C3d and 4 homologues of CR2. We also examine the effects of structural perturbation, as introduced through molecular dynamics and mutations, on spatial distributions of electrostatic potential to identify perturbation resistant regions, generated by so-called electrostatic "hot-spots". Distributions of electrostatic similarity based on families of perturbed structures illustrate the presence of electrostatic "hot-spots" at the two functional sites of C3d, while the surface of CR2 lacks electrostatic "hot-spots" despite its excessively positive nature. We propose that the electrostatic "hot-spots" of C3d have evolved to optimize its dual-functionality (covalently attaching to pathogen surfaces and interaction with CR2), which are both necessary for the formation B-cell co-receptor complexes. Comparison of the perturbation resistance of the electrostatic character of the homologues of C3d suggests that there was an emergence of a new role of electrostatics, and a transition in the function of C3d, after the

The two sides of complement C3d: evolution of electrostatics in a link between innate and adaptive immunity.

Directory of Open Access Journals (Sweden)

Chris A Kieslich

Full Text Available The interaction between complement fragment C3d and complement receptor 2 (CR2 is a key aspect of complement immune system activation, and is a component in a link between innate and adaptive immunities. The complement immune system is an ancient mechanism for defense, and can be found in species that have been on Earth for the last 600 million years. However, the link between the complement system and adaptive immunity, which is formed through the association of the B-cell co-receptor complex, including the C3d-CR2 interaction, is a much more recent adaptation. Human C3d and CR2 have net charges of -1 and +7 respectively, and are believed to have evolved favoring the role of electrostatics in their functions. To investigate the role of electrostatics in the function and evolution of human C3d and CR2, we have applied electrostatic similarity methods to identify regions of evolutionarily conserved electrostatic potential based on 24 homologues of complement C3d and 4 homologues of CR2. We also examine the effects of structural perturbation, as introduced through molecular dynamics and mutations, on spatial distributions of electrostatic potential to identify perturbation resistant regions, generated by so-called electrostatic "hot-spots". Distributions of electrostatic similarity based on families of perturbed structures illustrate the presence of electrostatic "hot-spots" at the two functional sites of C3d, while the surface of CR2 lacks electrostatic "hot-spots" despite its excessively positive nature. We propose that the electrostatic "hot-spots" of C3d have evolved to optimize its dual-functionality (covalently attaching to pathogen surfaces and interaction with CR2, which are both necessary for the formation B-cell co-receptor complexes. Comparison of the perturbation resistance of the electrostatic character of the homologues of C3d suggests that there was an emergence of a new role of electrostatics, and a transition in the function of C3

Compact electrostatic comb actuator

Science.gov (United States)

Rodgers, M. Steven; Burg, Michael S.; Jensen, Brian D.; Miller, Samuel L.; Barnes, Stephen M.

2000-01-01

A compact electrostatic comb actuator is disclosed for microelectromechanical (MEM) applications. The actuator is based upon a plurality of meshed electrostatic combs, some of which are stationary and others of which are moveable. One or more restoring springs are fabricated within an outline of the electrostatic combs (i.e. superposed with the moveable electrostatic combs) to considerably reduce the space required for the actuator. Additionally, a truss structure is provided to support the moveable electrostatic combs and prevent bending or distortion of these combs due to unbalanced electrostatic forces or external loading. The truss structure formed about the moveable electrostatic combs allows the spacing between the interdigitated fingers of the combs to be reduced to about one micron or less, thereby substantially increasing the number of active fingers which can be provided in a given area. Finally, electrostatic shields can be used in the actuator to substantially reduce unwanted electrostatic fields to further improve performance of the device. As a result, the compact electrostatic comb actuator of the present invention occupies only a fraction of the space required for conventional electrostatic comb actuators, while providing a substantial increase in the available drive force (up to one-hundred times).

Optics elements for modeling electrostatic lenses and accelerator components: III. Electrostatic deflectors

International Nuclear Information System (INIS)

Brown, T.A.; Gillespie, G.H.

2000-01-01

Ion-beam optics models for simulating electrostatic prisms (deflectors) of different geometries have been developed for the envelope (matrix) computer code TRACE 3-D as a part of the development of a suite of electrostatic beamline element models which includes lenses, acceleration columns, quadrupoles and prisms. The models for electrostatic prisms are described in this paper. The electrostatic prism model options allow the first-order modeling of cylindrical, spherical and toroidal electrostatic deflectors. The application of these models in the development of ion-beam transport systems is illustrated through the modeling of a spherical electrostatic analyzer as a component of the new low-energy beamline at the Center for Accelerator Mass Spectrometry. Although initial tests following installation of the new beamline showed that the new spherical electrostatic analyzer was not behaving as predicted by these first-order models, operational conditions were found under which the analyzer now works properly as a double-focusing spherical electrostatic prism

Atomic processes in Inertial Electrostatic Confinement (IEC) devices

International Nuclear Information System (INIS)

Nebel, R.A.; Turner, L.; Tiouririne, T.N.; Barnes, D.C.; Nystrom, W.D.; Bussard, R.W.; Miley, G.H.; Javedani, J.; Yamamoto, Y.

1993-01-01

Inertial Electrostatic Confinement (IEC) is one of the earliest plasma confinement concepts, having first been suggested by P. T. Farnsworth in the 1950s. The concept involves a simple apparatus of concentric spherical electrostatic grids or a combination of grids and magnetic fields. An electrostatic structure is formed from the confluence of electron or ion beams. Gridded IEC systems have demonstrated neutron yields as high as 2*10 10 neutrons/sec. These systems have considerable potential as small, inexpensive, portable neutron sources for assaying applications. Neutron tomography is also a potential application. Atomic physics effects strongly influence the performance of all of these systems. Important atomic effects include elastic scattering, ionization, excitation, and charge exchange. This paper discusses how an IEC system is influenced by these effects and how to design around them. Theoretical modeling and experimental results are presented

Optics Elements for Modeling Electrostatic Lenses and Accelerator Components: III. Electrostatic Deflectors

International Nuclear Information System (INIS)

Brown, T.A.; Gillespie, G.H.

1999-01-01

Ion-beam optics models for simulating electrostatic prisms (deflectors) of different geometries have been developed for the computer code TRACE 3-D. TRACE 3-D is an envelope (matrix) code, which includes a linear space charge model, that was originally developed to model bunched beams in magnetic transport systems and radiofrequency (RF) accelerators. Several new optical models for a number of electrostatic lenses and accelerator columns have been developed recently that allow the code to be used for modeling beamlines and accelerators with electrostatic components. The new models include a number of options for: (1) Einzel lenses, (2) accelerator columns, (3) electrostatic prisms, and (4) electrostatic quadrupoles. A prescription for setting up the initial beam appropriate to modeling 2-D (continuous) beams has also been developed. The models for electrostatic prisms are described in this paper. The electrostatic prism model options allow the modeling of cylindrical, spherical, and toroidal electrostatic deflectors. The application of these models in the development of ion-beam transport systems is illustrated through the modeling of a spherical electrostatic analyzer as a component of the new low energy beamline at CAMS

Electrostatic energies of crystals in space of arbitrary dimension

International Nuclear Information System (INIS)

Takemoto, Hiroki; Tohsaki, Akihiro

2005-01-01

We present a new method to evaluate electrostatic energies under periodic boundary conditions. The lattice sum of Coulomb potentials is expressed through the elliptic Q function of the third kind. This enables us to evaluate electrostatic energies of ionic crystals very accurately and with very rapid convergence. In particular, we study the dimensionality of the electrostatic energies of NaCl-type and CsCl-type crystals, whose expressions are functions of the spatial dimension treated as a real number. Furthermore, the expressions we obtain are applicable to computational simulations using molecular dynamics and Monte Carlo methods. We generate random distributions of point charges under periodic boundary conditions, and we analyze the randomness and its anisotropy on the basis of potential distributions. (author)

Large electrostatic accelerators

International Nuclear Information System (INIS)

Jones, C.M.

1984-01-01

The paper is divided into four parts: a discussion of the motivation for the construction of large electrostatic accelerators, a description and discussion of several large electrostatic accelerators which have been recently completed or are under construction, a description of several recent innovations which may be expected to improve the performance of large electrostatic accelerators in the future, and a description of an innovative new large electrostatic accelerator whose construction is scheduled to begin next year

Coulomb torque - a general theory for electrostatic forces in many-body systems

International Nuclear Information System (INIS)

Khachatourian, Armik V M; Wistrom, Anders O

2003-01-01

In static experiments that comprise three conducting spheres suspended by torsion wires and held at constant electric potential, a net angular displacement about their centres has been observed. We demonstrate that the observed rotation is consistent with Coulomb's law of electrical forces complemented by Gauss' surface integrals for electrical potential. Analysis demonstrates that electrostatic torque is the result of electrostatic forces acting on an asymmetric distribution of charges residing on the surfaces of the spheres. The asymptotic value for electrostatic torque is proportional to the inverse of the fourth power of separation distance with the rotation direction, up or down taken perpendicular to a plane passing through sphere centres, given explicitly by the equation for torque. The identification of electrostatic torque prompts further analysis of models of matter at all size scales where electrostatic forces are the dominant operative force

Coulomb torque - a general theory for electrostatic forces in many-body systems

CERN Document Server

Khachaturian, A V M

2003-01-01

In static experiments that comprise three conducting spheres suspended by torsion wires and held at constant electric potential, a net angular displacement about their centres has been observed. We demonstrate that the observed rotation is consistent with Coulomb's law of electrical forces complemented by Gauss' surface integrals for electrical potential. Analysis demonstrates that electrostatic torque is the result of electrostatic forces acting on an asymmetric distribution of charges residing on the surfaces of the spheres. The asymptotic value for electrostatic torque is proportional to the inverse of the fourth power of separation distance with the rotation direction, up or down taken perpendicular to a plane passing through sphere centres, given explicitly by the equation for torque. The identification of electrostatic torque prompts further analysis of models of matter at all size scales where electrostatic forces are the dominant operative force.

Focusing properties of a square electrostatic rainbow lens

International Nuclear Information System (INIS)

Telečki, I.; Petrović, S.; Beličev, P.; Rađenović, B.; Balvanović, R.; Bojović, B.; Nešković, N.

2012-01-01

This paper is devoted to the focusing properties of a square electrostatic rainbow lens, which is a novel ion beam optical element. We consider the transmission of parallel and non-parallel proton beams of the initial kinetic energy of 10 keV through this lens. The potential of the electrodes of the lens is chosen to be 2 kV. The electrostatic potential and components of the electric field in the region of the lens are calculated using a three-dimensional finite element computer code. We investigate the spatial and angular distributions of protons propagating through the lens and in the drift space after it. It is confirmed that the evolutions of these distributions are determined by the evolutions of the corresponding rainbow lines, generated using the theory of crystal rainbows. The beam is separated into two components. One beam component, appearing as a beam core, is generated dominantly by the focused protons. Its boundary line in the transverse position plane can be very well approximated by a hypotrochoid. The other beam component is generated dominantly by the defocused protons. We present the focusing coefficient of the lens, the confining coefficients of the lens for the focused and defocused protons, the density of the beam core, the vertical or horizontal emittance of the beam core, and the brightness of the beam core.

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

Science.gov (United States)

Ghosh, Uddipta; Chakraborty, Suman

2016-06-01

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

Chromatic aberrations of electrostatic axisymmetric lenses produced by circular cylinders

International Nuclear Information System (INIS)

Baranova, L.A.; Ul'yanova, N.S.; Yavor, S.Ya.

1989-01-01

Ion beams both to test material and for technological processes have being used lately in science and technology more and more. Electrostatic lenses are used, as a rule, for such beam production. Coefficients of chromatic aberrration for a wide range of changes in lense parameters are calculated on the basis of analytical expressions to determine the potential in immerse and isolated lenses. The chromatic aberration coefficient is presented as a polynomial according to the degrees of reverse increase, that permits to calculate a circle of blurring of subject arbitrary position

Electrostatic assembly/disassembly of nanoscaled colloidosomes for light-triggered cargo release

KAUST Repository

Li, Song

2015-04-27

Colloidosome capsules possess the potential for the encapsulation and release of molecular and macromolecular cargos. However, the stabilization of the colloidosome shell usually requires an additional covalent crosslinking which irreversibly seals the capsules, and greatly limits their applications in large-cargos release. Herein we report nanoscaled colloidosomes designed by the electrostatic assembly of organosilica nanoparticles (NPs) with oppositely charged surfaces (rather than covalent bonds), arising from different contents of a bridged nitrophenylene-alkoxysilane [NB; 3-nitro-N-(3-(triethoxysilyl)propyl)-4-(((3-(triethoxysilyl)propyl)-amino)methyl)benzamid] derivative in the silica. The surface charge of the positively charged NPs was reversed by light irradiation because of a photoreaction in the NB moieties, which impacted the electrostatic interactions between NPs and disassembled the colloidosome nanosystems. This design was successfully applied for the encapsulation and light-triggered release of cargos. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diffusion properties of a guiding center plasma in a model electrostatic turbulence

International Nuclear Information System (INIS)

Pettini, M.; Vulpiani, A.; Misguich, J.H.; Balescu, R.; De Leener, M.; Orban, J.

1986-01-01

Numerical simulations have been performed to calculate the diffusion coefficient of several hundreds of charged particles across a strong magnetic field B, due to a known spectrum of electrostatic fluctuations. The results have been compared with the turbulent diffusion theory proposed by Misguich et al. The equation of motion is solved with a model electrostatic potential. This potential is also the Hamiltonian of this chaotic non-autonomous system: positive Lyapunov exponents are found in qualitative agreement with theoretical predictions. The absolute diffusion coefficients found in two different models exhibit a transition between two scaling regions: a classical scaling at low amplitudes (D ∼ E 2 /B 2 ), and a Bohm scaling at higher amplitudes (D ∼ E/B), in agreement with the predictions for these models. The value of the diffusion coefficient obtained in the isotropic model shows a satisfactory agreement with the theory. The study of the relative diffusion of initially close particles yields a clear quantitative confirmation of the clump effect and of the validity of the theoretical treatment of such nonlinearities. (26 fig, 20 refs)

Electrostatics of Pharmaceutical Aerosols for Pulmonary Delivery.

Science.gov (United States)

Lip Kwok, Philip Chi

2015-01-01

This paper provides a review on key research findings in the rapidly developing area of pharmaceutical aerosol electrostatics. Solids and liquids can become charged without electric fields, the former by contact or friction and the latter by flowing or spraying. Therefore, charged particles and droplets carrying net charges are produced from pharmaceutical inhalers (e.g. dry powder inhalers, metered dose inhalers, and nebulisers) due to the mechanical processes involved in aerosolisation. The charging depends on many physicochemical factors, such as formulation composition, solid state properties, inhaler material and design, and relative humidity. In silico, in vitro, and limited in vivo studies have shown that electrostatic charges may potentially influence particle deposition in the airways. However, the evidence is not yet conclusive. Furthermore, there are currently no regulatory requirements on the characterisation and control of the electrostatic properties of inhaled formulations. Besides the need for further investigations on the relationship between physicochemical factors and charging characteristics of the aerosols, controlled and detailed in vivo studies are also required to confirm whether charges can affect particle deposition in the airways. Since pharmaceutical aerosol electrostatics is a relatively new research area, much remains to be explored. Thus there is certainly potential for development. New findings in the future may contribute to the advancement of pharmaceutical aerosol formulations and respiratory drug delivery.

Characteristics of electrostatic solitary waves observed in the plasma sheet boundary: Statistical analyses

Directory of Open Access Journals (Sweden)

H. Kojima

1999-01-01

Full Text Available We present the characteristics of the Electrostatic Solitary Waves (ESW observed by the Geotail spacecraft in the plasma sheet boundary layer based on the statistical analyses. We also discuss the results referring to a model of ESW generation due to electron beams, which is proposed by computer simulations. In this generation model, the nonlinear evolution of Langmuir waves excited by electron bump-on-tail instabilities leads to formation of isolated electrostatic potential structures corresponding to "electron hole" in the phase space. The statistical analyses of the Geotail data, which we conducted under the assumption that polarity of ESW potentials is positive, show that most of ESW propagate in the same direction of electron beams, which are observed by the plasma instrument, simultaneously. Further, we also find that the ESW potential energy is much smaller than the background electron thermal energy and that the ESW potential widths are typically shorter than 60 times of local electron Debye length when we assume that the ESW potentials travel in the same velocity of electron beams. These results are very consistent with the ESW generation model that the nonlinear evolution of electron bump-on-tail instability leads to the formation of electron holes in the phase space.

Electrostatic attraction between overall neutral surfaces.

Science.gov (United States)

Adar, Ram M; Andelman, David; Diamant, Haim

2016-08-01

Two overall neutral surfaces with positively and negatively charged domains ("patches") have been shown in recent experiments to exhibit long-range attraction when immersed in an ionic solution. Motivated by the experiments, we calculate analytically the osmotic pressure between such surfaces within the Poisson-Boltzmann framework, using a variational principle for the surface-averaged free energy. The electrostatic potential, calculated beyond the linear Debye-Hückel theory, yields an overall attraction at large intersurface separations, over a wide range of the system's controlled length scales. In particular, the attraction is stronger and occurs at smaller separations for surface patches of larger size and charge density. In this large patch limit, we find that the attraction-repulsion crossover separation is inversely proportional to the square of the patch-charge density and to the Debye screening length.

Electrostatic stabilizer for a passive magnetic bearing system

Science.gov (United States)

Post, Richard F.

2015-11-24

Electrostatic stabilizers are provided for passive bearing systems composed of annular magnets having a net positive stiffness against radial displacements and that have a negative stiffness for vertical displacements, resulting in a vertical instability. Further embodiments are shown of a radial electrostatic stabilizer geometry (using circuitry similar to that employed in the vertical stabilizer). This version is suitable for stabilizing radial (lateral) displacements of a rotor that is levitated by annular permanent magnets that are stable against vertical displacements but are unstable against radial displacements.

Ballistic Jumping Drops on Superhydrophobic Surfaces via Electrostatic Manipulation.

Science.gov (United States)

Li, Ning; Wu, Lei; Yu, Cunlong; Dai, Haoyu; Wang, Ting; Dong, Zhichao; Jiang, Lei

2018-02-01

The ballistic ejection of liquid drops by electrostatic manipulating has both fundamental and practical implications, from raindrops in thunderclouds to self-cleaning, anti-icing, condensation, and heat transfer enhancements. In this paper, the ballistic jumping behavior of liquid drops from a superhydrophobic surface is investigated. Powered by the repulsion of the same kind of charges, water drops can jump from the surface. The electrostatic acting time for the jumping of a microliter supercooled drop only takes several milliseconds, even shorter than the time for icing. In addition, one can control the ballistic jumping direction precisely by the relative position above the electrostatic field. The approach offers a facile method that can be used to manipulate the ballistic drop jumping via an electrostatic field, opening the possibility of energy efficient drop detaching techniques in various applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A small-gap electrostatic micro-actuator for large deflections

Science.gov (United States)

Conrad, Holger; Schenk, Harald; Kaiser, Bert; Langa, Sergiu; Gaudet, Matthieu; Schimmanz, Klaus; Stolz, Michael; Lenz, Miriam

2015-01-01

Common quasi-static electrostatic micro actuators have significant limitations in deflection due to electrode separation and unstable drive regions. State-of-the-art electrostatic actuators achieve maximum deflections of approximately one third of the electrode separation. Large electrode separation and high driving voltages are normally required to achieve large actuator movements. Here we report on an electrostatic actuator class, fabricated in a CMOS-compatible process, which allows high deflections with small electrode separation. The concept presented makes the huge electrostatic forces within nanometre small electrode separation accessible for large deflections. Electrostatic actuations that are larger than the electrode separation were measured. An analytical theory is compared with measurement and simulation results and enables closer understanding of these actuators. The scaling behaviour discussed indicates significant future improvement on actuator deflection. The presented driving concept enables the investigation and development of novel micro systems with a high potential for improved device and system performance. PMID:26655557

Stray capacitances in the watt balance operation: electrostatic forces

DEFF Research Database (Denmark)

Quagliotti, Danilo; Mana, G.

2014-01-01

In a watt balance, stray capacitances exist between the coil and the magnet. Since the electric current flowing in the coil creates a difference in electric potentials between the coil and magnet, their electrostatic interactions must be taken into account. This paper reports the results of a fin......In a watt balance, stray capacitances exist between the coil and the magnet. Since the electric current flowing in the coil creates a difference in electric potentials between the coil and magnet, their electrostatic interactions must be taken into account. This paper reports the results...

Reactivity of etoricoxib based on computational study of molecular orbitals, molecular electrostatic potential surface and Mulliken charge analysis

Science.gov (United States)

Sachdeva, Ritika; Soni, Abhinav; Singh, V. P.; Saini, G. S. S.

2018-05-01

Etoricoxib is one of the selective cyclooxygenase inhibitor drug which plays a significant role in the pharmacological management of arthritis and pain. The theoretical investigation of its reactivity is done using Density Functional Theory calculations. Molecular Electrostatic Potential Surface of etoricoxib and its Mulliken atomic charge distribution are used for the prediction of its electrophilic and nucleophilic sites. The detailed analysis of its frontier molecular orbitals is also done.

Embedding beyond electrostatics

DEFF Research Database (Denmark)

Nåbo, Lina J.; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna

2016-01-01

We study excited states of cholesterol in solution and show that, in this specific case, solute wave-function confinement is the main effect of the solvent. This is rationalized on the basis of the polarizable density embedding scheme, which in addition to polarizable embedding includes non-electrostatic...... repulsion that effectively confines the solute wave function to its cavity. We illustrate how the inclusion of non-electrostatic repulsion results in a successful identification of the intense π → π∗ transition, which was not possible using an embedding method that only includes electrostatics....... This underlines the importance of non-electrostatic repulsion in quantum-mechanical embedding-based methods....

Measurements of strongly localized potential well profiles in an inertial electrostatic fusion neutron source

International Nuclear Information System (INIS)

Yoshikawa, K.; Takiyama, K.; Koyama, T.

2001-01-01

Direct measurements of localized electric fields are made by the laser-induced fluorescence (LIF) method by use of the Stark effects in the central cathode core region of an Inertial-Electrostatic Confinement Fusion (IECF) neutron (proton) source, which is expected for various applications, such as luggage security inspection, non-destructive testing, land mine detector, or positron emitter production for cancer detection, currently producing continuously about 10 7 n/sec D-D neutrons. Since 1967 when the first fusion reaction was successfully proved experimentally in a very compact IECF device, potential well formation due to space charge associated with spherically converging ion beams has been a central key issue to be clarified in the beam-beam colliding fusion, which is the major mechanism of the IECF neutron source. Many experiments, but indirect, were made so far to clarify the potential well, but none of them produced definitive evidence, however. Results by the present LIF method show a double well potential profile with a slight concave for ion beams with relatively larger angular momenta, whereas for ions with smaller angular momenta, potential but much steeper peak to develop. (author)

Electrostatics of aquaporin and aquaglyceroporin channels correlates with their transport selectivity

Science.gov (United States)

Oliva, Romina; Calamita, Giuseppe; Thornton, Janet M.; Pellegrini-Calace, Marialuisa

2010-01-01

Aquaporins are homotetrameric channel proteins, which allow the diffusion of water and small solutes across biological membranes. According to their transport function, aquaporins can be divided into “orthodox aquaporins”, which allow the flux of water molecules only, and “aquaglyceroporins”, which facilitate the diffusion of glycerol and other small solutes in addition to water. The contribution of individual residues in the pore to the selectivity of orthodox aquaporins and aquaglyceroporins is not yet fully understood. To gain insights into aquaporin selectivity, we focused on the sequence variation and electrostatics of their channels. The continuum Poisson-Boltzmann electrostatic potential along the channel was calculated and compared for ten three-dimensional-structures which are representatives of different aquaporin subfamilies, and a panel of functionally characterized mutants, for which high-accuracy three-dimensional-models could be derived. Interestingly, specific electrostatic profiles associated with the main selectivity to water or glycerol could be identified. In particular: (i) orthodox aquaporins showed a distinctive electrostatic potential maximum at the periplasmic side of the channel around the aromatic/Arg (ar/R) constriction site; (ii) aquaporin-0 (AQP0), a mammalian aquaporin with considerably low water permeability, had an additional deep minimum at the cytoplasmic side; (iii) aquaglyceroporins showed a rather flat potential all along the channel; and (iv) the bifunctional protozoan PfAQP had an unusual all negative profile. Evaluation of electrostatics of the mutants, along with a thorough sequence analysis of the aquaporin pore-lining residues, illuminated the contribution of specific residues to the electrostatics of the channels and possibly to their selectivity. PMID:20147624

Electrostatic behavior of the charge-regulated bacterial cell surface.

Science.gov (United States)

Hong, Yongsuk; Brown, Derick G

2008-05-06

The electrostatic behavior of the charge-regulated surfaces of Gram-negative Escherichia coli and Gram-positive Bacillus brevis was studied using numerical modeling in conjunction with potentiometric titration and electrophoretic mobility data as a function of solution pH and electrolyte composition. Assuming a polyelectrolytic polymeric bacterial cell surface, these experimental and numerical analyses were used to determine the effective site numbers of cell surface acid-base functional groups and Ca(2+) sorption coefficients. Using effective site concentrations determined from 1:1 electrolyte (NaCl) experimental data, the charge-regulation model was able to replicate the effects of 2:1 electrolyte (CaCl(2)), both alone and as a mixture with NaCl, on the measured zeta potential using a single Ca(2+) surface binding constant for each of the bacterial species. This knowledge is vital for understanding how cells respond to changes in solution pH and electrolyte composition as well as how they interact with other surfaces. The latter is especially important due to the widespread use of the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory in the interpretation of bacterial adhesion. As surface charge and surface potential both vary on a charge-regulated surface, accurate modeling of bacterial interactions with surfaces ultimately requires use of an electrostatic model that accounts for the charge-regulated nature of the cell surface.

Electrostatic dry powder prepregging of carbon fiber

Science.gov (United States)

Throne, James L.; Sohn, Min-Seok

1990-01-01

Ultrafine, 5-10 micron polymer-matrix resin powders are directly applied to carbon fiber tows by passing then in an air or nitrogen stream through an electrostatic potential; the particles thus charged will strongly adhere to grounded carbon fibers, and can be subsequently fused to the fiber in a continuously-fed radiant oven. This electrostatic technique derived significant end-use mechanical property advantages from the obviation of solvents, binders, and other adulterants. Additional matrix resins used to produce prepregs to date have been PMR-15, Torlon 40000, and LaRC TPI.

Electrostatic Model Applied to ISS Charged Water Droplet Experiment

Science.gov (United States)

Stevenson, Daan; Schaub, Hanspeter; Pettit, Donald R.

2015-01-01

The electrostatic force can be used to create novel relative motion between charged bodies if it can be isolated from the stronger gravitational and dissipative forces. Recently, Coulomb orbital motion was demonstrated on the International Space Station by releasing charged water droplets in the vicinity of a charged knitting needle. In this investigation, the Multi-Sphere Method, an electrostatic model developed to study active spacecraft position control by Coulomb charging, is used to simulate the complex orbital motion of the droplets. When atmospheric drag is introduced, the simulated motion closely mimics that seen in the video footage of the experiment. The electrostatic force's inverse dependency on separation distance near the center of the needle lends itself to analytic predictions of the radial motion.

Electrostatic Self-Assembly of Polysaccharides into Nanofibers

DEFF Research Database (Denmark)

Mendes, Ana Carina Loureiro; Strohmenger, Timm; Goycoolea, Francisco

2017-01-01

In this study, the anionic polysaccharide Xanthan gum (X) was mixed with positively charged Chitosan oligomers (ChO), and used as building blocks, to generate novel nanofibers by electrostatic self-assembly in aqueous conditions. Different concentrations, ionic strength and order of mixing of both...

Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

Science.gov (United States)

Mansoori Kermani, Maryam; Dehestani, Maryam

2018-06-01

We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

Science.gov (United States)

Mansoori Kermani, Maryam; Dehestani, Maryam

2018-03-01

We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

Effects of electrostatic trapping on neoclassical transport in an impure plasma

International Nuclear Information System (INIS)

Hazeltine, R.D.; Ware, A.A.

1976-01-01

Contamination of a toroidally confined plasma by highly charged impurity ions can produce substantial variation of the electrostatic potential within a magnetic surface. The resulting electrostatic trapping and electrostatic drifts, of hydrogen ions and electrons, yields significant alterations in neoclassical transport theory. A transport theory which includes these effects is derived from the drift-kinetic equation, with an ordering scheme modeled on the parameters of recent tokamak experiments. The theory self-consistently predicts that electrostatic trapping should be fully comparable to magnetic trapping, and provides transport coefficients which, depending quadratically upon the temperature and pressure gradients, differ markedly from the standard neoclassical coefficients for a pure plasma

Stability, Nonlinearity and Reliability of Electrostatically Actuated MEMS Devices

Directory of Open Access Journals (Sweden)

Di Chen

2007-05-01

Full Text Available Electrostatic micro-electro-mechanical system (MEMS is a special branch with a wide range of applications in sensing and actuating devices in MEMS. This paper provides a survey and analysis of the electrostatic force of importance in MEMS, its physical model, scaling effect, stability, nonlinearity and reliability in detail. It is necessary to understand the effects of electrostatic forces in MEMS and then many phenomena of practical importance, such as pull-in instability and the effects of effective stiffness, dielectric charging, stress gradient, temperature on the pull-in voltage, nonlinear dynamic effects and reliability due to electrostatic forces occurred in MEMS can be explained scientifically, and consequently the great potential of MEMS technology could be explored effectively and utilized optimally. A simplified parallel-plate capacitor model is proposed to investigate the resonance response, inherent nonlinearity, stiffness softened effect and coupled nonlinear effect of the typical electrostatically actuated MEMS devices. Many failure modes and mechanisms and various methods and techniques, including materials selection, reasonable design and extending the controllable travel range used to analyze and reduce the failures are discussed in the electrostatically actuated MEMS devices. Numerical simulations and discussions indicate that the effects of instability, nonlinear characteristics and reliability subjected to electrostatic forces cannot be ignored and are in need of further investigation.

Temperature Controlled Electrostatic Disorder and Polymorphism in Ultrathin Films of α-Sexithiophene

Science.gov (United States)

Hoffman, Benjamin; Jafari, Sara; McAfee, Terry; Apperson, Aubrey; O'Connor, Brendan; Dougherty, Daniel

Competing phases in well-ordered alpha-sexithiophene (α-6T) are shown to contribute to electrostatic disorder observed by differences in surface potential between mono- and bi-layer crystallites. Ultrathin films are of key importance to devices in which charge transport occurs in the first several monolayers nearest to a dielectric interface (e.g. thin film transistors) and complex structures in this regime impact the general electrostatic landscape. This study is comprised of 1.5 ML sample crystals grown via organic molecular beam deposition onto a temperature controlled hexamethyldisilazane (HMDS) passivated SiO2 substrate to produce well-ordered layer-by-layer type growth. Sample topography and surface potential were characterized simultaneously using Kelvin Probe Force Microscopy to then isolate contact potential differences by first and second layer α-6T regions. Films grown on 70° C, 120° C substrates are observed to have a bilayer with lower, higher potential than the monolayer, respectively. Resulting interlayer potential differences are a clear source of electrostatic disorder and are explained as subtle shifts in tilt-angles between layers relative to the substrate. These empirical results continue our understanding of how co-existing orientations contribute to the complex electrostatics influencing charge transport. NSF CAREER award DMR-1056861.

Nanoparticle electrostatic loss within corona needle charger during particle-charging process

International Nuclear Information System (INIS)

Huang Chenghsiung; Alonso, Manuel

2011-01-01

A numerical investigation has been carried out to examine the electrostatic loss of nanoparticles in a corona needle charger. Two-dimensional flow field, electric field, particle charge, and particle trajectory were simulated to obtain the electrostatic deposition loss at different conditions. Simulation of particle trajectories shows that the number of charges per particle during the charging process depends on the particle diameter, radial position from the symmetry axis, applied voltage, Reynolds number, and axial distance along the charger. The numerical results of nanoparticle electrostatic loss agreed fairly well with available experimental data. The results reveal that the electrostatic loss of nanoparticles increases with increasing applied voltage and electrical mobility of particles; and with decreasing particle diameter and Reynolds number. A regression equation closely fitted the obtained numerical results for different conditions. The equation is useful for directly calculating the electrostatic loss of nanoparticles in the corona needle charger during particle-charging process.

Molecular electrostatics for probing lone pair-π interactions.

Science.gov (United States)

Mohan, Neetha; Suresh, Cherumuttathu H; Kumar, Anmol; Gadre, Shridhar R

2013-11-14

An electrostatics-based approach has been proposed for probing the weak interactions between lone pair containing molecules and π deficient molecular systems. For electron-rich molecules, the negative minima in molecular electrostatic potential (MESP) topography give the location of electron localization and the MESP value at the minimum (Vmin) quantifies the electron-rich character of that region. Interactive behavior of a lone pair bearing molecule with electron deficient π-systems, such as hexafluorobenzene, 1,3,5-trinitrobenzene, 2,4,6-trifluoro-1,3,5-triazine and 1,2,4,5-tetracyanobenzene explored within DFT brings out good correlation of the lone pair-π interaction energy (E(int)) with the Vmin value of the electron-rich system. Such interaction is found to be portrayed well with the Electrostatic Potential for Intermolecular Complexation (EPIC) model. On the basis of the precise location of MESP minimum, a prediction for the orientation of a lone pair bearing molecule with an electron deficient π-system is possible in the majority of the cases studied.

Method of electrostatic filtration

International Nuclear Information System (INIS)

Devienne, F.M.

1975-01-01

Electrostatic filtration of secondary ions of mass m in a given mass ratio with a primary ion of mass M which has formed the secondary ions by fission is carried out by a method which consists in forming a singly-charged primary ion of the substance having a molecular mass M and extracting the ion at a voltage V 1 with respect to ground. The primary ion crosses a potential barrier V 2 , in producing the dissociation of the ion into at least two fragments of secondary ions and in extracting the fragment ion of mass m at a voltage V 2 . Filtration is carried out in an electrostatic analyzer through which only the ions of energy eV'' are permitted to pass, detecting the ions which have been filtered. The mass m of the ions is such that (M/m) = (V 1 - V 2 )/(V'' - V 2 )

Electrostatically mediated adsorption by nanodiamond and nanocarbon particles

International Nuclear Information System (INIS)

Gibson, Natalie M.; Luo, Tzy-Jiun Mark; Shenderova, Olga; Koscheev, Alexey P.; Brenner, Donald W.

2012-01-01

Nanodiamond (ND) and other nanocarbon particles are popular platforms for the immobilization of molecular species. In the present research, factors affecting adsorption and desorption of propidium iodide (PI) dye, chosen as a charged molecule model, on ND and sp 2 carbon nanoparticles were studied, with a size ranging from 75 to 4,305 nm. It was found that adsorption of PI molecules, as characterized by ultraviolet–visible spectroscopy, on ND particles is strongly influenced by sorbent-sorbate electrostatic interactions. Different types of NDs with a negative zeta potential were found to adsorb positively charged PI molecules, while no PI adsorption was observed for NDs with a positive zeta potential. The type and density of surface groups of negatively charged NDs greatly influenced the degree and capacity of the PI adsorbed. Ozone-purified NDs had the highest capacity for PI adsorption, due to its greater density of oxygen containing groups, i.e., acid anhydrides and carboxyls, as assessed by TDMS and TOF–SIMS. Single wall nanohorns and carbon onion particles were found to adsorb PI regardless of their zeta potential; this is likely due to π bonding between the aromatic rings of PI and the graphitic surface of the materials and the internal cavity of the horns.

Electrostatically mediated adsorption by nanodiamond and nanocarbon particles

Energy Technology Data Exchange (ETDEWEB)

Gibson, Natalie M.; Luo, Tzy-Jiun Mark, E-mail: tluo@ncsu.edu; Shenderova, Olga [North Carolina State University, Department of Materials Science and Engineering (United States); Koscheev, Alexey P. [Karpov Institute of Physical Chemistry, State Scientific Center of Russian Federation (Russian Federation); Brenner, Donald W. [North Carolina State University, Department of Materials Science and Engineering (United States)

2012-03-15

Nanodiamond (ND) and other nanocarbon particles are popular platforms for the immobilization of molecular species. In the present research, factors affecting adsorption and desorption of propidium iodide (PI) dye, chosen as a charged molecule model, on ND and sp{sup 2} carbon nanoparticles were studied, with a size ranging from 75 to 4,305 nm. It was found that adsorption of PI molecules, as characterized by ultraviolet-visible spectroscopy, on ND particles is strongly influenced by sorbent-sorbate electrostatic interactions. Different types of NDs with a negative zeta potential were found to adsorb positively charged PI molecules, while no PI adsorption was observed for NDs with a positive zeta potential. The type and density of surface groups of negatively charged NDs greatly influenced the degree and capacity of the PI adsorbed. Ozone-purified NDs had the highest capacity for PI adsorption, due to its greater density of oxygen containing groups, i.e., acid anhydrides and carboxyls, as assessed by TDMS and TOF-SIMS. Single wall nanohorns and carbon onion particles were found to adsorb PI regardless of their zeta potential; this is likely due to {pi} bonding between the aromatic rings of PI and the graphitic surface of the materials and the internal cavity of the horns.

Investigation of electrostatic collection of some polonium radioisotopes for plane and hemispheric geometries

International Nuclear Information System (INIS)

Lobach, D.J.; Dezhurko, M.D.

2004-01-01

The model approach to the description of the electrostatic collection (precipitation) of short-lived radon daughter products (RDP) is presented. The considerations are based on speculations about current processes (oxidation ( k - the constant of polonium oxidation), recombination (α - the constant of recombination), neutralization (γ - the constant of polonium oxide neutralization) and radioactive decay (λ - the constant of radioactive decay)). The subscript Rn refers to radon; Po, to polonium ( 215 Po, 216 Po, 218 Po); PoO, to polonium oxide (PoO 2 ). There is continuous uniform ionization in working matter of plane electrostatic chamber for RDP collection (the length of the chamber is d). The formation intensity of ion pairs is q, which is in correlation to the volume activity (VA) of radioactive ions in the chamber and irradiation from external sources. It is neglected by ion diffusion during electrostatic collection. Recombination losses are from collisions of heavy ions solely. Positive ions are collected on the working surface of the detector (cathode of the electrostatic chamber). n ± is the volume concentration of positive (negative) ions; ω ± > 0 is the drift velocity of positive (negative) ions. The driftage of positive ions along x-axis (to the cathode) and the balance of ions in dx layer are considered. At k approaching infinity, k >> λ Po + αn - and it is possible to obtain a single expression for the two polonium fractions: ω +PoO (dn +PoO /dx) = λ Rn n Rn - α n +PoO n - - γ n +PoO - λ Po n +PoO . The driftage time of positive ions in plane electrostatic chamber should be τ(drift) = d/ω + PoO is the mobility of polonium ions or aerosol complexes with polonium: ε(U) = [(μ PoO . U)/(d 2 . (λ Po + γ))] . [1 - exp [(d 2 . (λ Po + γ))/(μ PoO . U)

Frequency-dependent electrostatic actuation in microfluidic MEMS.

Energy Technology Data Exchange (ETDEWEB)

Zavadil, Kevin Robert; Michalske, Terry A.; Sounart, Thomas L.

2003-09-01

Electrostatic actuators exhibit fast response times and are easily integrated into microsystems because they can be fabricated with standard IC micromachining processes and materials. Although electrostatic actuators have been used extensively in 'dry' MEMS, they have received less attention in microfluidic systems probably because of challenges such as electrolysis, anodization, and electrode polarization. Here we demonstrate that ac drive signals can be used to prevent electrode polarization, and thus enable electrostatic actuation in many liquids, at potentials low enough to avoid electrochemistry. We measure the frequency response of an interdigitated silicon comb-drive actuator in liquids spanning a decade of dielectric permittivities and four decades of conductivity, and present a simple theory that predicts the characteristic actuation frequency. The analysis demonstrates the importance of the native oxide on silicon actuator response, and suggests that the actuation frequency can be shifted by controlling the thickness of the oxide. For native silicon devices, actuation is predicted at frequencies less than 10 MHz, in electrolytes of ionic strength up to 100 mmol/L, and thus electrostatic actuation may be feasible in many bioMEMS and other microfluidic applications.

The Role of the Electrostatic Force in Spore Adhesion

Energy Technology Data Exchange (ETDEWEB)

Chung, Eunhyea [Georgia Institute of Technology; Yiacoumi, Sotira [Georgia Institute of Technology; Lee, Ida [University of Tennessee, Knoxville (UTK); Tsouris, Costas [ORNL

2010-01-01

Electrostatic force is investigated as one of the components of the adhesion force between Bacillus thuringiensis (Bt) spores and planar surfaces. The surface potentials of a Bt spore and a mica surface are experimentally obtained using a combined atomic force microscopy (AFM)-scanning surface potential microscopy technique. On the basis of experimental information, the surface charge density of the spores is estimated at 0.03 {micro}C/cm{sup 2} at 20% relative humidity and decreases with increasing humidity. The Coulombic force is introduced for the spore-mica system (both charged, nonconductive surfaces), and an electrostatic image force is introduced to the spore-gold system because gold is electrically conductive. The Coulombic force for spore-mica is repulsive because the components are similarly charged, while the image force for the spore-gold system is attractive. The magnitude of both forces decreases with increasing humidity. The electrostatic forces are added to other force components, e.g., van der Waals and capillary forces, to obtain the adhesion force for each system. The adhesion forces measured by AFM are compared to the estimated values. It is shown that the electrostatic (Coulombic and image) forces play a significant role in the adhesion force between spores and planar surfaces.

Imaging latex–carbon nanotube composites by subsurface electrostatic force microscopy

International Nuclear Information System (INIS)

Patel, Sajan; Petty, Clayton W.; Krafcik, Karen Lee

2016-01-01

Electrostatic modes of atomic force microscopy have shown to be non-destructive and relatively simple methods for imaging conductors embedded in insulating polymers. Here we use electrostatic force microscopy to image the dispersion of carbon nanotubes in a latex-based conductive composite, which brings forth features not observed in previously studied systems employing linear polymer films. A fixed-potential model of the probe-nanotube electrostatics is presented which in principle gives access to the conductive nanoparticle's depth and radius, and the polymer film dielectric constant. Comparing this model to the data results in nanotube depths that appear to be slightly above the film–air interface. Furthermore, this result suggests that water-mediated charge build-up at the film–air interface may be the source of electrostatic phase contrast in ambient conditions.

Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties.

Science.gov (United States)

Doktorova, Milka; Heberle, Frederick A; Kingston, Richard L; Khelashvili, George; Cuendet, Michel A; Wen, Yi; Katsaras, John; Feigenson, Gerald W; Vogt, Volker M; Dick, Robert A

2017-11-07

Binding of the retroviral structural protein Gag to the cellular plasma membrane is mediated by the protein's matrix (MA) domain. Prominent among MA-PM interactions is electrostatic attraction between the positively charged MA domain and the negatively charged plasma membrane inner leaflet. Previously, we reported that membrane association of HIV-1 Gag, as well as purified Rous sarcoma virus (RSV) MA and Gag, depends strongly on the presence of acidic lipids and is enhanced by cholesterol (Chol). The mechanism underlying this enhancement was unclear. Here, using a broad set of in vitro and in silico techniques we addressed molecular mechanisms of association between RSV MA and model membranes, and investigated how Chol enhances this association. In neutron scattering experiments with liposomes in the presence or absence of Chol, MA preferentially interacted with preexisting POPS-rich clusters formed by nonideal lipid mixing, binding peripherally to the lipid headgroups with minimal perturbation to the bilayer structure. Molecular dynamics simulations showed a stronger MA-bilayer interaction in the presence of Chol, and a large Chol-driven increase in lipid packing and membrane surface charge density. Although in vitro MA-liposome association is influenced by disparate variables, including ionic strength and concentrations of Chol and charged lipids, continuum electrostatic theory revealed an underlying dependence on membrane surface potential. Together, these results conclusively show that Chol affects RSV MA-membrane association by making the electrostatic potential at the membrane surface more negative, while decreasing the penalty for lipid headgroup desolvation. The presented approach can be applied to other viral and nonviral proteins. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Investigations of electrostatic ion waves in a collisionless plasma

International Nuclear Information System (INIS)

Michelsen, P.

1980-06-01

The author reviews a series of publications concerning theoretical and experimental investigations of electrostatic ion waves in a collisionless plasma. The experimental work was performed in the Risoe Q-machine under various operational conditions. Besides a description of this machine and the diagnostic techniques used for the measurements, two kinds of electrostatic waves are treated, namely, ion-acoustic waves and ion-cyclotron waves. Due to the relative simplicity of the ion-acoustic waves, these were treated in detail in order to get a more general understanding of the behaviour of the propagation properties of electrostatic waves. The problem concerning the difficulties in describing waves excited at a certain position and propagating in space by a proper mathematical model was especially considered in depth. Furthermore, ion-acoustic waves were investigated which propagated in a plasma with a density gradient, and afterwards in a plasma with an ion beam. Finally, a study of the electrostatic ion-cyclotron waves was undertaken, and it was shown that these waves were unstable in a plasma traversed by an ion beam. (Auth.)

Electrostatic-Dipole (ED) Fusion Confinement Studies

Science.gov (United States)

Miley, George H.; Shrestha, Prajakti J.; Yang, Yang; Thomas, Robert

2004-11-01

The Electrostatic-Dipole (ED) concept significantly differs from a "pure" dipole confinement device [1] in that the charged particles are preferentially confined to the high-pressure region interior of the dipole coil by the assistance of a surrounding spherical electrostatic grid. In present ED experiments, a current carrying coil is embedded inside the grid of an IEC such as to produce a magnetic dipole field. Charged particles are injected axisymmetrically from an ion gun (or duo-plasmatron) into the center of the ED confinement grid/dipole ring where they oscillate along the magnetic field lines and pass the peak field region at the center of the dipole region. As particles begin accelerating away from the center region towards the outer electrostatic grid region, they encounter a strong electrostatic potential (order of 10's of kilovolts) retarding force. The particles then decelerate, reverse direction and re-enter the dipole field region where again magnetic confinement dominates. This process continues, emulating a complex harmonic oscillator motion. The resulting pressure profile averaged over the field curvature offers good plasma stability in the ED configuration. The basic concept and results from preliminary experiments will be described. [1] M.E. Mauel, et al. "Dipole Equilibrium and Stability," 18th IAEA Conference of Plasma Phys. and Control. Nuclear Fusion, Varenna, Italy 2000, IAEA-F1-CN-70/TH

Vesicle fusion with bilayer lipid membrane controlled by electrostatic interaction

Directory of Open Access Journals (Sweden)

Azusa Oshima

2017-09-01

Full Text Available The fusion of proteoliposomes is a promising approach for incorporating membrane proteins in artificial lipid membranes. In this study, we employed an electrostatic interaction between vesicles and supported bilayer lipid membranes (s-BLMs to control the fusion process. We combined large unilamellar vesicles (LUVs containing anionic lipids, which we used instead of proteoliposomes, and s-BLMs containing cationic lipids to control electrostatic interaction. Anionic LUVs were never adsorbed or ruptured on the SiO2 substrate with a slight negative charge, and selectively fused with cationic s-BLMs. The LUVs can be fused effectively to the target position. Furthermore, as the vesicle fusion proceeds and some of the positive charges are neutralized, the attractive interaction weakens and finally the vesicle fusion saturates. In other words, we can control the number of LUVs fused with s-BLMs by controlling the concentration of the cationic lipids in the s-BLMs. The fluidity of the s-BLMs after vesicle fusion was confirmed to be sufficiently high. This indicates that the LUVs attached to the s-BLMs were almost completely fused, and there were few intermediate state vesicles in the fusion process. We could control the position and amount of vesicle fusion with the s-BLMs by employing an electrostatic interaction.

Electrostatics of a Family of Conducting Toroids

Science.gov (United States)

Lekner, John

2009-01-01

An exact solution is found for the electrostatic potential of a family of conducting charged toroids. The toroids are characterized by two lengths "a" and "b", with "a" greater than or equal to "2b". They are closed, with no hole in the "doughnut". The results are obtained by considering the potential of two equal charges, displaced from the…

Magnetosheath electrostatic turbulence

International Nuclear Information System (INIS)

Rodriguez, P.

1979-01-01

By using measurements with the University of Iowa plasma wave experiment on the Imp 6 satellite a study has been conducted of the spectrum of electrostatic plasma waves in the terrestrial magnetosheath. Electrostatic plasma wave turbulence is almost continuously present throughout the magnetosheath with broadband (20 Hz to 70 kHz) rms field intensities typically 0.01--1.0 mV m -1 . Peak intensities of about 1.0 mV m -1 near the electron plasma frequency (30--60 kHz) have been detected occasionally. Two or three components can usually be identified in the spectrum of magnetosheath electrostatic turbulence: a high-frequency (> or =30kHz) component peaking at the electron plasma frequency f/sub p/e, a low-frequency component with a broad intensity maximum below the nominal ion plasma frequency f/sub p/i (approx. f/sub p/e/43), and a less well defined intermediate component in the range f/sub p/i < f< f/sub p/e. The intensity distribution of magnetosheath electrostatic turbulence clearly shows that the low-frequency component is associated with the bow shock, suggesting that the ion heating begun at the shock continues into the downstream magnetosheath. Electrostatic waves below 1 kHz are polarized along the magnetic field direction, a result consistent with the polarization of electrostatic waves at the shock. The high- and intermediate-frequency components are features of the magnetosheath spectrum which are not characteristic of the shock spectrum but are often detected in the upstream solar wind. The intensity distribution of electrostatic turbulence at the magnetosheath plasma frequency has no apparent correlation with the shock, indicating that electron plasma oscillations are a general feature of the magnetosheath. The plasma wave noise shows a tendency to decrease toward the dawn and dusk regions, consistent with a general decrease in turbulence away from the subsolar magnetosheath

Electrostatic force microscopy: imaging DNA and protein polarizations one by one

International Nuclear Information System (INIS)

Mikamo-Satoh, Eriko; Yamada, Fumihiko; Takagi, Akihiko; Matsumoto, Takuya; Kawai, Tomoji

2009-01-01

We present electrostatic force microscopy images of double-stranded DNA and transcription complex on an insulating mica substrate obtained with molecular resolution using a frequency-mode noncontact atomic force microscope. The electrostatic potential images show that both DNA and transcription complexes are polarized with an upward dipole moment. Potential differences of these molecules from the mica substrate enabled us to estimate dipole moments of isolated DNA and transcription complex in zero external field to be 0.027 D/base and 0.16 D/molecule, respectively. Scanning capacitance microscopy demonstrates characteristic contrast inversion between DNA and transcription complex images, indicating the difference in electric polarizability of these molecules. These findings indicate that the electrostatic properties of individual biological molecules can be imaged on an insulator substrate while retaining complex formation.

Electrostatic potentials and energy loss due to a projectile propagating through a non-Maxwellian dusty plasma

International Nuclear Information System (INIS)

Deeba, F.; Ahmad, Zahoor; Murtaza, G.

2006-01-01

The electrostatic potentials (Debye and wake) and energy loss due to a charged projectile propagating through an unmagnetized collisionless dusty plasma are derived employing kappa and generalized (r,q) velocity distributions for the dust acoustic wave. It is found that these quantities in general differ from their Maxwellian counterparts and are sensitive to the values of spectral index, κ in the case of kappa distribution and to r, q in the case of generalized (r,q) distribution. The amplitudes of these quantities are less for small values of the spectral index (κ, r=0, q) but approach the Maxwellian in the limit κ→∞ (for kappa distribution) and for r=0, q→∞ [for generalized (r,q) distribution]. For any nonzero value of r, the potential and the energy loss grow beyond the Maxwellian results. The effect of kappa and generalized (r,q) distributions on potential and energy loss is also studied numerically and the results are compared with those of the Maxwellian distribution

Compressive sensing-based electrostatic sensor array signal processing and exhausted abnormal debris detecting

Science.gov (United States)

Tang, Xin; Chen, Zhongsheng; Li, Yue; Yang, Yongmin

2018-05-01

When faults happen at gas path components of gas turbines, some sparsely-distributed and charged debris will be generated and released into the exhaust gas. The debris is called abnormal debris. Electrostatic sensors can detect the debris online and further indicate the faults. It is generally considered that, under a specific working condition, a more serious fault generates more and larger debris, and a piece of larger debris carries more charge. Therefore, the amount and charge of the abnormal debris are important indicators of the fault severity. However, because an electrostatic sensor can only detect the superposed effect on the electrostatic field of all the debris, it can hardly identify the amount and position of the debris. Moreover, because signals of electrostatic sensors depend on not only charge but also position of debris, and the position information is difficult to acquire, measuring debris charge accurately using the electrostatic detecting method is still a technical difficulty. To solve these problems, a hemisphere-shaped electrostatic sensors' circular array (HSESCA) is used, and an array signal processing method based on compressive sensing (CS) is proposed in this paper. To research in a theoretical framework of CS, the measurement model of the HSESCA is discretized into a sparse representation form by meshing. In this way, the amount and charge of the abnormal debris are described as a sparse vector. It is further reconstructed by constraining l1-norm when solving an underdetermined equation. In addition, a pre-processing method based on singular value decomposition and a result calibration method based on weighted-centroid algorithm are applied to ensure the accuracy of the reconstruction. The proposed method is validated by both numerical simulations and experiments. Reconstruction errors, characteristics of the results and some related factors are discussed.

Wall Climbing Robot Using Electrostatic Adhesion Force Generated by Flexible Interdigital Electrodes

Directory of Open Access Journals (Sweden)

Rong Liu

2013-01-01

Full Text Available Electrostatic adhesion technology has broad application prospects on wall climbing robots because of its unique characteristics compared with other types of adhesion technologies. A double tracked wall climbing robot based on electrostatic adhesion technology is presented including electrode panel design, mechanical structure design, power supply system design and control system design. A theoretical adhesion model was established and the electrostatic potential and field were expressed by series expansions in terms of solutions of the Laplace function. Based on this model, the electrostatic adhesion force was calculated using the Maxwell stress tensor formulation. Several important factors which may influence the electrostatic adhesion force were analysed and discussed by both FEM simulation and theoretical calculation. In addition, experiments on the adhesion performance of the electrode panel and the climbing performance of the robot on various wall materials were carried out. Both the simulation and experiment results verify the feasibility of electrostatic adhesion technology being applied on wall climbing robots. The theoretical model and calculation method for the electrostatic adhesion force proposed in this paper are also justified.

Transverse confinement of an ion beam in a purely electrostatic configuration

International Nuclear Information System (INIS)

Correa, J.R.; Ordonez, C.A.; Weathers, D.L.

2005-01-01

The transverse confinement of an ion beam in a purely electrostatic configuration is studied. Analytical expressions for the electric potential of three different electrode configurations are found. Each configuration may be described as consisting of many closely spaced Einzel lenses, such that the focusing periodicity length is much smaller than the transverse size of the beam. Classical trajectory computer simulations are used to obtain a map of the phase space co-ordinates for which transverse electrostatic confinement occurs with one of the configurations. The results indicate that confinement should occur for a large range of conditions. It is speculated that the configurations studied can be used for transverse confinement of ion beams in either electrostatic ion traps or electrostatic ion storage rings

Electrostatics of spherical metallic particles in cylinder electrostatic separators/sizers

International Nuclear Information System (INIS)

Lu Hongzhou; Li Jia; Guo Jie; Xu Zhenming

2006-01-01

This paper presents a theoretical analysis of the dynamics of spherical metallic particles in electrostatic separators/sizers (ESSs). A computational algorithm is employed to depict the cylinder-type electrode arrangements applied in some electrostatic processes generating non-uniform electric fields. The ESS consists of a pair of conducting cylinders. The upper cylinder is energized by HVdc, while the lower one is grounded and mounted horizontally on a revolvable axis. The aim of this paper is to present a new electrode configuration and demonstrate the usefulness of numerical techniques for the evaluation of the particle's motion. A computer program was employed for analysing the behavior of spherical particles in a two-dimensional electrode arrangement that models the actual electric field configuration of cylinder-type electrostatic separators/sizers. The analysis is needed for the development of any new application of this cylinder-type electrode arrangement as an electrostatic separation method. The results reveal that the particle's motion depends on its radius and density and amplitude of the applied voltage. The actual granular mixtures with different specific mass and radius could be separated applying this cylinder-type electrostatic separation method; the lift voltage is an important parameter for separation. With a program for two-dimensional analysis of the electric field, the computational procedure presented in this paper could be employed for any particle shapes

Asteroid electrostatic instrumentation and modelling

Energy Technology Data Exchange (ETDEWEB)

Aplin, K L; Bowles, N E; Urbak, E [Department of Physics, University of Oxford, Denys Wilkinson Building, Keble Road, Oxford OX1 3RH (United Kingdom); Keane, D; Sawyer, E C, E-mail: k.aplin1@physics.ox.ac.uk [RAL Space, R25, Harwell Oxford, Didcot OX11 0QX (United Kingdom)

2011-06-23

Asteroid surface material is expected to become photoelectrically charged, and is likely to be transported through electrostatic levitation. Understanding any movement of the surface material is relevant to proposed space missions to return samples to Earth for detailed isotopic analysis. Motivated by preparations for the Marco Polo sample return mission, we present electrostatic modelling for a real asteroid, Itokawa, for which detailed shape information is available, and verify that charging effects are likely to be significant at the terminator and at the edges of shadow regions for the Marco Polo baseline asteroid, 1999JU3. We also describe the Asteroid Charge Experiment electric field instrumentation intended for Marco Polo. Finally, we find that the differing asteroid and spacecraft potentials on landing could perturb sample collection for the short landing time of 20min that is currently planned.

Effects of electrostatic interactions on electron transfer reactions

International Nuclear Information System (INIS)

Hickel, B.

1987-01-01

The fast reactions of electron transfer are studied by pulse radiolysis. This technique allows the creation in about 10 -8 second radicals and radical ions with high redox potentials. For solvated electrons electrostatic interaction on the kinetics of reactions limited by diffusion is described by Debye's equation when ion mobility is known. Deviation from theory can occur in ion pairs formation. This is evidenced experimentally for anions by cation complexation with a cryptate. Relatively slow reactions are more sensitive to electrostatic interactions than limited by diffusion. If ion pairs are not formed kinetics constant depends on dielectric constant of solvent and reaction radius. Experimentally is studied the effect of electrostatic interaction on the rate constants of solvated electrons with anions and cations in water-ethanol mixtures where the dielectric constant change from 80 to 25 at room temperature. 17 refs

PREFACE: Electrostatics 2015

Science.gov (United States)

Matthews, James

2015-10-01

Electrostatics 2015, supported by the Institute of Physics, was held in the Sir James Matthews building at Southampton Solent University, UK between 12th and 16th April 2015. Southampton is a historic city on the South Coast of England with a strong military and maritime history. Southampton is home to two Universities: Solent University, which hosted the conference, and the University of Southampton, where much work is undertaken related to electrostatics. 37 oral and 44 poster presentations were accepted for the conference, and 60 papers were submitted and accepted for the proceedings. The Bill Bright Memorial Lecture was delivered this year by Professor Mark Horenstein from Boston University who was, until recently, Editor-in-Chief of the Journal of Electrostatics. He spoke on The contribution of surface potential to diverse problems in electrostatics and his thorough knowledge of the subject of electrostatics was evident in the presentation. The first session was chaired by the Conference Chair, Dr Keith Davies, whose experience in the field showed through his frequent contributions to the discussions throughout the conference. Hazards and Electrostatic Discharge have formed a strong core to Electrostatics conferences for many years, and this conference contained sessions on both Hazards and on ESD, including an invited talk from Dr Jeremy Smallwood on ESD in Industry - Present and Future. Another strong theme to emerge from this year's programme was Non-Thermal Plasmas, which was covered in two sessions. There were two invited talks on this subject: Professor Masaaki Okubo gave a talk on Development of super-clean diesel engine and combustor using nonthermal plasma hybrid after treatment and Dr David Go presented a talk on Atmospheric-pressure ionization processes: New approaches and applications for plasmas in contact with liquids. A new innovation to the conference this year was the opportunity for conference sponsors to present to the delegates a technical

Electrostatic septum, SPS

CERN Multimedia

CERN PhotoLab

1978-01-01

To minimize losses during slow extraction towards N- and W-Area, electrostatic septa in long straight sections 2 and 6 precede the magnetic septa. This picture shows such an electrostatic septum in its tank. See 7501120X, 7501199 and 7501201 for more detailed pictures.

Multipolar electrostatics.

Science.gov (United States)

Cardamone, Salvatore; Hughes, Timothy J; Popelier, Paul L A

2014-06-14

Atomistic simulation of chemical systems is currently limited by the elementary description of electrostatics that atomic point-charges offer. Unfortunately, a model of one point-charge for each atom fails to capture the anisotropic nature of electronic features such as lone pairs or π-systems. Higher order electrostatic terms, such as those offered by a multipole moment expansion, naturally recover these important electronic features. The question remains as to why such a description has not yet been widely adopted by popular molecular mechanics force fields. There are two widely-held misconceptions about the more rigorous formalism of multipolar electrostatics: (1) Accuracy: the implementation of multipole moments, compared to point-charges, offers little to no advantage in terms of an accurate representation of a system's energetics, structure and dynamics. (2) Efficiency: atomistic simulation using multipole moments is computationally prohibitive compared to simulation using point-charges. Whilst the second of these may have found some basis when computational power was a limiting factor, the first has no theoretical grounding. In the current work, we disprove the two statements above and systematically demonstrate that multipole moments are not discredited by either. We hope that this perspective will help in catalysing the transition to more realistic electrostatic modelling, to be adopted by popular molecular simulation software.

Collisionless electrostatic shocks

DEFF Research Database (Denmark)

Andersen, H.K.; Andersen, S.A.; Jensen, Vagn Orla

1970-01-01

An attempt was made in the laboratory to observe the standing collisionless electrostatic shocks in connection with the bow shock of the earth......An attempt was made in the laboratory to observe the standing collisionless electrostatic shocks in connection with the bow shock of the earth...

Edutainment Science: Electrostatics

Science.gov (United States)

Ahlers, Carl

2009-01-01

Electrostatics should find a special place in all primary school science curricula. It is a great learning area that reinforces the basics that underpin electricity and atomic structure. Furthermore, it has many well documented hands-on activities. Unfortunately, the "traditional" electrostatics equipment such as PVC rods, woollen cloths, rabbit…

Effects of dielectric inhomogeneity on electrostatic twist rigidity of a helical biomolecule in Debye-Hückel regime

Science.gov (United States)

Rezaie-Dereshgi, Amir; Mohammad-Rafiee, Farshid

2018-04-01

The electrostatic interactions play a crucial role in biological systems. Here we consider an impermeable dielectric molecule in the solvent with a different dielectric constant. The electrostatic free energy in the problem is studied in the Debye-Hückel regime using the analytical Green function that is calculated in the paper. Using this electrostatic free energy, we study the electrostatic contribution to the twist rigidity of a double stranded helical molecule such as a DNA and an actin filament. The dependence of the electrostatic twist rigidity of the molecule to the dielectric inhomogeneity, structural parameters, and the salt concentration is studied. It is shown that, depending on the parameters, the electrostatic twist rigidity could be positive or negative.

The morphology of electrostatic tripolar regions

International Nuclear Information System (INIS)

Nocera, L.

2008-01-01

Electrostatic tripolar regions in plasmas develop a skewness of their own electric potential waveform as a peculiar morphological property, which distinguishes them from symmetric electrostatic solitary waves. Within the collision-less, kinetic treatment developed here, this property holds if the velocity distributions of electrons and ions are singular in value, irrespective of their smoothness at the region's boundary and of the smoothness of the potential waveform and of the electron and ion density distributions. These singularities are integrable, and are of the logarithmic and jump type: the former occur at isolated points in phase space; the latter occur on the left branch of the electron separatrix and on the left branch of the ion sub-separatrix. The distributions are non-negative if, at its local extrema, the potential waveform is skewed to the left, in agreement with observations, and if the skewness is smaller than a given bound: a sufficient condition for such skewness to be small about the minimum of the potential waveform is that a sufficiently fast electron beam exists on the high-potential boundary of the tripolar region. In those special cases in which the particle distributions are continuous in value, the above mentioned singularities affect their space and velocity derivatives. These results could be extracted from very general considerations on the degree of smoothness of the spatial distribution of the electric potential and on the non-negativity of the electron and ion distributions, without the assistance of any specific models

Space Weather Influence on Relative Motion Control using the Touchless Electrostatic Tractor

Science.gov (United States)

Hogan, Erik A.; Schaub, Hanspeter

2016-09-01

With recent interest in the use of electrostatic forces for contactless tugging and attitude control of noncooperative objects for orbital servicing and active debris mitigation, the need for a method of remote charge control arises. In this paper, the use of a directed electron beam for remote charge control is considered in conjunction with the relative motion control. A tug vehicle emits an electron beam onto a deputy object, charging it negatively. At the same time, the tug is charged positively due to beam emission, resulting in an attractive electrostatic force. The relative position feedback control between the tug and the passive debris object is studied subject to the charging being created through an electron beam. Employing the nominal variations of the GEO space weather conditions across longitude slots, two electrostatic tugging strategies are considered. First, the electron beam current is adjusted throughout the orbit in order to maximize this resulting electrostatic force. This open-loop control strategy compensates for changes in the nominally expected local space weather environment in the GEO region to adjust for fluctuations in the local plasma return currents. Second, the performance impact of using a fixed electron beam current on the electrostatic tractor is studied if the same natural space weather variations are assumed. The fixed electron beam current shows a minor performance penalty (<5 %) while providing a much simpler implementation that does not require any knowledge of local space weather conditions.

Quantitative 3D-KPFM imaging with simultaneous electrostatic force and force gradient detection

International Nuclear Information System (INIS)

Collins, L; Rodriguez, B J; Okatan, M B; Li, Q; Kravenchenko, I I; Lavrik, N V; Kalinin, S V; Jesse, S

2015-01-01

Kelvin probe force microscopy (KPFM) is a powerful characterization technique for imaging local electrochemical and electrostatic potential distributions and has been applied across a broad range of materials and devices. Proper interpretation of the local KPFM data can be complicated, however, by convolution of the true surface potential under the tip with additional contributions due to long range capacitive coupling between the probe (e.g. cantilever, cone, tip apex) and the sample under test. In this work, band excitation (BE)-KPFM is used to negate such effects. In contrast to traditional single frequency KPFM, multifrequency BE-KPFM is shown to afford dual sensitivity to both the electrostatic force and the force gradient detection, analogous to simultaneous amplitude modulated and frequency modulated KPFM imaging. BE-KPFM is demonstrated on a Pt/Au/SiO x test structure and electrostatic force gradient detection is found to lead to an improved lateral resolution compared to electrostatic force detection. Finally, a 3D-KPFM imaging technique is developed. Force volume (FV) BE-KPFM allows the tip–sample distance dependence of the electrostatic interactions (force and force gradient) to be recorded at each point across the sample surface. As such, FVBE-KPFM provides a much needed pathway towards complete tip–sample capacitive de-convolution in KPFM measurements and will enable quantitative surface potential measurements with nanoscale resolution. (paper)

Optimization of an electrostatic quadrupole doublet focusing systems

Energy Technology Data Exchange (ETDEWEB)

Hussein, Oday A., E-mail: oah@sc.nahrainuniv.edu.iq [Department of Physics, College of Science, Al-Nahrain University, Baghdad (Iraq); Sise, Omer [Department of Science Education, Faculty of Education, Suleyman Demirel University, Isparta (Turkey)

2017-05-15

Highlights: • The imaging properties of an electrostatic quadrupole doublet lens were analyzed with the aid of computer simulation. • The optimal electrode voltages which lead to stigmatic image in both planes of the quadrupole doublet lens with minimum spot size at position sensitive detector (PSD) were found for two operation modes: point-to-point focusing and parallel-to-point focusing. • The imaging properties of are very sensitive to the lunching angle of the electron-beam. - Abstract: The imaging properties of an electrostatic quadrupole doublet lens were analyzed with the aid of computer simulation. The optimal electrode voltages which lead to stigmatic image in both planes of the quadrupole doublet lens with minimum spot size at position sensitive detector (PSD) were found for two operation modes: point-to-point focusing and parallel-to-point focusing. The optical properties as: Magnifications, spot sizes in the image plane and aberration figures were discussed. The results showed that the focusing of the lens was strong in the xy-plane in comparison with the focusing in the xz-plane. The distortion of the image was greater when the image position will be close to the lens in comparison with object position. Also, the imaging properties were very sensitive to the lunching angle of the electron-beam.

Development of coaxial speaker-like non-contact electrostatic sensor for aviation engine exhaust electrostatic character research

Directory of Open Access Journals (Sweden)

Du Zhaoheng

2015-01-01

Full Text Available Electrostatic sensor is the most important equipment in aero-engine exhaust electrostatic character research. By comparing a variety of sensor test programs, the coaxial speaker-like noncontact electrostatic sensor program is proposed. Numerical simulation analysis indicates the electric field distribution of electrostatic sensor, the influence principle of gap width, outer diameter, center diameter, angle and other factors on the sensor capacitance values which identify the key indicators of electrostatic sensor. The experiment test shows that the simulation analysis is in good agreement with the experimental results.

Impact of Electrostatics on Processing and Product Performance of Pharmaceutical Solids.

Science.gov (United States)

Desai, Parind Mahendrakumar; Tan, Bernice Mei Jin; Liew, Celine Valeria; Chan, Lai Wah; Heng, Paul Wan Sia

2015-01-01

Manufacturing of pharmaceutical solids involves different unit operations and processing steps such as powder blending, fluidization, sieving, powder coating, pneumatic conveying and spray drying. During these operations, particles come in contact with other particles, different metallic, glass or polymer surfaces and can become electrically charged. Electrostatic charging often gives a negative connotation as it creates sticking, jamming, segregation or other issues during tablet manufacturing, capsule filling, film packaging and other pharmaceutical operations. A thorough and fundamental appreciation of the current knowledge of mechanisms and the potential outcomes is essential in order to minimize potential risks resulting from this phenomenon. The intent of this review is to discuss the electrostatic properties of pharmaceutical powders, equipment surfaces and devices affecting pharmaceutical processing and product performance. Furthermore, the underlying mechanisms responsible for the electrostatic charging are described and factors affecting electrostatic charging have been reviewed in detail. Feasibility of different methods used in the laboratory and pharmaceutical industry to measure charge propensity and decay has been summarized. Different computational and experimental methods studied have proven that the particle charging is a very complex phenomenon and control of particle charging is extremely important to achieve reliable manufacturing and reproducible product performance.

Anomalous positive flatband voltage shifts in metal gate stacks containing rare-earth oxide capping layers

KAUST Repository

Caraveo-Frescas, J. A.; Hedhili, Mohamed N.; Wang, H.; Schwingenschlö gl, Udo; Alshareef, Husam N.

2012-01-01

measure a ∼350 mV negative shift with the Si overlayer present and a ∼110 mV positive shift with the Si overlayer removed. This effect is correlated to a positive change in the average electrostatic potential at the TaN/dielectric interface which

Electrostatic field distributions in the Harwell Tandem accelerator

International Nuclear Information System (INIS)

Read, P.M.

1981-11-01

The electrostatic field distributions in the Harwell Tandem accelerator have been precisely calculated using the electrostatics program FINALE. The results indicate that the accelerator which presently has an upper voltage limit of 6.5 MV has the potential to operate at 8 MV. Such an upgrade could be achieved by a modification to the high voltage terminal. Replacement of the existing accelerator tubes with accelerator tubes capable of a gradient of 1.8 MV/m would also be required. The existing stack may also require replacement. The terminal modification itself would reduce the terminal to tank breakdown frequency. (author)

Flexural-Phonon Scattering Induced by Electrostatic Gating in Graphene

DEFF Research Database (Denmark)

Gunst, Tue; Kaasbjerg, Kristen; Brandbyge, Mads

2017-01-01

Graphene has an extremely high carrier mobility partly due to its planar mirror symmetry inhibiting scattering by the highly occupied acoustic flexural phonons. Electrostatic gating of a graphene device can break the planar mirror symmetry, yielding a coupling mechanism to the flexural phonons......-limiting factor, and show how the carrier density and temperature scaling of the mobility depends on the electrostatic environment. Our findings may explain the high deformation potential for in-plane acoustic phonons extracted from experiments and, furthermore, suggest a direct relation between device symmetry...

Electrostatic accelerators

CERN Document Server

Hinterberger, F

2006-01-01

The principle of electrostatic accelerators is presented. We consider Cockcroft– Walton, Van de Graaff and Tandem Van de Graaff accelerators. We resume high voltage generators such as cascade generators, Van de Graaff band generators, Pelletron generators, Laddertron generators and Dynamitron generators. The speci c features of accelerating tubes, ion optics and methods of voltage stabilization are described. We discuss the characteristic beam properties and the variety of possible beams. We sketch possible applications and the progress in the development of electrostatic accelerators.

Electrostatics, structure prediction, and the energy landscapes for protein folding and binding.

Science.gov (United States)

Tsai, Min-Yeh; Zheng, Weihua; Balamurugan, D; Schafer, Nicholas P; Kim, Bobby L; Cheung, Margaret S; Wolynes, Peter G

2016-01-01

While being long in range and therefore weakly specific, electrostatic interactions are able to modulate the stability and folding landscapes of some proteins. The relevance of electrostatic forces for steering the docking of proteins to each other is widely acknowledged, however, the role of electrostatics in establishing specifically funneled landscapes and their relevance for protein structure prediction are still not clear. By introducing Debye-Hückel potentials that mimic long-range electrostatic forces into the Associative memory, Water mediated, Structure, and Energy Model (AWSEM), a transferable protein model capable of predicting tertiary structures, we assess the effects of electrostatics on the landscapes of thirteen monomeric proteins and four dimers. For the monomers, we find that adding electrostatic interactions does not improve structure prediction. Simulations of ribosomal protein S6 show, however, that folding stability depends monotonically on electrostatic strength. The trend in predicted melting temperatures of the S6 variants agrees with experimental observations. Electrostatic effects can play a range of roles in binding. The binding of the protein complex KIX-pKID is largely assisted by electrostatic interactions, which provide direct charge-charge stabilization of the native state and contribute to the funneling of the binding landscape. In contrast, for several other proteins, including the DNA-binding protein FIS, electrostatics causes frustration in the DNA-binding region, which favors its binding with DNA but not with its protein partner. This study highlights the importance of long-range electrostatics in functional responses to problems where proteins interact with their charged partners, such as DNA, RNA, as well as membranes. © 2015 The Protein Society.

3D RISM theory with fast reciprocal-space electrostatics

Energy Technology Data Exchange (ETDEWEB)

Heil, Jochen; Kast, Stefan M., E-mail: stefan.kast@tu-dortmund.de [Physikalische Chemie III, Technische Universität Dortmund, Otto-Hahn-Str. 6, 44227 Dortmund (Germany)

2015-03-21

The calculation of electrostatic solute-solvent interactions in 3D RISM (“three-dimensional reference interaction site model”) integral equation theory is recast in a form that allows for a computational treatment analogous to the “particle-mesh Ewald” formalism as used for molecular simulations. In addition, relations that connect 3D RISM correlation functions and interaction potentials with thermodynamic quantities such as the chemical potential and average solute-solvent interaction energy are reformulated in a way that calculations of expensive real-space electrostatic terms on the 3D grid are completely avoided. These methodical enhancements allow for both, a significant speedup particularly for large solute systems and a smoother convergence of predicted thermodynamic quantities with respect to box size, as illustrated for several benchmark systems.

3D RISM theory with fast reciprocal-space electrostatics.

Science.gov (United States)

Heil, Jochen; Kast, Stefan M

2015-03-21

The calculation of electrostatic solute-solvent interactions in 3D RISM ("three-dimensional reference interaction site model") integral equation theory is recast in a form that allows for a computational treatment analogous to the "particle-mesh Ewald" formalism as used for molecular simulations. In addition, relations that connect 3D RISM correlation functions and interaction potentials with thermodynamic quantities such as the chemical potential and average solute-solvent interaction energy are reformulated in a way that calculations of expensive real-space electrostatic terms on the 3D grid are completely avoided. These methodical enhancements allow for both, a significant speedup particularly for large solute systems and a smoother convergence of predicted thermodynamic quantities with respect to box size, as illustrated for several benchmark systems.

3D RISM theory with fast reciprocal-space electrostatics

International Nuclear Information System (INIS)

Heil, Jochen; Kast, Stefan M.

2015-01-01

The calculation of electrostatic solute-solvent interactions in 3D RISM (“three-dimensional reference interaction site model”) integral equation theory is recast in a form that allows for a computational treatment analogous to the “particle-mesh Ewald” formalism as used for molecular simulations. In addition, relations that connect 3D RISM correlation functions and interaction potentials with thermodynamic quantities such as the chemical potential and average solute-solvent interaction energy are reformulated in a way that calculations of expensive real-space electrostatic terms on the 3D grid are completely avoided. These methodical enhancements allow for both, a significant speedup particularly for large solute systems and a smoother convergence of predicted thermodynamic quantities with respect to box size, as illustrated for several benchmark systems

Characterization of Electrostatic Potential and Trapped Charge in Semiconductor Nanostructures using Off-Axis Electron Holography

Science.gov (United States)

Gan, Zhaofeng

Off-axis electron holography (EH) has been used to characterize electrostatic potential, active dopant concentrations and charge distribution in semiconductor nanostructures, including ZnO nanowires (NWs) and thin films, ZnTe thin films, Si NWs with axial p-n junctions, Si-Ge axial heterojunction NWs, and Ge/Li xGe core/shell NW. The mean inner potential (MIP) and inelastic mean free path (IMFP) of ZnO NWs have been measured to be 15.3V+/-0.2V and 55+/-3nm, respectively, for 200keV electrons. These values were then used to characterize the thickness of a ZnO nano-sheet and gave consistent values. The MIP and IMFP for ZnTe thin films were measured to be 13.7+/-0.6V and 46+/-2nm, respectively, for 200keV electrons. A thin film expected to have a p-n junction was studied, but no signal due to the junction was observed. The importance of dynamical effects was systematically studied using Bloch wave simulations. The built-in potentials in Si NWs across the doped p-n junction and the Schottky junction due to Au catalyst were measured to be 1.0+/-0.3V and 0.5+/-0.3V, respectively. Simulations indicated that the dopant concentrations were ~1019cm-3 for donors and ~1017 cm-3 for acceptors. The effects of positively charged Au catalyst, a possible n+-n --p junction transition region and possible surface charge, were also systematically studied using simulations. Si-Ge heterojunction NWs were studied. Dopant concentrations were extracted by atom probe tomography. The built-in potential offset was measured to be 0.4+/-0.2V, with the Ge side lower. Comparisons with simulations indicated that Ga present in the Si region was only partially activated. In situ EH biasing experiments combined with simulations indicated the B dopant in Ge was mostly activated but not the P dopant in Si. I-V characteristic curves were measured and explained using simulations. The Ge/LixGe core/shell structure was studied during lithiation. The MIP for LixGe decreased with time due to increased Li

Electrostatic accelerator dielectrics

International Nuclear Information System (INIS)

Cooke, C.M.

1989-05-01

High voltage insulation problems in electrostatic accelerators are discussed. The aim of the analysis is to broaden the knowledge, highlight the characteristics of insulation technology and design strategies to improve use. The basic geometry of the insulation in accelerators is considered. A detailed description of each of the insulation regions is provided. The gas gap insulation of the terminal voltage is found to be sensitive to regions of high electric stress. In order to obtain satisfactory performance from solid support insulation, the attention is focused on the electric stress value and distribution. Potential subjects for discussion and further investigations are given

Technique for enhancing the power output of an electrostatic generator employing parametric resonance

Science.gov (United States)

Post, Richard F.

2016-02-23

A circuit-based technique enhances the power output of electrostatic generators employing an array of axially oriented rods or tubes or azimuthal corrugated metal surfaces for their electrodes. During generator operation, the peak voltage across the electrodes occurs at an azimuthal position that is intermediate between the position of minimum gap and maximum gap. If this position is also close to the azimuthal angle where the rate of change of capacity is a maximum, then the highest rf power output possible for a given maximum allowable voltage at the minimum gap can be attained. This rf power output is then coupled to the generator load through a coupling condenser that prevents suppression of the dc charging potential by conduction through the load. Optimized circuit values produce phase shifts in the rf output voltage that allow higher power output to occur at the same voltage limit at the minimum gap position.

Innovative Electrostatic Adhesion Technologies

Science.gov (United States)

Bryan, Tom; Macleod, Todd; Gagliano, Larry; Williams, Scott; McCoy, Brian

2015-01-01

Developing specialized Electro-Static grippers (commercially used in Semiconductor Manufacturing and in package handling) will allow gentle and secure Capture, Soft Docking, and Handling of a wide variety of materials and shapes (such as upper-stages, satellites, arrays, and possibly asteroids) without requiring physical features or cavities for a pincher or probe or using harpoons or nets. Combined with new rigid boom mechanisms or small agile chaser vehicles, flexible, high speed Electro-Static Grippers can enable compliant capture of spinning objects starting from a safe stand-off distance. Electroadhesion (EA) can enable lightweight, ultra-low-power, compliant attachment in space by using an electrostatic force to adhere similar and dissimilar surfaces. A typical EA enabled device is composed of compliant space-rated materials, such as copper-clad polyimide encapsulated by polymers. Attachment is induced by strong electrostatic forces between any substrate material, such as an exterior satellite panel and a compliant EA gripper pad surface. When alternate positive and negative charges are induced in adjacent planar electrodes in an EA surface, the electric fields set up opposite charges on the substrate and cause an electrostatic adhesion between the electrodes and the induced charges on the substrate. Since the electrodes and the polymer are compliant and can conform to uneven or rough surfaces, the electrodes can remain intimately close to the entire surface, enabling high clamping pressures. Clamping pressures of more than 3 N/cm2 in shear can be achieved on a variety of substrates with ultra-low holding power consumption (measured values are less than 20 microW/Newton weight held). A single EA surface geometry can be used to clamp both dielectric and conductive substrates, with slightly different physical mechanisms. Furthermore EA clamping requires no normal force be placed on the substrate, as conventional docking requires. Internally funded research and

A Solvatochromic Model Calibrates Nitriles’ Vibrational Frequencies to Electrostatic Fields

Science.gov (United States)

Bagchi, Sayan; Fried, Stephen D.; Boxer, Steven G.

2012-01-01

Electrostatic interactions provide a primary connection between a protein’s three-dimensional structure and its function. Infrared (IR) probes are useful because vibrational frequencies of certain chemical groups, such as nitriles, are linearly sensitive to local electrostatic field, and can serve as a molecular electric field meter. IR spectroscopy has been used to study electrostatic changes or fluctuations in proteins, but measured peak frequencies have not been previously mapped to total electric fields, because of the absence of a field-frequency calibration and the complication of local chemical effects such as H-bonds. We report a solvatochromic model that provides a means to assess the H-bonding status of aromatic nitrile vibrational probes, and calibrates their vibrational frequencies to electrostatic field. The analysis involves correlations between the nitrile’s IR frequency and its 13C chemical shift, whose observation is facilitated by a robust method for introducing isotopes into aromatic nitriles. The method is tested on the model protein Ribonuclease S (RNase S) containing a labeled p-CN-Phe near the active site. Comparison of the measurements in RNase S against solvatochromic data gives an estimate of the average total electrostatic field at this location. The value determined agrees quantitatively with MD simulations, suggesting broader potential for the use of IR probes in the study of protein electrostatics. PMID:22694663

Contribution of electrostatics to the binding of pancreatic-type ribonucleases to membranes.

Science.gov (United States)

Sundlass, Nadia K; Eller, Chelcie H; Cui, Qiang; Raines, Ronald T

2013-09-17

Pancreatic-type ribonucleases show clinical promise as chemotherapeutic agents but are limited in efficacy by the inefficiency of their uptake by human cells. Cellular uptake can be increased by the addition of positive charges to the surface of ribonucleases, either by site-directed mutagenesis or by chemical modification. This observation has led to the hypothesis that ribonuclease uptake by cells depends on electrostatics. Here, we use a combination of experimental and computational methods to ascertain the contribution of electrostatics to the cellular uptake of ribonucleases. We focus on three homologous ribonucleases: Onconase (frog), ribonuclease A (cow), and ribonuclease 1 (human). Our results support the hypothesis that electrostatics are necessary for the cellular uptake of Onconase. In contrast, specific interactions with cell-surface components likely contribute more to the cellular uptake of ribonuclease A and ribonuclease 1 than do electrostatics. These findings provide insight for the design of new cytotoxic ribonucleases.

Lunar electrostatic effects and protection

International Nuclear Information System (INIS)

Sun, Yongwei; Yuan, Qingyun; Xiong, Jiuliang

2013-01-01

The space environment and features on the moon surface are factors in strong electrostatic electrification. Static electricity will be produced in upon friction between lunar soil and detectors or astronauts on the lunar surface. Lunar electrostatic environment effects from lunar exploration equipment are very harmful. Lunar dust with electrostatic charge may enter the equipment or even cover the instruments. It can affect the normal performance of moon detectors. Owing to the huge environmental differences between the moon and the earth, the electrostatic protection technology on the earth can not be applied. In this paper, we review the electrostatic characteristics of lunar dust, its effects on aerospace equipment and moon static elimination technologies. It was concluded that the effect of charged lunar dust on detectors and astronauts should be completely researched as soon as possible.

Low-frequency electrostatic waves in the ionospheric E region

Energy Technology Data Exchange (ETDEWEB)

Krane, B [NDRE, Box 25, N-2027 Kjeller (Norway); Pecseli, H L; Sato, H [Physics Department, University of Oslo, PO Box 1048 Blindern, N-0316 Oslo (Norway); Trulsen, J [Institute of Theoretical Astrophysics, University of Oslo, PO Box 1029 Blindern, N-0315 Oslo (Norway); Wernik, A W, E-mail: hans.pecseli@fys.uio.n [Space Research Center, Polish Academy of Sciences, ul. Bartycka 18a, 00-716 Warsaw (Poland)

2010-06-15

Low-frequency electrostatic waves in the ionospheric E region are studied by analyzing data obtained by instrumented rockets. We identify the origin of the enhanced fluctuation level to be the Farley-Buneman instability. The basic information on instability, such as altitude varying spectra and speed of propagation are obtained. Comparison of power spectra for the fluctuations in plasma density and electrostatic potential, respectively, provides information on the electron dynamics. A bispectral analysis gives indications of phase-coherent couplings within the wave spectrum, while higher order structure functions indicate some intermittent features of the turbulence.

APBSmem: a graphical interface for electrostatic calculations at the membrane.

Directory of Open Access Journals (Sweden)

Keith M Callenberg

2010-09-01

Full Text Available Electrostatic forces are one of the primary determinants of molecular interactions. They help guide the folding of proteins, increase the binding of one protein to another and facilitate protein-DNA and protein-ligand binding. A popular method for computing the electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB equation, and there are several easy-to-use software packages available that solve the PB equation for soluble proteins. Here we present a freely available program, called APBSmem, for carrying out these calculations in the presence of a membrane. The Adaptive Poisson-Boltzmann Solver (APBS is used as a back-end for solving the PB equation, and a Java-based graphical user interface (GUI coordinates a set of routines that introduce the influence of the membrane, determine its placement relative to the protein, and set the membrane potential. The software Jmol is embedded in the GUI to visualize the protein inserted in the membrane before the calculation and the electrostatic potential after completing the computation. We expect that the ease with which the GUI allows one to carry out these calculations will make this software a useful resource for experimenters and computational researchers alike. Three examples of membrane protein electrostatic calculations are carried out to illustrate how to use APBSmem and to highlight the different quantities of interest that can be calculated.

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase

Energy Technology Data Exchange (ETDEWEB)

Heinemann, Thomas, E-mail: thomas.heinemann@tu-berlin.de; Klapp, Sabine H. L., E-mail: klapp@physik.tu-berlin.de [Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Palczynski, Karol, E-mail: karol.palczynski@helmholtz-berlin.de; Dzubiella, Joachim, E-mail: joachim.dzubiella@helmholtz-berlin.de [Institut für Physik, Humboldt Universität zu Berlin, Newtonstraße 15, 12489 Berlin (Germany); Institut für Weiche Materie und Funktionale Materialen, Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner Platz 1, 14109 Berlin (Germany)

2015-11-07

In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene.

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase

International Nuclear Information System (INIS)

Heinemann, Thomas; Klapp, Sabine H. L.; Palczynski, Karol; Dzubiella, Joachim

2015-01-01

In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene

Clustering of carboxylated magnetite nanoparticles through polyethylenimine: Covalent versus electrostatic approach

Energy Technology Data Exchange (ETDEWEB)

Tóth, Ildikó Y., E-mail: Ildiko.Toth@chem.u-szeged.hu [Department of Physical Chemistry and Materials Science, University of Szeged, Aradi vt. square 1, Szeged (Hungary); Nesztor, Dániel [Department of Physical Chemistry and Materials Science, University of Szeged, Aradi vt. square 1, Szeged (Hungary); Novák, Levente [Department of Colloid and Environmental Chemistry, University of Debrecen, Egyetem square 1, Debrecen (Hungary); Illés, Erzsébet; Szekeres, Márta; Szabó, Tamás [Department of Physical Chemistry and Materials Science, University of Szeged, Aradi vt. square 1, Szeged (Hungary); Tombácz, Etelka, E-mail: tombacz@chem.u-szeged.hu [Department of Physical Chemistry and Materials Science, University of Szeged, Aradi vt. square 1, Szeged (Hungary)

2017-04-01

Carboxylated magnetite nanoparticles (MNPs) are frequently used to develop materials with enhanced properties for MRI and hyperthermia. The controlled clustering of MNPs via covalent or electrostatic approaches provides opportunity to prepare high quality materials. MNPs were prepared by co-precipitation and coated by poly(acrylic acid-co-maleic acid) (PAM@MNP). The clusters were synthesized from purified PAM@MNPs and polyethylenimine (PEI) solution via electrostatic interaction and covalent bond formation (ES-cluster and CB-cluster, respectively). The electrostatic adhesion (–NH{sub 3}{sup +} and –COO{sup –}) and the formed amide bond were confirmed by ATR-FTIR. The averaged area of CB-clusters was about twice as large as that of ES-cluster, based on TEM. The SAXS results showed that the surface of MNPs was smooth and the nanoparticles were close packed in both clusters. The pH-dependent aggregation state and zeta potential of clusters were characterized by DLS and electrophoresis measurements, the clusters were colloidally stable at pH>5. In hyperthermia experiments, the values of SAR were about two times larger for the chemically bonded cluster. The MRI studies showed exceptionally high transversion relaxivities, the r{sub 2} values are 457 mM{sup −1} s{sup −1} and 691 mM{sup −1} s{sup −1} for ES-cluster and CB-cluster, respectively. Based on these results, the chemically clustered product shows greater potential for feasible biomedical applications. - Highlights: • Chemically bonded clusters (CB-cluster) were prepared from PEI and PAM-coated MNPs. • The electrostatically clustered units (ES-cluster) are smaller and more compact. • The electrostatic adhesion and the amide bond formation were confirmed by ATR-FTIR. • CB-cluster dispersions are colloidally stable under physiological conditions. • CB-cluster shows great potential for application in MRI and hyperthermia.

Electrostatic phenomena in volcanic eruptions

Energy Technology Data Exchange (ETDEWEB)

Lane, S J; James, M R; Gilbert, J S, E-mail: s.lane@lancaster.ac.uk [Lancaster Environment Centre, Lancaster University, Lancaster LA1 4YQ (United Kingdom)

2011-06-23

Electrostatic phenomena have long been associated with the explosive eruption of volcanoes. Lightning generated in volcanic plumes is a spectacular atmospheric electrical event that requires development of large potential gradients over distances of up to kilometres. This process begins as hydrated liquid rock (magma) ascends towards Earth's surface. Pressure reduction causes water supersaturation in the magma and the development of bubbles of supercritical water, where deeper than c. 1000 m, and water vapour at shallower depths that drives flow expansion. The generation of high strain rates in the expanding bubbly magma can cause it to fracture in a brittle manner, as deformation relaxation timescales are exceeded. The brittle fracture provides the initial charge separation mechanism, known as fractoemission. The resulting mixture of charged silicate particles and ions evolves over time, generating macro-scale potential gradients in the atmosphere and driving processes such as particle aggregation. For the silicate particles, aggregation driven by electrostatic effects is most significant for particles smaller than c. 100 {mu}m. Aggregation acts to change the effective aerodynamic behaviour of silicate particles, thus altering the sedimentation rates of particles from volcanic plumes from the atmosphere. The presence of liquid phases also promotes aggregation processes and lightning.

Investigation on Electrostatical Breakup of Bio-Oil Droplets

Directory of Open Access Journals (Sweden)

John Z. Wen

2012-10-01

Full Text Available In electrostatic atomization, the input electrical energy causes breaking up of the droplet surface by utilizing a mutual repulsion of net charges accumulating on that surface. In this work a number of key parameters controlling the bio-oil droplet breakup process are identified and these correlations among the droplet size distribution, specific charges of droplets and externally applied electrical voltages are quantified. Theoretical considerations of the bag or strip breakup mechanism of biodiesel droplets experiencing electrostatic potential are compared to experimental outcomes. The theoretical analysis suggests the droplet breakup process is governed by the Rayleigh instability condition, which reveals the effects of droplets size, specific charge, surface tension force, and droplet velocities. Experiments confirm that the average droplet diameters decrease with increasing specific charges and this decreasing tendency is non-monotonic due to the motion of satellite drops in the non-uniform electrical field. The measured specific charges are found to be smaller than the theoretical values. And the energy transformation from the electrical energy to surface energy, in addition to the energy loss, Taylor instability breakup, non-excess polarization and some system errors, accounts for this discrepancy. The electrostatic force is the dominant factor controlling the mechanism of biodiesel breakup in electrostatic atomization.

Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts

Directory of Open Access Journals (Sweden)

Christian Holm

2013-10-01

Full Text Available Coarse-grained models of soft matter are usually combined with implicit solvent models that take the electrostatic polarizability into account via a dielectric background. In biophysical or nanoscale simulations that include water, this constant can vary greatly within the system. Performing molecular dynamics or other simulations that need to compute exact electrostatic interactions between charges in those systems is computationally demanding. We review here several algorithms developed by us that perform exactly this task. For planar dielectric surfaces in partial periodic boundary conditions, the arising image charges can be either treated with the MMM2D algorithm in a very efficient and accurate way or with the electrostatic layer correction term, which enables the user to use his favorite 3D periodic Coulomb solver. Arbitrarily-shaped interfaces can be dealt with using induced surface charges with the induced charge calculation (ICC* algorithm. Finally, the local electrostatics algorithm, MEMD(Maxwell Equations Molecular Dynamics, even allows one to employ a smoothly varying dielectric constant in the systems. We introduce the concepts of these three algorithms and an extension for the inclusion of boundaries that are to be held fixed at a constant potential (metal conditions. For each method, we present a showcase application to highlight the importance of dielectric interfaces.

Electrostatics of DNA-DNA juxtapositions: consequences for type II topoisomerase function

International Nuclear Information System (INIS)

Randall, Graham L; Pettitt, B Montgomery; Buck, Gregory R; Zechiedrich, E Lynn

2006-01-01

Type II topoisomerases resolve problematic DNA topologies such as knots, catenanes, and supercoils that arise as a consequence of DNA replication and recombination. Failure to remove problematic DNA topologies prohibits cell division and can result in cell death or genetic mutation. Such catastrophic consequences make topoisomerases an effective target for antibiotics and anticancer agents. Despite their biological and clinical importance, little is understood about how a topoisomerase differentiates DNA topologies in a molecule that is significantly larger than the topoisomerase itself. It has been proposed that type II topoisomerases recognize angle and curvature between two DNA helices characteristic of knotted and catenated DNA to account for the enzyme's preference to unlink instead of link DNA. Here we consider the electrostatic potential of DNA juxtapositions to determine the possibility of juxtapositions occurring through Brownian diffusion. We found that despite the large negative electrostatic potential formed between two juxtaposed DNA helices, a bulk counterion concentration as small as 50 mM provides sufficient electrostatic screening to prohibit significant interaction beyond an interhelical separation of 3 nm in both hooked and free juxtapositions. This suggests that instead of electrostatics, mechanical forces such as those occurring in anaphase, knots, catenanes, or the writhe of supercoiled DNA may be responsible for the formation of DNA juxtapositions

Proton emission with a screened electrostatic barrier

Energy Technology Data Exchange (ETDEWEB)

Budaca, R. [Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele (Romania); Academy of Romanian Scientists, Bucharest (Romania); Budaca, A.I. [Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele (Romania)

2017-08-15

Half-lives of proton emission for Z ≥ 51 nuclei are calculated within a simple analytical model based on the WKB approximation for the barrier penetration probability which includes the centrifugal and overlapping effects besides the electrostatic repulsion. The model has a single free parameter associated to a Hulthen potential which emulates a Coulomb electrostatic interaction only at short distance. The agreement with experimental data is very good for most of the considered nuclei. Theoretical predictions are made for few cases with uncertain emitting state configuration or incomplete decay information. The model's assignment of the proton orbital momentum is in agreement with the differentiation of the experimental data by orbital momentum values realized with a newly introduced correlation formula. (orig.)

Structure-Function Correlation Analysis of Connexin50 Missense Mutations Causing Congenital Cataract: Electrostatic Potential Alteration Could Determine Intracellular Trafficking Fate of Mutants

Directory of Open Access Journals (Sweden)

Devroop Sarkar

2014-01-01

Full Text Available Connexin50 (Cx50 mutations are reported to cause congenital cataract probably through the disruption of intercellular transport in the lens. Cx50 mutants that undergo mistrafficking have generally been associated with failure to form functional gap junction channels; however, sometimes even properly trafficked mutants were found to undergo similar consequences. We hereby wanted to elucidate any structural bases of the varied functional consequences of Cx50 missense mutations through in silico approach. Computational studies have been done based on a Cx50 homology model to assess conservation, solvent accessibility, and 3-dimensional localization of mutated residues as well as mutation-induced changes in surface electrostatic potential, H-bonding, and steric clash. This was supplemented with meta-analysis of published literature on the functional properties of connexin missense mutations. Analyses revealed that the mutation-induced critical alterations of surface electrostatic potential in Cx50 mutants could determine their fate in intracellular trafficking. A similar pattern was observed in case of mutations involving corresponding conserved residues in other connexins also. Based on these results the trafficking fates of 10 uncharacterized Cx50 mutations have been predicted. Further experimental analyses are needed to validate the observed correlation.

Electrostatic influence in a wire chamber. Choice of geometric parameters of a chamber

International Nuclear Information System (INIS)

Comparat, V.; Ovazza, D.

1979-01-01

The MWPC electrostatic properties are studied: a positive ponctual charge is put near an anode wire and induced charges on all electrodes of MWPC and their variations with the position of the positive charge are determined. So the best choice for geometrical parameters of a PWPC is given [fr

Electrostatic coupling of ion pumps.

Science.gov (United States)

Nieto-Frausto, J; Lüger, P; Apell, H J

1992-01-01

In this paper the electrostatic interactions between membrane-embedded ion-pumps and their consequences for the kinetics of pump-mediated transport processes have been examined. We show that the time course of an intrinsically monomolecular transport reaction can become distinctly nonexponential, if the reaction is associated with charge translocation and takes place in an aggregate of pump molecules. First we consider the electrostatic coupling of a single dimer of ion-pumps embedded in the membrane. Then we apply the treatment to the kinetic analysis of light-driven proton transport by bacteriorhodopsin which forms two-dimensional hexagonal lattices. Finally, for the case of nonordered molecules, we also consider a model in which the pumps are randomly distributed over the nodes of a lattice. Here the average distance is equal to that deduced experimentally and the elemental size of the lattice is the effective diameter of one single pump. This latter model is applied to an aggregate of membrane-embedded Na, K- and Ca-pumps. In all these cases the electrostatic potential considered is the exact solution calculated from the method of electrical images for a plane membrane of finite thickness immersed in an infinite aqueous solution environment. The distributions of charges (ions or charged binding sites) are considered homogeneous or discrete in the membrane and/or in the external solution. In the case of discrete distributions we compare the results from a mean field approximation and a stochastic simulation.

Electrostatic Charging and Particle Interactions in Microscopic Insulating Grains

Science.gov (United States)

Lee, Victor

In this thesis, we experimentally investigate the electrostatic charging as well as the particle interactions in microscopic insulating grains. First, by tracking individual grains accelerated in an electric field, we quantitatively demonstrate that tribocharging of same-material grains depends on particle size. Large grains tend to charge positively, and small ones tend to charge negatively. Theories based on the transfer of trapped electrons can explain this tendency but have not been validated. Here we show that the number of trapped electrons, measured independently by a thermoluminescence technique, is orders of magnitude too small to be responsible for the amount of charge transferred. This result reveals that trapped electrons are not responsible for same-material tribocharging of dielectric particles. Second, same-material tribocharging in grains can result in important long-range electrostatic interactions. However, how these electrostatic interactions contribute to particle clustering remains elusive, primarily due to the lack of direct, detailed observations. Using a high-speed camera that falls with a stream charged grains, we observe for the first time how charged grains can undergo attractive as well as repulsive Kepler-like orbits. Charged particles can be captured in their mutual electrostatic potential and form clusters via multiple bounces. Dielectric polarization effects are directly observed, which lead to additional attractive forces and stabilize "molecule-like" arrangements of charged particles. Third, we have developed a new method to study the charge transfer of microscopic particles based on acoustic levitation techniques. This method allows us to narrow the complex problem of many-particle charging down to precise charge measurements of a single sub-millimeter particle colliding with a target plate. By simply attaching nonpolar groups onto glass surfaces, we show that the contact charging of a particle is highly dependent on

The first step in layer-by-layer deposition: Electrostatics and/or non-electrostatics?

NARCIS (Netherlands)

Lyklema, J.; Deschênes, L.

2011-01-01

A critical discussion is presented on the properties and prerequisites of adsorbed polyelectrolytes that have to function as substrates for further layer-by-layer deposition. The central theme is discriminating between the roles of electrostatic and non-electrostatic interactions. In order to

New Distributed Multipole Methods for Accurate Electrostatics for Large-Scale Biomolecular Simultations

Science.gov (United States)

Sagui, Celeste

2006-03-01

An accurate and numerically efficient treatment of electrostatics is essential for biomolecular simulations, as this stabilizes much of the delicate 3-d structure associated with biomolecules. Currently, force fields such as AMBER and CHARMM assign ``partial charges'' to every atom in a simulation in order to model the interatomic electrostatic forces, so that the calculation of the electrostatics rapidly becomes the computational bottleneck in large-scale simulations. There are two main issues associated with the current treatment of classical electrostatics: (i) how does one eliminate the artifacts associated with the point-charges (e.g., the underdetermined nature of the current RESP fitting procedure for large, flexible molecules) used in the force fields in a physically meaningful way? (ii) how does one efficiently simulate the very costly long-range electrostatic interactions? Recently, we have dealt with both of these challenges as follows. In order to improve the description of the molecular electrostatic potentials (MEPs), a new distributed multipole analysis based on localized functions -- Wannier, Boys, and Edminston-Ruedenberg -- was introduced, which allows for a first principles calculation of the partial charges and multipoles. Through a suitable generalization of the particle mesh Ewald (PME) and multigrid method, one can treat electrostatic multipoles all the way to hexadecapoles all without prohibitive extra costs. The importance of these methods for large-scale simulations will be discussed, and examplified by simulations from polarizable DNA models.

A strong focussing cylindrical electrostatic quadrupole

International Nuclear Information System (INIS)

Sheng Yaochang

1986-01-01

The construction and performance of small cylindrical electrostatic quadrupole, which is installed in JM-400 pulse electrostatic accelerator, are described. This electrostatic quadrupole is not only used in neutron generator, but also suitable for ion injector as well as for low energy electron accelerator

Hydraulically amplified self-healing electrostatic actuators with muscle-like performance

Science.gov (United States)

Acome, E.; Mitchell, S. K.; Morrissey, T. G.; Emmett, M. B.; Benjamin, C.; King, M.; Radakovitz, M.; Keplinger, C.

2018-01-01

Existing soft actuators have persistent challenges that restrain the potential of soft robotics, highlighting a need for soft transducers that are powerful, high-speed, efficient, and robust. We describe a class of soft actuators, termed hydraulically amplified self-healing electrostatic (HASEL) actuators, which harness a mechanism that couples electrostatic and hydraulic forces to achieve a variety of actuation modes. We introduce prototypical designs of HASEL actuators and demonstrate their robust, muscle-like performance as well as their ability to repeatedly self-heal after dielectric breakdown—all using widely available materials and common fabrication techniques. A soft gripper handling delicate objects and a self-sensing artificial muscle powering a robotic arm illustrate the wide potential of HASEL actuators for next-generation soft robotic devices.

Electrostatic Detumble of Space Objects

Data.gov (United States)

National Aeronautics and Space Administration — Electrostatic Tractor Technology research explores the harmony of physics and engineering to develop and test electrostatic actuation methods for touchless detumble...

Interaction dynamics of electrostatic solitary waves

Directory of Open Access Journals (Sweden)

V. L. Krasovsky

1999-01-01

Full Text Available Interaction of nonlinear electrostatic pulses associated with electron phase density holes moving in a collisionless plasma is studied. An elementary event of the interaction is analyzed on the basis of the energy balance in the system consisting of two electrostatic solitary waves. It is established that an intrinsic property of the system is a specific irreversibility caused by a nonadiabatic modification of the internal structure of the holes and their effective heating in the process of the interaction. This dynamical irreversibility is closely connected with phase mixing of the trapped electrons comprising the holes and oscillating in the varying self-consistent potential wells. As a consequence of the irreversibility, the "collisions" of the solitary waves should be treated as "inelastic" ones. This explains the general tendency to the merging of the phase density holes frequently observed in numerical simulation and to corresponding coupling of the solitary waves.

Electrostatic potential of mean force between two curved surfaces in the presence of counterion connectivity

Science.gov (United States)

Zhou, Shiqi

2015-11-01

In this paper, we investigate effects of counterion connectivity (i.e., association of the counterions into a chain molecule) on the electrostatic potential of mean force (EPMF) between two similarly charged cylinder rods in a primitive model electrolyte solution by solving a classical density functional theory. The main findings include the following: (i) The counterion connectivity helps in inducing a like-charge-attractionlike (LCA-like) phenomenology even in a monovalent counterion solution wherein the LCA-like observation generally does not occur without the counterion connectivity. (ii) For divalent counterion solutions, the counterion connectivity can reinforce or weaken the LCA-like observation depending on the chain length N , and simply increases the equilibrium nearest surface separation of the rods corresponding to the minimum EPMF to nearly three times the counterion site diameter, whether N is large or small. (iii) If N is large enough, the LCA-like strength tends to be negatively correlated with the electrolyte concentration c over the entire range of the rod surface charge magnitude | σ*| considered; whereas if N drops, the correlation tends to become positive with decrease of the | σ*| value, and particularly for modest | σ*| values, the correlation relationship exhibits an extreme value phenomenon. (iv) In the case of a 1:1 electrolyte, the EPMF effects of the diameters of counterion and coion sites are similar in both situations with and without the counterion connectivity. All of these findings can be explained self-consistently by a recently proposed hydrogen-bonding style mechanism reinforced by one additional concept: flexibility of the counterion chain and the factors affecting it, like N and counterion site valence.

Electrostatic Levitator Layout

Science.gov (United States)

1998-01-01

Electrostatic Levitator (ESL) general layout with captions. The ESL uses static electricity to suspend an object (about 2-3 mm in diameter) inside a vacuum chamber while a laser heats the sample until it melts. This lets scientists record a wide range of physical properties without the sample contacting the container or any instruments, conditions that would alter the readings. The Electrostatic Levitator is one of several tools used in NASA's microgravity materials science program.

Direct Analysis of Large Living Organism by Megavolt Electrostatic Ionization Mass Spectrometry

Science.gov (United States)

Ng, Kwan-Ming; Tang, Ho-Wai; Man, Sin-Heng; Mak, Pui-Yuk; Choi, Yi-Ching; Wong, Melody Yee-Man

2014-09-01

A new ambient ionization method allowing the direct chemical analysis of living human body by mass spectrometry (MS) was developed. This MS method, namely Megavolt Electrostatic Ionization Mass Spectrometry, is based on electrostatic charging of a living individual to megavolt (MV) potential, illicit drugs, and explosives on skin/glove, flammable solvent on cloth/tissue paper, and volatile food substances in breath were readily ionized and detected by a mass spectrometer.

Heating of charged particles by electrostatic wave propagating perpendicularly to uniform magnetic field

International Nuclear Information System (INIS)

Niu, Keishiro; Shimojo, Takashi.

1978-02-01

Increase in kinetic energy of a charged particle, affected by an electrostatic wave propagating perpendicularly to a uniform magnetic field, is obtained for both the initial and later stages. Detrapping time of the particle from the potential dent of the electrostatic wave and energy increase during trapping of the particle is analytically derived. Numerical simulations are carried out to support theoretical results. (auth.)

2D MEMS electrostatic cantilever waveguide scanner for potential image display application

Directory of Open Access Journals (Sweden)

Gu Kebin

2015-01-01

Full Text Available This paper presents the current status of our micro-fabricated SU-8 2D electrostatic cantilever waveguide scanner. The current design utilizes a monolithically integrated electrostatic push-pull actuator. A 4.0 μm SU-8 rib waveguide design allows a relatively large core cross section (4μm in height and 20 μm in width to couple with existing optical fiber and a broad band single mode operation (λ= 0.7μm to 1.3μm with minimal transmission loss (85% to 87% output transmission efficiency with Gaussian beam profile input. A 2D scanning motion has been successfully demonstrated with two fundamental resonances found at 202 and 536 Hz in vertical and horizontal directions. A 130 μm and 19 μm, corresponding displacement and 0.062 and 0.009 rad field of view were observed at a +150V input. Beam divergence from the waveguide was corrected by a focusing GRIN lens and a 5μm beam diameter is observed at the focal plane. The transmission efficiency is low (~10% and cantilever is slightly under tensile residual stress due to inherent imperfection in the process and tooling in fabrication. However, 2D light scanning pattern was successfully demonstrated using 1-D push-pull actuation.

Effects of RNA branching on the electrostatic stabilization of viruses

NARCIS (Netherlands)

Erdemci-Tandogan, Gonca; Wagner, Jef; Schoot, Paul van der|info:eu-repo/dai/nl/102140618; Podgornik, Rudolf; Zandi, Roya

2016-01-01

Many single-stranded (ss) RNA viruses self assemble from capsid protein subunits and the nucleic acid to form an infectious virion. It is believed that the electrostatic interactions between the negatively charged RNA and the positively charged viral capsid proteins drive the encapsidation, although

Highly Tunable Electrostatic Nanomechanical Resonators

KAUST Repository

Kazmi, Syed Naveed Riaz

2017-11-24

There has been significant interest towards highly tunable resonators for on-demand frequency selection in modern communication systems. Here, we report highly tunable electrostatically actuated silicon-based nanomechanical resonators. In-plane doubly-clamped bridges, slightly curved as shallow arches due to residual stresses, are fabricated using standard electron beam lithography and surface nanomachining. The resonators are designed such that the effect of mid-plane stretching dominates the softening effect of the electrostatic force. This is achieved by controlling the gap-to-thickness ratio and by exploiting the initial curvature of the structure from fabrication. We demonstrate considerable increase in the resonance frequency of nanoresonators with the dc bias voltages up to 108% for 180 nm thick structures with a transduction gap of 1 $mu$m separating them from the driving/sensing electrodes. The experimental results are found in good agreement with those of a nonlinear analytical model based on the Euler-Bernoulli beam theory. As a potential application, we demonstrate a tunable narrow band-pass filter using two electrically coupled nanomechanical arch resonators with varied dc bias voltages.

Highly Tunable Electrostatic Nanomechanical Resonators

KAUST Repository

Kazmi, Syed Naveed Riaz; Hajjaj, Amal Z.; Hafiz, Md Abdullah Al; Da Costa, Pedro M. F. J.; Younis, Mohammad I.

2017-01-01

There has been significant interest towards highly tunable resonators for on-demand frequency selection in modern communication systems. Here, we report highly tunable electrostatically actuated silicon-based nanomechanical resonators. In-plane doubly-clamped bridges, slightly curved as shallow arches due to residual stresses, are fabricated using standard electron beam lithography and surface nanomachining. The resonators are designed such that the effect of mid-plane stretching dominates the softening effect of the electrostatic force. This is achieved by controlling the gap-to-thickness ratio and by exploiting the initial curvature of the structure from fabrication. We demonstrate considerable increase in the resonance frequency of nanoresonators with the dc bias voltages up to 108% for 180 nm thick structures with a transduction gap of 1 $mu$m separating them from the driving/sensing electrodes. The experimental results are found in good agreement with those of a nonlinear analytical model based on the Euler-Bernoulli beam theory. As a potential application, we demonstrate a tunable narrow band-pass filter using two electrically coupled nanomechanical arch resonators with varied dc bias voltages.

Perspectives of an acoustic–electrostatic/electrodynamic hybrid levitator for small fluid and solid samples

International Nuclear Information System (INIS)

Lierke, E G; Holitzner, L

2008-01-01

The feasibility of an acoustic–electrostatic hybrid levitator for small fluid and solid samples is evaluated. A proposed design and its theoretical assessment are based on the optional implementation of simple hardware components (ring electrodes) and standard laboratory equipment into typical commercial ultrasonic standing wave levitators. These levitators allow precise electrical charging of drops during syringe- or ink-jet-type deployment. The homogeneous electric 'Millikan field' between the grounded ultrasonic transducer and the electrically charged reflector provide an axial compensation of the sample weight in an indifferent equilibrium, which can be balanced by using commercial optical position sensors in combination with standard electronic PID position control. Radial electrostatic repulsion forces between the charged sample and concentric ring electrodes of the same polarity provide stable positioning at the centre of the levitator. The levitator can be used in a pure acoustic or electrostatic mode or in a hybrid combination of both subsystems. Analytical evaluations of the radial–axial force profiles are verified with detailed numerical finite element calculations under consideration of alternative boundary conditions. The simple hardware modification with implemented double-ring electrodes in ac/dc operation is also feasible for an electrodynamic/acoustic hybrid levitator

Pumping potential wells

International Nuclear Information System (INIS)

Hershkowitz, N.; Forest, C.; Wang, E.Y.; Intrator, T.

1987-01-01

Nonmonotonic plasma potential structures are a common feature of many double layers and sheaths. Steady state plasma potential wells separating regions having different plasma potentials are often found in laboratory experiments. In order to exist, such structures all must find a solution to a common problem. Ions created by charge exchange or ionization in the region of the potential well are electrostatically confined and tend to accumulate and fill up the potential well. The increase in positive charge should eliminate the well, but steady state structures are found in which the wells do not fill up. This means that it is important to take into account processes which 'pump' ions from the well. As examples of ion pumping of plasma wells, potential dips in front of a positively biased electron collecting anode in a relatively cold, low density multidipole plasma are considered. Pumping is provided by ion leaks from the edges of the potential dip or by oscillating the applied potential. In the former case the two dimensional character of the problem is shown to be important. (author)

Pumping potential wells

Science.gov (United States)

Hershkowitz, N.; Forest, C.; Wang, E. Y.; Intrator, T.

1987-01-01

Nonmonotonic plasma potential structures are a common feature of many double layers and sheaths. Steady state plasma potential wells separating regions having different plasma potentials are often found in laboratory experiments. In order to exist, such structures all must find a solution to a common problem. Ions created by charge exchange or ionization in the region of the potential well are electrostatically confined and tend to accumulate and fill up the potential well. The increase in positive charge should eliminate the well. Nevertheless, steady state structures are found in which the wells do not fill up. This means that it is important to take into account processes which 'pump' ions from the well. As examples of ion pumping of plasma wells, potential dips in front of a positively biased electro collecting anode in a relatively cold, low density multidipole plasma is considered. Pumping is provided by ion leaks from the edges of the potential dip or by oscillating the applied potential. In the former case the two dimensional character of the problem is shown to be important.

Pumping potential wells

International Nuclear Information System (INIS)

Hershkowitz, N.; Forest, C.; Wang, E.Y.; Intrator, T.

1987-01-01

Nonmonotonic plasma potential structures are a common feature of many double layers and sheaths. Steady state plasma potential wells separating regions having different plasma potentials are often found in laboratory experiments. In order to exist, all such structures must find a solution to a common problem. Ions created by charge exchange or ionization in the region of the potential well are electrostatically confined and tend to accumulate and fill up the potential well. The increase in positive charge should eliminate the well. Nevertheless, steady state structures are found in which the wells do not fill up. This means that it is important to take into account processes which pump ions from the well. As examples of ion pumping of plasma wells, potential dips in front of a positively biased electron collecting anode in a relatively cold, low density, multidipole plasma are considered. Pumping is provided by ion leaks from the edges of the potential dip or by oscillating the applied potential. In the former case the two-dimensional character of the problem is shown to be important

Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules

International Nuclear Information System (INIS)

Mereghetti, Paolo; Martinez, Michael; Wade, Rebecca C

2014-01-01

Brownian dynamics (BD) simulations can be used to study very large molecular systems, such as models of the intracellular environment, using atomic-detail structures. Such simulations require strategies to contain the computational costs, especially for the computation of interaction forces and energies. A common approach is to compute interaction forces between macromolecules by precomputing their interaction potentials on three-dimensional discretized grids. For long-range interactions, such as electrostatics, grid-based methods are subject to finite size errors. We describe here the implementation of a Debye-Hückel correction to the grid-based electrostatic potential used in the SDA BD simulation software that was applied to simulate solutions of bovine serum albumin and of hen egg white lysozyme. We found that the inclusion of the long-range electrostatic correction increased the accuracy of both the protein-protein interaction profiles and the protein diffusion coefficients at low ionic strength. An advantage of this method is the low additional computational cost required to treat long-range electrostatic interactions in large biomacromolecular systems. Moreover, the implementation described here for BD simulations of protein solutions can also be applied in implicit solvent molecular dynamics simulations that make use of gridded interaction potentials

Large amplitude dynamics of micro-/nanomechanical resonators actuated with electrostatic pulses

International Nuclear Information System (INIS)

Juillard, J.; Bonnoit, A.; Avignon, E.; Hentz, S.; Colinet, E.

2010-01-01

In the field of resonant nano-electro-mechanical system (NEMS) design, it is a common misconception that large-amplitude motion, and thus large signal-to-noise ratio, can only be achieved at the risk of oscillator instability. In the present paper, we show that very simple closed-loop control schemes can be used to achieve stable large-amplitude motion of a resonant structure even when jump resonance (caused by electrostatic softening or Duffing hardening) is present in its frequency response. We focus on the case of a resonant accelerometer sensing cell, consisting of a nonlinear clamped-clamped beam with electrostatic actuation and detection, maintained in an oscillation state with pulses of electrostatic force that are delivered whenever the detected signal (the position of the beam) crosses zero. We show that the proposed feedback scheme ensures the stability of the motion of the beam much beyond the critical Duffing amplitude and that, if the parameters of the beam are correctly chosen, one can achieve almost full-gap travel range without incurring electrostatic pull-in. These results are illustrated and validated with transient simulations of the nonlinear closed-loop system.

Electrostatic shock structures in dissipative multi-ion dusty plasmas

Science.gov (United States)

Elkamash, I. S.; Kourakis, I.

2018-06-01

A comprehensive analytical model is introduced for shock excitations in dusty bi-ion plasma mixtures, taking into account collisionality and kinematic (fluid) viscosity. A multicomponent plasma configuration is considered, consisting of positive ions, negative ions, electrons, and a massive charged component in the background (dust). The ionic dynamical scale is focused upon; thus, electrons are assumed to be thermalized, while the dust is stationary. A dissipative hybrid Korteweg-de Vries/Burgers equation is derived. An analytical solution is obtained, in the form of a shock structure (a step-shaped function for the electrostatic potential, or an electric field pulse) whose maximum amplitude in the far downstream region decays in time. The effect of relevant plasma configuration parameters, in addition to dissipation, is investigated. Our work extends earlier studies of ion-acoustic type shock waves in pure (two-component) bi-ion plasma mixtures.

Characterization of zonal flow generation in weak electrostatic turbulence

International Nuclear Information System (INIS)

Negrea, M; Petrisor, I; Weyssow, B

2008-01-01

The influence of the diamagnetic Kubo number, which is proportional to the diamagnetic drift velocity, on the zonal flow generation by an anisotropic stochastic electrostatic potential is considered from a semi-analytic point of view. The analysis is performed in the weak turbulence limit and as an analytical tool the decorrelation trajectory method is used. It is shown that the fragmentation of the drift wave structures (a signature of the zonal flow generation) is influenced not only by the anisotropy parameter and the electrostatic Kubo number as expected, but also by the diamagnetic Kubo number. Global Lagrangian averages of characteristic quantities are calculated and interpreted

Evaluation of an Electrostatic Dust Removal System with Potential Application in Next-Step Fusion Devices

International Nuclear Information System (INIS)

Friesen, F.Q.L.; John, B.; Skinner, C.H.; Roquemore, A.L.; Calle, C.I.

2011-01-01

The ability to manage inventories of carbon, tritium, and high-Z elements in fusion plasmas depends on means for effective dust removal. A dust conveyor, based on a moving electrostatic potential well, was tested with particles of tungsten, carbon, glass and sand. A digital microscope imaged a representative portion of the conveyor, and dust particle size and volume distributions were derived before and after operation. About 10 mm3 volume of carbon and tungsten particles were moved in under 5 seconds. The highest driving amplitude tested of 3 kV was the most effective. The optimal driving frequency was 210 Hz (maximum tested) for tungsten particles, decreasing to below 60 Hz for the larger sand particles. Measurements of particle size and volume distributions after 10 and 100 cycles show the breaking apart of agglomerated carbon, and the change in particle distribution over short timescales (<1 s).

Advances in electrostatic accelerators

International Nuclear Information System (INIS)

Wegner, H.E.

1975-01-01

Advances in the design and performance of electrostatic accelerators since 1969 are reviewed with special emphasis on the ''forefront'' accelerators that are currently leading in voltage capability. A comparison of the acceleration tube design offered by the National Electrostatics Corporation and the High Voltage Engineering Corporation is also made. Other methods of increasing heavy ion energy by means of dual foil stripping are discussed as well as the performance of a newly developed sputter ion source for the production of negative heavy ions with reliability and flexibility that greatly exceeds all other present systems. Finally, new developments in terms of both booster systems and very high voltage electrostatic accelerators (25 to 60 MV) are discussed. (U.S.)

Electrostatic Phenomena on Planetary Surfaces

Science.gov (United States)

Calle, Carlos I.

2017-02-01

The diverse planetary environments in the solar system react in somewhat different ways to the encompassing influence of the Sun. These different interactions define the electrostatic phenomena that take place on and near planetary surfaces. The desire to understand the electrostatic environments of planetary surfaces goes beyond scientific inquiry. These environments have enormous implications for both human and robotic exploration of the solar system. This book describes in some detail what is known about the electrostatic environment of the solar system from early and current experiments on Earth as well as what is being learned from the instrumentation on the space exploration missions (NASA, European Space Agency, and the Japanese Space Agency) of the last few decades. It begins with a brief review of the basic principles of electrostatics.

Brainstem Auditory Evoked Potential in HIV-Positive Adults.

Science.gov (United States)

Matas, Carla Gentile; Samelli, Alessandra Giannella; Angrisani, Rosanna Giaffredo; Magliaro, Fernanda Cristina Leite; Segurado, Aluísio C

2015-10-20

To characterize the findings of brainstem auditory evoked potential in HIV-positive individuals exposed and not exposed to antiretroviral treatment. This research was a cross-sectional, observational, and descriptive study. Forty-five HIV-positive individuals (18 not exposed and 27 exposed to the antiretroviral treatment - research groups I and II, respectively - and 30 control group individuals) were assessed through brainstem auditory evoked potential. There were no significant between-group differences regarding wave latencies. A higher percentage of altered brainstem auditory evoked potential was observed in the HIV-positive groups when compared to the control group. The most common alteration was in the low brainstem. HIV-positive individuals have a higher percentage of altered brainstem auditory evoked potential that suggests central auditory pathway impairment when compared to HIV-negative individuals. There was no significant difference between individuals exposed and not exposed to antiretroviral treatment.

Effect of electrostatic interactions on electron-transfer reactions

International Nuclear Information System (INIS)

Hickel, B.

1987-01-01

Fast reactions of electron transfer are studied by pulsed radiolysis. By this technique radicals and ionic radicals with high redox potentials are created homogeneously in the solution in about 10 -8 second. For solvated electron effect of electrostatic interaction on kinetics of reactions limited by diffusion is obtained with a good approximation by the Debye equation when ion mobility is known. Deviation from the theory occurs in ion pair formation, which is evidenced experimentally in reactions between anions when cations are complexed by a cryptate. Slow reactions k 8 M -1 s -1 are more sensitive to electrostatic interactions than reactions limited by diffusion. When there is no ion pair formation the velocity constant depends upon dielectric constant of the solvent and reaction distance. 17 refs

Electrical operation of electrostatic precipitators

CERN Document Server

Parker, Ken

2003-01-01

The electrostatic precipitator remains on of the most cost effective means of controlling the emission of particulates from most industrial processes. This book will be of interest to both users and suppliers of electrostatic precipitators as well as advanced students on environmental based courses. The author identifies the physical and engineering basis for the development of electrical equipment for electrostatic precipitators and thoroughly explores the technological factors which optimize the efficiency of the precipitator and hence minimize emissions, as well as future developments in th

Effect of the electrostatic surface potential on the oligomerization of full-length human recombinant prion protein at single-molecule level

Energy Technology Data Exchange (ETDEWEB)

Wang, Bin; Xu, Bingqian, E-mail: bxu@engr.uga.edu [Single Molecule Study Laboratory, College of Engineering and Nanoscale Science, and Engineering Center, University of Georgia, Athens, Georgia 30605 (United States); Lou, Zhichao [Single Molecule Study Laboratory, College of Engineering and Nanoscale Science, and Engineering Center, University of Georgia, Athens, Georgia 30605 (United States); College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Zhang, Haiqian [College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

2016-03-21

The electrostatic surface potential (ESP) of prion oligomers has critical influences on the aggregating processes of the prion molecules. The atomic force microscopy (AFM) and structural simulation were combined to investigate the molecular basis of the full-length human recombinant prion oligomerization on mica surfaces. The high resolution non-intrusive AFM images showed that the prion oligomers formed different patterns on mica surfaces at different buffer pH values. The basic binding units for the large oligomers were determined to be prion momoners (Ms), dimers (Ds), and trimers (Ts). The forming of the D and T units happened through the binding of hydrophobic β-sheets of the M units. In contrast, the α-helices of these M, D, and T units were the binding areas for the formation of large oligomers. At pH 4.5, the binding units M, D, and T showed clear polarized ESP distributions on the surface domains, while at pH 7.0, they showed more evenly distributed ESPs. Based on the conformations of oligomers observed from AFM images, the D and T units were more abundantly on mica surface at pH 4.5 because the ESP re-distribution of M units helped to stabilize these larger oligomers. The amino acid side chains involved in the binding interfaces were stabilized by hydrogen bonds and electrostatic interactions. The detailed analysis of the charged side chains at pH 4.5 indicated that the polarized ESPs induced the aggregations among M, D, and T to form larger oligomers. Therefore, the hydrogen bonds and electrostatic interactions worked together to form the stabilized prion oligomers.

Effect of the electrostatic surface potential on the oligomerization of full-length human recombinant prion protein at single-molecule level

International Nuclear Information System (INIS)

Wang, Bin; Xu, Bingqian; Lou, Zhichao; Zhang, Haiqian

2016-01-01

The electrostatic surface potential (ESP) of prion oligomers has critical influences on the aggregating processes of the prion molecules. The atomic force microscopy (AFM) and structural simulation were combined to investigate the molecular basis of the full-length human recombinant prion oligomerization on mica surfaces. The high resolution non-intrusive AFM images showed that the prion oligomers formed different patterns on mica surfaces at different buffer pH values. The basic binding units for the large oligomers were determined to be prion momoners (Ms), dimers (Ds), and trimers (Ts). The forming of the D and T units happened through the binding of hydrophobic β-sheets of the M units. In contrast, the α-helices of these M, D, and T units were the binding areas for the formation of large oligomers. At pH 4.5, the binding units M, D, and T showed clear polarized ESP distributions on the surface domains, while at pH 7.0, they showed more evenly distributed ESPs. Based on the conformations of oligomers observed from AFM images, the D and T units were more abundantly on mica surface at pH 4.5 because the ESP re-distribution of M units helped to stabilize these larger oligomers. The amino acid side chains involved in the binding interfaces were stabilized by hydrogen bonds and electrostatic interactions. The detailed analysis of the charged side chains at pH 4.5 indicated that the polarized ESPs induced the aggregations among M, D, and T to form larger oligomers. Therefore, the hydrogen bonds and electrostatic interactions worked together to form the stabilized prion oligomers.

Effect of the electrostatic surface potential on the oligomerization of full-length human recombinant prion protein at single-molecule level

Science.gov (United States)

Wang, Bin; Lou, Zhichao; Zhang, Haiqian; Xu, Bingqian

2016-03-01

The electrostatic surface potential (ESP) of prion oligomers has critical influences on the aggregating processes of the prion molecules. The atomic force microscopy (AFM) and structural simulation were combined to investigate the molecular basis of the full-length human recombinant prion oligomerization on mica surfaces. The high resolution non-intrusive AFM images showed that the prion oligomers formed different patterns on mica surfaces at different buffer pH values. The basic binding units for the large oligomers were determined to be prion momoners (Ms), dimers (Ds), and trimers (Ts). The forming of the D and T units happened through the binding of hydrophobic β-sheets of the M units. In contrast, the α-helices of these M, D, and T units were the binding areas for the formation of large oligomers. At pH 4.5, the binding units M, D, and T showed clear polarized ESP distributions on the surface domains, while at pH 7.0, they showed more evenly distributed ESPs. Based on the conformations of oligomers observed from AFM images, the D and T units were more abundantly on mica surface at pH 4.5 because the ESP re-distribution of M units helped to stabilize these larger oligomers. The amino acid side chains involved in the binding interfaces were stabilized by hydrogen bonds and electrostatic interactions. The detailed analysis of the charged side chains at pH 4.5 indicated that the polarized ESPs induced the aggregations among M, D, and T to form larger oligomers. Therefore, the hydrogen bonds and electrostatic interactions worked together to form the stabilized prion oligomers.

Proximity sensing of electrostatic induction electret nanoparticles device using separation electrode

Directory of Open Access Journals (Sweden)

Jianxiong Zhu

2017-04-01

Full Text Available We reported a two dimensional self-powered proximity sensor based on nanoparticles polytetrafluoroethylene (PTFE electrostatic induction electret using separation electrode. The structural pattern was carefully designed for identifying the specific position on the horizontal plane. When the separation electrode is motioned above the sensor, the induced charges on electrodes will change based on the coupling effect of the electret film. Experiment results showed that the proximity sensor works well with the velocity 0.05 m/s. We also found that the prototype have a good stability even with a huge uncontrolled perturbation on the Y direction. Our work could be a significant step forward in self-powered proximity sensing technology, with a wide range of potential applications in touchpad, robotics, and safety-monitoring device.

The impact of electrostatic correlations on Dielectrophoresis of Non-conducting Particles

Science.gov (United States)

Alidoosti, Elaheh; Zhao, Hui

2017-11-01

The dipole moment of a charged, dielectric, spherical particle under the influence of a uniform alternating electric field is computed theoretically and numerically by solving the modified continuum Poisson-Nernst-Planck (PNP) equations accounting for ion-ion electrostatic correlations that is important at concentrated electrolytes (Phys. Rev. Lett. 106, 2011). The dependence on the frequency, zeta potential, electrostatic correlation lengths, and double layer thickness is thoroughly investigated. In the limit of thin double layers, we carry out asymptotic analysis to develop simple models which are in good agreement with the modified PNP model. Our results suggest that the electrostatic correlations have a complicated impact on the dipole moment. As the electrostatic correlations length increases, the dipole moment decreases, initially, reach a minimum, and then increases since the surface conduction first decreases and then increases due to the ion-ion correlations. The modified PNP model can improve the theoretical predictions particularly at low frequencies where the simple model can't qualitatively predict the dipole moment. This work was supported, in part, by NIH R15GM116039.

Parametric study of non-relativistic electrostatic shocks and the structure of their transition layer

Energy Technology Data Exchange (ETDEWEB)

Dieckmann, M. E. [Institute of Physics and Astronomy, University of Potsdam, D-14476 Potsdam (Germany); Department of Science and Technology, Linkoeping University, SE-60174 Norrkoeping (Sweden); Ahmed, H.; Sarri, G.; Doria, D.; Kourakis, I.; Borghesi, M. [Centre for Plasma Physics, School of Mathematics and Physics, Queen' s University of Belfast, Belfast BT7 1NN (United Kingdom); Romagnani, L. [LULI, Ecole Polytechnique, CNRS, CEA, UPMC, 91128 Palaiseau (France); Pohl, M. [Institute of Physics and Astronomy, University of Potsdam, D-14476 Potsdam (Germany); DESY, D-15738 Zeuthen (Germany)

2013-04-15

Nonrelativistic electrostatic unmagnetized shocks are frequently observed in laboratory plasmas and they are likely to exist in astrophysical plasmas. Their maximum speed, expressed in units of the ion acoustic speed far upstream of the shock, depends only on the electron-to-ion temperature ratio if binary collisions are absent. The formation and evolution of such shocks is examined here for a wide range of shock speeds with particle-in-cell simulations. The initial temperatures of the electrons and the 400 times heavier ions are equal. Shocks form on electron time scales at Mach numbers between 1.7 and 2.2. Shocks with Mach numbers up to 2.5 form after tens of inverse ion plasma frequencies. The density of the shock-reflected ion beam increases and the number of ions crossing the shock thus decreases with an increasing Mach number, causing a slower expansion of the downstream region in its rest frame. The interval occupied by this ion beam is on a positive potential relative to the far upstream. This potential pre-heats the electrons ahead of the shock even in the absence of beam instabilities and decouples the electron temperature in the foreshock ahead of the shock from the one in the far upstream plasma. The effective Mach number of the shock is reduced by this electron heating. This effect can potentially stabilize nonrelativistic electrostatic shocks moving as fast as supernova remnant shocks.

Parametric study of non-relativistic electrostatic shocks and the structure of their transition layer

International Nuclear Information System (INIS)

Dieckmann, M. E.; Ahmed, H.; Sarri, G.; Doria, D.; Kourakis, I.; Borghesi, M.; Romagnani, L.; Pohl, M.

2013-01-01

Nonrelativistic electrostatic unmagnetized shocks are frequently observed in laboratory plasmas and they are likely to exist in astrophysical plasmas. Their maximum speed, expressed in units of the ion acoustic speed far upstream of the shock, depends only on the electron-to-ion temperature ratio if binary collisions are absent. The formation and evolution of such shocks is examined here for a wide range of shock speeds with particle-in-cell simulations. The initial temperatures of the electrons and the 400 times heavier ions are equal. Shocks form on electron time scales at Mach numbers between 1.7 and 2.2. Shocks with Mach numbers up to 2.5 form after tens of inverse ion plasma frequencies. The density of the shock-reflected ion beam increases and the number of ions crossing the shock thus decreases with an increasing Mach number, causing a slower expansion of the downstream region in its rest frame. The interval occupied by this ion beam is on a positive potential relative to the far upstream. This potential pre-heats the electrons ahead of the shock even in the absence of beam instabilities and decouples the electron temperature in the foreshock ahead of the shock from the one in the far upstream plasma. The effective Mach number of the shock is reduced by this electron heating. This effect can potentially stabilize nonrelativistic electrostatic shocks moving as fast as supernova remnant shocks.

A new infusion pathway monitoring system utilizing electrostatic induced potential.

Science.gov (United States)

Maki, Hiromichi; Yonezawa, Yoshiharu; Ogawa, Hidekuni; Ninomiya, Ishio; Sada, Kouji; Hamada, Shingo; Hahn, Alien W; Caldwell, W Morton

2006-01-01

We have developed a new infusion pathway monitoring system employing linear integrated circuits and a low-power 8-bit single chip microcomputer. The system is available for hospital and home use and it constantly monitors the intactness of the pathway. The sensor is an electro-conductive polymer electrode wrapped around the infusion polyvinyl chloride infusion tube. This records an AC (alternating current) voltage induced on the patient's body by electrostatic coupling from the normal 100 volt, 60 Hz AC power line wiring field in the patient's room. If the injection needle or infusion tube becomes detached, then the system detects changes in the induced AC voltage and alerts the nursing station, via the nurse call system or PHS (personal handy phone System).

Electrostatic septum, SPS

CERN Multimedia

1975-01-01

To minimize losses during slow extraction towards N- and W-Areas, electrostatic septa in long straight sections 2 an 6 precede the magnetic septa. The 2 electrode plates, visible at the entrance to the septum, provide a vertical electric field to remove the ions created by the circulating beam in the residual gas. Here we see one of the electrostatic septa being assembled by Faustin Emery (left) and Jacques Soubeyran (right), in the clean room of building 867. See also 7501199, 7501201, 7801286 and further explanations there.

Explosion safety in industrial electrostatics

Science.gov (United States)

Szabó, S. V.; Kiss, I.; Berta, I.

2011-01-01

Complicated industrial systems are often endangered by electrostatic hazards, both from atmospheric (lightning phenomenon, primary and secondary lightning protection) and industrial (technological problems caused by static charging and fire and explosion hazards.) According to the classical approach protective methods have to be used in order to remove electrostatic charging and to avoid damages, however no attempt to compute the risk before and after applying the protective method is made, relying instead on well-educated and practiced expertise. The Budapest School of Electrostatics - in close cooperation with industrial partners - develops new suitable solutions for probability based decision support (Static Control Up-to-date Technology, SCOUT) using soft computing methods. This new approach can be used to assess and audit existing systems and - using the predictive power of the models - to design and plan activities in industrial electrostatics.

Computational Methods for Biomolecular Electrostatics

Science.gov (United States)

Dong, Feng; Olsen, Brett; Baker, Nathan A.

2008-01-01

An understanding of intermolecular interactions is essential for insight into how cells develop, operate, communicate and control their activities. Such interactions include several components: contributions from linear, angular, and torsional forces in covalent bonds, van der Waals forces, as well as electrostatics. Among the various components of molecular interactions, electrostatics are of special importance because of their long range and their influence on polar or charged molecules, including water, aqueous ions, and amino or nucleic acids, which are some of the primary components of living systems. Electrostatics, therefore, play important roles in determining the structure, motion and function of a wide range of biological molecules. This chapter presents a brief overview of electrostatic interactions in cellular systems with a particular focus on how computational tools can be used to investigate these types of interactions. PMID:17964951

Electrostatic plasma lens for focusing negatively charged particle beams.

Science.gov (United States)

Goncharov, A A; Dobrovolskiy, A M; Dunets, S M; Litovko, I V; Gushenets, V I; Oks, E M

2012-02-01

We describe the current status of ongoing research and development of the electrostatic plasma lens for focusing and manipulating intense negatively charged particle beams, electrons, and negative ions. The physical principle of this kind of plasma lens is based on magnetic isolation electrons providing creation of a dynamical positive space charge cloud in shortly restricted volume propagating beam. Here, the new results of experimental investigations and computer simulations of wide-aperture, intense electron beam focusing by plasma lens with positive space charge cloud produced due to the cylindrical anode layer accelerator creating a positive ion stream towards an axis system is presented.

On electrostatic and Casimir force measurements between conducting surfaces in a sphere-plane configuration

International Nuclear Information System (INIS)

Kim, W J; Brown-Hayes, M; Brownell, J H; Dalvit, D A R; Onofrio, R

2009-01-01

We report on measurements of forces acting between two conducting surfaces in a spherical-plane configuration in the 35 nm-1 μm separation range. The measurements are obtained by performing electrostatic calibrations followed by a residuals analysis after subtracting the electrostatic-dependent component. We find in all runs optimal fitting of the calibrations for exponents smaller than the one predicted by electrostatics for an ideal sphere-plane geometry. We also find that the external bias potential necessary to minimize the electrostatic contribution depends on the sphere-plane distance. In spite of these anomalies, by implementing a parametrization-dependent subtraction of the electrostatic contribution we have found evidence for short-distance attractive forces of magnitude comparable to the expected Casimir-Lifshitz force. We finally discuss the relevance of our findings in the more general context of Casimir-Lifshitz force measurements, with particular regard to the critical issues of the electrical and geometrical characterization of the involved surfaces.

The electrostatic interaction of two point charges in equilibrium plasmas within the Debye approximation

International Nuclear Information System (INIS)

Filippov, A V

2015-01-01

This paper is devoted to a careful study of two charge interaction in an equilibrium plasma within the Debye approximation. The effect of external boundary conditions for the electric field strength and potential on the electrostatic force is studied. The problem is solved by the method of potential decomposition into Legendre polynomials up to the fifth multipole term included. It is shown that the effect of attraction of identically charged macroparticles is explained by the influence of the external boundary. When the size of a calculation cell is increased the attraction effect disappears and the electrostatic force is well described by the screened Debye-Hückel potential. (paper)

Preconceptual design for the electrostatic enclosure

International Nuclear Information System (INIS)

Meyer, L.C.

1992-09-01

This report presents a preconceptual design (design criteria and assumptions) for electrostatic enclosures to be used during buried transuranic waste recovery operations. These electrostatic enclosures (along with the application of dust control products) will provide an in-depth contamination control strategy. As part of this preconceptual design, options for electrostatic curtain design are given including both hardwall and fabric enclosures. Ventilation systems, doors, air locks, electrostatic curtains, and supporting systems also are discussed. In addition to the conceptual design, engineering scale tests are proposed to be run at the Test Reactor Area. The planned engineering scale tests will give final material specifications for full-scale retrieval demonstrations

Computational study of molecular electrostatic potential, docking and dynamics simulations of gallic acid derivatives as ABL inhibitors.

Science.gov (United States)

Raghi, K R; Sherin, D R; Saumya, M J; Arun, P S; Sobha, V N; Manojkumar, T K

2018-04-05

Chronic myeloid leukemia (CML), a hematological malignancy arises due to the spontaneous fusion of the BCR and ABL gene, resulting in a constitutively active tyrosine kinase (BCR-ABL). Pharmacological activity of Gallic acid and 1,3,4-Oxadiazole as potential inhibitors of ABL kinase has already been reported. Objective of this study is to evaluate the ABL kinase inhibitory activity of derivatives of Gallic acid fused with 1,3,4-Oxadiazole moieties. Attempts have been made to identify the key structural features responsible for drug likeness of the Gallic acid and the 1,3,4-Oxadiazole ring using molecular electrostatic potential maps (MESP). To investigate the inhibitory activity of Gallic acid derivatives towards the ABL receptor, we have applied molecular docking and molecular dynamics (MD) simulation approaches. A comparative study was performed using Bosutinib as the standard which is an approved CML drug acting on the same receptor. Furthermore, the novel compounds designed and reported here in were evaluated for ADME properties and the results indicate that they show acceptable pharmacokinetic properties. Accordingly these compounds are predicted to be drug like with low toxicity potential. Copyright © 2018 Elsevier Ltd. All rights reserved.

A force measurement system based on an electrostatic sensing and actuating technique for calibrating force in a micronewton range with a resolution of nanonewton scale

International Nuclear Information System (INIS)

Chen, Sheng-Jui; Pan, Sheau-Shi

2011-01-01

This paper introduces a force measurement system recently established at the Center for Measurement Standards, Industrial Technology Research Institute for calibrating forces in a micronewton range with a resolution of a few nanonewtons. The force balance consists of a monolithic flexure stage and a specially made capacitor for electrostatic sensing and actuating. The capacitor is formed by three electrodes which can be utilized as a capacitive position sensor and an electrostatic force actuator at the same time. Force balance control is implemented with a digital controller by which the signal of the stage deflection is acquired, filtered and fed back to the electrostatic force driver to bring the flexure stage to the null position. The detailed description of the apparatus including the design of a monolithic flexure stage, principle of capacitive position sensing/electrostatic actuation and the force balance control is given in the paper. Finally, we present the results of electrostatic force calibration and the weighing of a 1 mg wire weight

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

Science.gov (United States)

Koolivand, Amir

Surface electrostatic potential of a lipid bilayer governs many vital functions of living cells. Several classes of proteins are known of exhibiting strong binding preferences to curved lipid bilayer surfaces. In this project we employed electron paramagnetic resonance (EPR) of a recently introduced phospholipid (IMTSL-PTE) bearing a pH-sensitive nitroxide covalently attached to the lipid head group to measure the surface electrostatics of the lipid membrane and nanopore-confined lipid bilayers as a function of the bilayer curvature. The pKa of the ionizable group of this lipid-based spin probe is reporting on the bilayer surface electrostatics potential by changes in the EPR spectra. Specifically, both rotational dynamics and magnetic parameters of the nitroxide are affected by the probe protonation. Effect of curvature on the surface electrostatic potential and dynamics of lipid bilayer was studied for POPG and DMPG unilamellar vesicles (ULVs). It was found that the magnitude of the negative surface electrostatic potential increased upon decrease in the vesicle diameter for the bilayers in the fluid phase; however, no significant changes were observed for DMPG ULVs in a gel phase. We speculate that biologically relevant fluid bilayer phase allows for a larger variability in the lipid packing density in the lipid polar head group region than a more ordered gel phase and it is likely that the lipid flip-flop is responsible for pH equilibration of IMTSL-PTE. The kinetic EPR study of nitroxide reduction showed that the rate of flip-flop is in the order of 10-5 s-1. The flip-flop rate constant increases when vesicle size deceases. Oxygen permeability measured by X-ban EPR decreases in higher curved vesicles---an observation that is consistent with a tighter packing in smaller vesicles. Partitioning of a small nitroxide molecule TEMPO into ULVs was measured by X-band (9 GHz) and W-band (95 GHz) EPR spectroscopy. The partitioning coefficient of this probe in the lipid

Enhanced Cycling Stability of Lithium–Sulfur batteries by Electrostatic-Interaction

International Nuclear Information System (INIS)

Ma, Zhaoling; Huang, Xiaobing; Jiang, Qianqian; Huo, Jia; Wang, Shuangyin

2015-01-01

Highlights: • Electrostatic interaction is utilized to hinder the shuttling of polysulfides. • Directly functionalizing SG can better prolong the cycle life of Li–S batteries. • SG/PDDA showed significantly improved capacity retention. - Abstract: Lithiums–sulfur battery is considered as one of the most promising energy storage devices to replace the current Li ion batteries because of its high theoretical capacity of 1675 mA h g −1 . However, the poor cycle stability hinders the further development of this battery system. In order to improve the stability of Li–S batteries, the diffusion of polysulfides from electrodes into electrolyte should be suppressed. Herein, we utilize a positively charged polyelectrolyte to functionalize the electrode materials with the aim to hamper the polysulfides dissolution via electrostatic interaction between strong positively charged polyelectrolyte and negatively charged polysulfides anion. The effect of the functionalization quantity of poly(diallyl dimethylammonium) chloride (PDDA) and functionalization sequence on cycling performances is investigated in detail. It is found that the sulfur–graphene composite (SG) directly functionalized with 10 times PDDA exhibited best cycling stability. At a discharge current density of 0.2 C, much higher capacity retention was realized on the functionalized electrodes than the unfunctionalized (81% vs. 47.3%) after 120 cycles. The as-observed results demonstrate that the electrostatic interaction can effectively prolong the cycling life of Li–S batteries, which provides a new promising strategy for improving the electrochemical performance of Li–S batteries.

Membrane Protein Properties Revealed through Data-Rich Electrostatics Calculations.

Science.gov (United States)

Marcoline, Frank V; Bethel, Neville; Guerriero, Christopher J; Brodsky, Jeffrey L; Grabe, Michael

2015-08-04

The electrostatic properties of membrane proteins often reveal many of their key biophysical characteristics, such as ion channel selectivity and the stability of charged membrane-spanning segments. The Poisson-Boltzmann (PB) equation is the gold standard for calculating protein electrostatics, and the software APBSmem enables the solution of the PB equation in the presence of a membrane. Here, we describe significant advances to APBSmem, including full automation of system setup, per-residue energy decomposition, incorporation of PDB2PQR, calculation of membrane-induced pKa shifts, calculation of non-polar energies, and command-line scripting for large-scale calculations. We highlight these new features with calculations carried out on a number of membrane proteins, including the recently solved structure of the ion channel TRPV1 and a large survey of 1,614 membrane proteins of known structure. This survey provides a comprehensive list of residues with large electrostatic penalties for being embedded in the membrane, potentially revealing interesting functional information. Copyright © 2015 Elsevier Ltd. All rights reserved.

On the Relativistic Correction of Particles Trajectory in Tandem Type Electrostatic Accelerator

OpenAIRE

Minárik Stanislav

2015-01-01

A constant potential is applied to the acceleration of the ion-beam in the tandem type electrostatic accelerator. However, not just one voltage is applied, but instead a number of applications can be made in succession by means of the tandem arrangement of high voltage tubes. This number of voltage applications, which is the number of so-called "stages" of a tandem accelerator, may be two, three, or four, depending on the chosen design. Electrostatic field with approximately constant intensit...

Electrostatic fluctuations in soap films

International Nuclear Information System (INIS)

Dean, D.S.; Horgan, R.R.

2002-01-01

A field theory to describe electrostatic interactions in soap films, described by electric multilayers with a generalized thermodynamic surface-charging mechanism, is studied. In the limit where the electrostatic interactions are weak, this theory is exactly soluble. The theory incorporates in a consistent way, the surface-charging mechanism and the fluctuations in the electrostatic field that correspond to the zero-frequency component of the van der Waals force. It is shown that these terms lead to a Casimir-like attraction that can be sufficiently large to explain the transition between the common black film to a Newton black film

Electrostatic correlations: from plasma to biology

International Nuclear Information System (INIS)

Levin, Yan

2002-01-01

Electrostatic correlations play an important role in physics, chemistry and biology. In plasmas they result in thermodynamic instability similar to the liquid-gas phase transition of simple molecular fluids. For charged colloidal suspensions the electrostatic correlations are responsible for screening and colloidal charge renormalization. In aqueous solutions containing multivalent counterions they can lead to charge inversion and flocculation. In biological systems the correlations account for the organization of cytoskeleton and the compaction of genetic material. In spite of their ubiquity, the true importance of electrostatic correlations has come to be fully appreciated only quite recently. In this paper, we will review the thermodynamic consequences of electrostatic correlations in a variety of systems ranging from classical plasmas to molecular biology

Electrostatic Fluxes and Plasma Rotation in the Edge Region of EXTRAP-T2R

Science.gov (United States)

Serianni, G.; Antoni, V.; Bergsåker, H.; Brunsell, P.; Drake, J. R.; Spolaore, M.; Sätherblom, H. E.; Vianello, N.

2001-10-01

The EXTRAP-T2 reversed field pinch has undergone a significant reconstruction into the new T2R device. This paper reports the first measurements performed with Langmuir probes in the edge region of EXTRAP-T2R. The radial profiles of plasma parameters like electron density and temperature, plasma potential, electrical fields and electrostatic turbulence-driven particle flux are presented. These profiles are interpreted in a momentum balance model where finite Larmor radius losses occur over a distance of about two Larmor radii from the limiter position. The double shear layer of the E×B drift velocity is discussed in terms of the Biglari-Diamond-Terry theory of turbulence decorrelation.

Small electrostatic storage rings; also for highly charged ions?

International Nuclear Information System (INIS)

Moeller, S.P.; Pedersen, U.V.

2001-01-01

Two years ago, a small electrostatic storage ring ELISA (electrostatic ion storage ring, Aarhus) was put into operation. The design of this small 7 m circumference ring was based on electrostatic deflection plates and quadrupoles. This is in contrast to the larger ion storage rings, which are based on magnetic focusing and deflection. The result is a small, relatively inexpensive, storage ring being able to store ions of any mass and any charge at low energy ( -11 mbar resulting in storage times of several tens of seconds for singly charged ions. The maximum number of singly charged ions that can be stored is a few 10 7 . Several experiments have already been performed in ELISA. These include lifetime studies of metastable ions and studies of fullerenes and metal-cluster ions. Lasers are also used for excitation of the circulating ions. Heating/cooling of the ring is possible. Cooling of the ring leads to significantly lower pressures, and correspondingly longer lifetimes. A change of the temperature of the vacuum chambers surrounding the ion beam also leads to a change of the spectrum of the black-body radiation, which has a significant influence on weakly bound negative ions. At the time of writing, at least two other electrostatic storage rings are being built, and more are planned. In the following, the electrostatic storage ring ELISA will be described, and results from some of the initial experiments demonstrating the performance will be shown. The relative merits of such a ring, as opposed to the larger magnetic rings and the smaller ion traps will be discussed. The potential for highly charged ions will be briefly mentioned. (orig.)

Electrostatics in the Surroundings of a Topologically Charged Black Hole in the Brane

Directory of Open Access Journals (Sweden)

Alexis Larrañaga

2014-01-01

Full Text Available We determine the expression for the electrostatic potential generated by a point charge held stationary in the topologically charged black hole spacetime arising from the Randall-Sundrum II braneworld model. We treat the static electric point charge as a linear perturbation on the black hole background and an expression for the electrostatic multipole solution is given: PACS: 04.70.-s, 04.50.Gh, 11.25.-w, 41.20.-q, 41.90.+e.

Destructive role of hot ions in the formation of electrostatic density humps and dips in dusty plasmas

International Nuclear Information System (INIS)

Mahmood, S.; Saleem, H.

2003-01-01

It is shown that the ion thermal energy is destructive for the ion acoustic solitons in the presence of dust, and it decreases the value of Mach number for the formation of solitary structures. The regions of ion density humps and dips are produced simultaneously, corresponding to positive and negative values of the electrostatic potential. The nonlinear electron density also behaves in a similar fashion as that of ions. However, the dust density increases in the regions where the ion and electron densities are depleted and vice versa

Research on electrostatic electrification during jet kerosene spraying

International Nuclear Information System (INIS)

Liu, Quanzhen; Li, Yipeng; Zhang, Wentian; Sun, Keping

2013-01-01

Multiple electrostatic electrifications during aircraft fuelling process may cause a fire disaster or explosion, so study on the protection measure for electrostatic electrification is very important for the security of aircraft fuelling. This paper investigated the electrostatic voltage and charge of the fuel nozzle and metal parts during the fuel spraying by self-designed jet kerosene spraying electrostatic electrification test system. The experimental results indicate that the voltage on the fuel nozzle and metal parts is very dangerous for electrostatic safety if they are not reliably grounded.

Charging and absorption characteristics of small particulates under alternative and electrostatic voltages in an electrostatic precipitator

International Nuclear Information System (INIS)

Jiang Xue-Dong; Xu He; Wang Xin

2014-01-01

The charge quantity of small particulates such as PM2.5 plays a key role in the collection efficiency of an electrostatic precipitator (ESP). Under a single electrostatic voltage, it is difficult to charge and absorb small particulates. A new method of superimposing an alternative voltage on the electrostatic voltage is provided in this paper. Characteristics of small particulates are analyzed under alternative and electrostatic voltages. It is demonstrated that an alternative voltage can significantly improve the collection efficiency in three aspects: preventing anti-corona, increasing the charge quantity of small particulates, and increasing the median particulate size by electric agglomeration. In addition, practical usage with the superposition of alternative voltage is provided, and the results are in agreement with the theoretical analysis. (physics of gases, plasmas, and electric discharges)

Electrostatics in pharmaceutical aerosols for inhalation.

Science.gov (United States)

Wong, Jennifer; Chan, Hak-Kim; Kwok, Philip Chi Lip

2013-08-01

Electrostatics continues to play an important role in pharmaceutical aerosols for inhalation. Despite its ubiquitous nature, the charging process is complex and not well understood. Nonetheless, significant advances in the past few years continue to improve understanding and lead to better control of electrostatics. The purpose of this critical review is to present an overview of the literature, with an emphasis on how electrostatic charge can be useful in improving pulmonary drug delivery.

Electrostatically atomised hydrocarbon sprays

Energy Technology Data Exchange (ETDEWEB)

Yule, A.J.; Shrimpton, J.S.; Watkins, A.P.; Balachandran, W.; Hu, D. [UMIST, Manchester (United Kingdom). Thermofluids Division, Dept. of Mechanical Engineering

1995-07-01

A burner using an electrostatic method to produce and control a fuel spray is investigated for non-burning sprays. The burner has a charge injection nozzle and the liquid flow rate and charge injection rate are varied using hydrocarbon liquids of differing viscosities, surface tensions and electrical conductivities (kerosene, white spirit and diesel oil). Droplet size distributions are measured and it is shown how the dropsize, spray pattern, breakup mechanism and breakup length depend on the above variables, and in particular on the specific charge achieved in the spray. The data are valuable for validating two computer models under development. One predicts the electric field and flow field inside the nozzle as a function of emitter potential, geometry and flow rate. The other predicts the effect of charge on spray dispersion, with a view to optimizing spray combustion. It is shown that electrostatic disruptive forces can be used to atomize oils at flow rates commensurate with practical combustion systems and that the charge injection technique is particularly suitable for highly resistive liquids. Possible limitations requiring further research include the need to control the wide spray angle, which may provide fuel-air mixtures too lean near the nozzle, and the need to design for maximum charge injection rate, which is thought to be limited by corona breakdown in the gas near the nozzle orifice. 30 refs., 15 figs., 1 tab.

Electrostatic effect for the collisionless tearing mode

International Nuclear Information System (INIS)

Hoshino, M.

1987-01-01

Electron dynamics has not been self-consistently considered in collisionless tearing mode theories to date because of the mathematical complexity of the Vlasov-Maxwell equations. We have found using computer simulations that electrostatic fields play an important role in the tearing mode. Vlasov theory, including the electrostatic field, is investigated for topologies with both antiparallel and nonantiparallel magnetic field lines. The electrostatic field influences the resonant current in the neutral sheet which is a non-MHD effect, and modifies the linear growth rate. At the magnetopause, where the field lines are not antiparallel, the electrostatic effect acts to raise the linear growth rate of the tearing mode. On the other hand, in the magnetotail, where magnetic field lines are antiparallel, the electrostatic effect reduces the tearing mode growth rate. copyright American Geophysical Union 1987

A self-consistent transport model for molecular conduction based on extended Huckel theory with full three-dimensional electrostatics

DEFF Research Database (Denmark)

Zahid, F.; Paulsson, Magnus; Polizzi, E.

2005-01-01

overlap) method and the electrostatic effects of metallic leads (bias and image charges) are included through a three-dimensional finite element method. This allows us to capture spatial details of the electrostatic potential profile, including effects of charging, screening, and complicated electrode...

A new venous infusion path monitoring system utilizing electrostatic induced potential.

Science.gov (United States)

Ogawa, Hidekuni; Yonezawa, Yoshiharu; Maki, Hiromichi; Caldwell, W Morton

2008-01-01

A new venous infusion pathway monitoring system has been developed for hospital and home use. The system consists of linear and digital integrated circuits and a low-power 8-bit single chip microcomputer which constantly monitors the infusion pathway intactness. A 330 kHz AC voltage, which is induced on the patient's body by electrostatic coupling from a 330 kHz pulse oscillator, can be recorded by main and reference electrodes wrapped around the infusion polyvinyl chloride tube. If the injection needle or infusion tube becomes detached, then the system detects changes in the induced AC voltages and alerts the nursing station, via the nurse call system or PHS (personal handy phone system).

Determination of the electrostatic potential distribution in Pt/Fe:SrTiO₃/Nb:SrTiO₃ thin-film structures by electron holography.

Science.gov (United States)

Marchewka, Astrid; Cooper, David; Lenser, Christian; Menzel, Stephan; Du, Hongchu; Dittmann, Regina; Dunin-Borkowski, Rafal E; Waser, Rainer

2014-11-10

We determined the electrostatic potential distribution in pristine Pt/Fe:SrTiO3/Nb:SrTiO3 structures by electron holography experiments, revealing the existence of a depletion layer extending into the Nb-doped bottom electrode. Simulations of potential profiles in metal-insulator-metal structures were conducted assuming different types and distributions of dopants. It is found that the presence of acceptor-type dopant concentrations at the Fe:SrTiO3/Nb:SrTiO3 interface with a donor-doped insulating layer provides a good match to the measured profile. Such acceptor-type interface concentrations may be associated with Sr vacancies on the Nb:SrTiO3 side of the bottom interface.

The electrostatic cylindrical sheath in a plasma

International Nuclear Information System (INIS)

Wang Chunhua; Sun Xiaoxia; Bai Dongxue

2004-01-01

The electrostatic sheath with a cylindrical geometry in an ion-electron plasma is investigated. Assuming a Boltzmann response to electrons and cold ions with bulk flow, it is shown that the radius of the cylindrical geometry do not affect the sheath potential significantly. The authors also found that the sheath potential profile is steeper in the cylindrical sheath compared to the slab sheath. The distinct feature of the cylindrical sheath is that the ion density distribution is not monotonous. The sheath region can be divided into three regions, two ascendant regions and one descendant region. (author)

Electrostatic curtain studies

International Nuclear Information System (INIS)

Meyer, L.C.

1992-05-01

This report presents the results of experiments using electrostatic curtains (ESCS) as a transuranic (TRU) contamination control technique. The TRU contaminants included small (micrometer to sub micrometer) particles of plutonium and americium compounds associated with defense-related waste. Three series of experiments were conducted. The first was with uncontaminated Idaho National Engineering Laboratory (INEL) soil, the second used contaminated soil containing plutonium-239 (from a mixture of Rocky Flats Plant contaminated soil and INEL uncontaminated soil), and the third was uncontaminated INEL soil spiked with plutonium-239. All experiments with contaminated soil were conducted inside a glove box containing a dust generator, low volume cascade impactor (LVCI), electrostatic separator, and electrostatic materials. The data for these experiments consisted of the mass of dust collected on the various material coupons, plates, and filters; radiochemical analysis of selected samples; and photographs, as well as computer printouts giving particle size distributions and dimensions from the scanning electron microscope (SEM). The following results were found: (a) plutonium content (pCi/g) was found to increase with smaller soil particle sizes and (b) the electrostatic field had a stronger influence on smaller particle sizes compared to larger particle sizes. The SEM analysis indicated that the particle size of the tracer Pu239 used in the spiked soil experiments was below the detectable size limit (0.5 μm) of the SEM and, thus, may not be representative of plutonium particles found in defense-related waste. The use of radiochemical analysis indicated that plutonium could be found on separator plates of both polarities, as well as passing through the electric field and collecting on LVCI filters

Electrostatic Levitator Electrode Layout

Science.gov (United States)

1998-01-01

Schematic of Electrostatic Levitator (ESL) electrodes and controls system. The ESL uses static electricity to suspend an object (about 2-3 mm in diameter) inside a vacuum chamber while a laser heats the sample until it melts. This lets scientists record a wide range of physical properties without the sample contacting the container or any instruments, conditions that would alter the readings. The Electrostatic Levitator is one of several tools used in NASA's microgravity materials science program.

On the Relativistic Correction of Particles Trajectory in Tandem Type Electrostatic Accelerator

Directory of Open Access Journals (Sweden)

Minárik Stanislav

2015-08-01

Full Text Available A constant potential is applied to the acceleration of the ion-beam in the tandem type electrostatic accelerator. However, not just one voltage is applied, but instead a number of applications can be made in succession by means of the tandem arrangement of high voltage tubes. This number of voltage applications, which is the number of so-called "stages" of a tandem accelerator, may be two, three, or four, depending on the chosen design. Electrostatic field with approximately constant intensity acts on ions in any stage.

Continuous electrodeionization through electrostatic shielding

International Nuclear Information System (INIS)

Dermentzis, Konstantinos

2008-01-01

We report a new continuous electrodeionization cell with electrostatically shielded concentrate compartments or electrochemical Faraday cages formed by porous electronically and ionically conductive media, instead of permselective ion exchange membranes. Due to local elimination of the applied electric field within the compartments, they electrostatically retain the incoming ions and act as 'electrostatic ion pumps' or 'ion traps' and therefore concentrate compartments. The porous media are chemically and thermally stable. Electrodeionization or electrodialysis cells containing such concentrate compartments in place of ion exchange membranes can be used to regenerate ion exchange resins and produce deionized water, to purify industrial effluents and desalinate brackish or seawater. The cells can work by polarity reversal without any negative impact to the deionization process. Because the electronically and ionically active media constituting the electrostatically shielded concentrate compartments are not permselective and coions are not repelled but can be swept by the migrating counterions, the cells are not affected by the known membrane associated limitations, such as concentration polarization or scaling and show an increased current efficiency

Surface electrostatics: theory and computations

KAUST Repository

Chatzigeorgiou, G.

2014-02-05

The objective of this work is to study the electrostatic response of materials accounting for boundary surfaces with their own (electrostatic) constitutive behaviour. The electric response of materials with (electrostatic) energetic boundary surfaces (surfaces that possess material properties and constitutive structures different from those of the bulk) is formulated in a consistent manner using a variational framework. The forces and moments that appear due to bulk and surface electric fields are also expressed in a consistent manner. The theory is accompanied by numerical examples on porous materials using the finite-element method, where the influence of the surface electric permittivity on the electric displacement, the polarization stress and the Maxwell stress is examined.

Introduction to numerical electrostatics using MATLAB

CERN Document Server

Dworsky, Lawrence N

2014-01-01

The first of its kind uniquely devoted to the field of computational electrostatics, this book dives headfirst into the actual problems that engineers are expected to solve using method of moment (MoM), finite difference, and finite element techniques. Readers are guided step by step through specific problems and challenges, covering all aspects of electrostatics with an emphasis on numerical procedures. Focusing on practical examples, mathematical equations, and common issues with algorithms, this is an ideal text for students in engineering, physics, and electrostatics-and working engineers

Specific Electrostatic Molecular Recognition in Water

DEFF Research Database (Denmark)

Li, Ming; Hoeck, Casper; Schoffelen, Sanne

2016-01-01

The identification of pairs of small peptides that recognize each other in water exclusively through electrostatic interactions is reported. The target peptide and a structure-biased combinatorial ligand library consisting of ≈78 125 compounds were synthesized on different sized beads. Peptide......-bead binding assay and by 2D NMR spectroscopy. Molecular dynamics (MD) studies revealed a putative mode of interaction for this unusual electrostatic binding event. High binding specificity occurred through a combination of topological matching and electrostatic and hydrogen-bond complementarities. From MD...

Design of a device for simultaneous particle size and electrostatic charge measurement of inhalation drugs.

Science.gov (United States)

Zhu, Kewu; Ng, Wai Kiong; Shen, Shoucang; Tan, Reginald B H; Heng, Paul W S

2008-11-01

To develop a device for simultaneous measurement of particle aerodynamic diameter and electrostatic charge of inhalation aerosols. An integrated system consisting of an add-on charge measurement device and a liquid impinger was developed to simultaneously determine particle aerodynamic diameter and electrostatic charge. The accuracy in charge measurement and fine particle fraction characterization of the new system was evaluated. The integrated system was then applied to analyze the electrostatic charges of a DPI formulation composed of salbutamol sulphate-Inhalac 230 dispersed using a Rotahaler. The charge measurement accuracy was comparable with the Faraday cage method, and incorporation of the charge measurement module had no effect on the performance of the liquid impinger. Salbutamol sulphate carried negative charges while the net charge of Inhalac 230 and un-dispersed salbutamol sulphate was found to be positive after being aerosolized from the inhaler. The instantaneous current signal was strong with small noise to signal ratio, and good reproducibility of charge to mass ratio was obtained for the DPI system investigated. A system for simultaneously measuring particle aerodynamic diameter and aerosol electrostatic charges has been developed, and the system provides a non-intrusive and reliable electrostatic charge characterization method for inhalation dosage forms.

Application of electrostatic prevention technology on polyethylene silos

International Nuclear Information System (INIS)

Gong, Hong; Liu, Quanzhen; Tan, Fenggui; Zhang, Yunpeng

2013-01-01

The main reasons of static electric explosion accidents in polyolefin plant silos were analyzed in this paper, and the study finds that the reasons include control failure of flammable gas content in the feed, high electrification caused by the wind supply, and frequent electrostatic discharge in silos. The electrostatic-reducing technologies of polyolefin powder were introduced, and its application performance in polyolefin plant silos was also clarified. In addition, the methods including FDCS and DGES for evaluation of electrostatic explosion in polyolefin plant silo were proposed. In the end, the risk of electrostatic explosion in PE plant blended silo was evaluated before and after application of electrostatic reducing technology.

Electrostatic Analysis of Annular Holes Penetrated by Shorted-Cable

Energy Technology Data Exchange (ETDEWEB)

Choo, Jae Yul; Kim, Hyung Tae; Park, Hyun Shin; Cho, Young Sik [KINS, Daejeon (Korea, Republic of)

2016-05-15

The cabinet has an important role to protect the contained cables and digital modules for the safety function from the external electromagnetic (EM) source. Thus the immunity of an open cabinet against electromagnetic interference (EMI) numerically has been investigated using mode-matching method in. Another path for the external EM source to impinge on inner cables and digital modules is the bottom hole of the cabinet that is penetrated by various cables. Especially the EMI can detrimentally influence on the digital modules through annular space caused by sealing the bottom hole of the cabinet incompletely. Thus it is recently required that the electromagnetic interpretation in the annular hole is performed to remedy electromagnetic problems. Based on the mode-matching method, we solved the electrostatic boundary-value problem for holes penetrating shorted-cable at the bottom of a digital I and C cabinet. The Weber transform and the Hankel transform were applied to formulate the electrostatic potential. The capacitance and potential distribution generated near the penetrating shorted-cable were computed and compared with the result from the previous study.

Electrostatic fluxes and plasma rotation in the edge region of EXTRAP-T2R

International Nuclear Information System (INIS)

Serianni, G.; Antoni, V.; Bergsaaker, H.; Brunsell, P.; Drake, J.R.; Spolaore, M.; Saetherblom, H.E.; Vianello, N.

2001-01-01

The EXTRAP-T2 reversed field pinch has undergone a significant reconstruction into the new T2R device. This paper reports the first measurements performed with Langmuir probes in the edge region of EXTRAP-T2R. The radial profiles of plasma parameters like electron density and temperature, plasma potential, electrical fields and electrostatic turbulence-driven particle flux are presented. These profiles are interpreted in a momentum balance model where finite Larmor radius losses occur over a distance of about two Larmor radii from the limiter position. The double shear layer of the ExB drift velocity is discussed in terms of the Biglari-Diamond-Terry theory of turbulence decorrelation. (author)

Understanding and Manipulating Electrostatic Fields at the Protein-Protein Interface Using Vibrational Spectroscopy and Continuum Electrostatics Calculations.

Science.gov (United States)

Ritchie, Andrew W; Webb, Lauren J

2015-11-05

Biological function emerges in large part from the interactions of biomacromolecules in the complex and dynamic environment of the living cell. For this reason, macromolecular interactions in biological systems are now a major focus of interest throughout the biochemical and biophysical communities. The affinity and specificity of macromolecular interactions are the result of both structural and electrostatic factors. Significant advances have been made in characterizing structural features of stable protein-protein interfaces through the techniques of modern structural biology, but much less is understood about how electrostatic factors promote and stabilize specific functional macromolecular interactions over all possible choices presented to a given molecule in a crowded environment. In this Feature Article, we describe how vibrational Stark effect (VSE) spectroscopy is being applied to measure electrostatic fields at protein-protein interfaces, focusing on measurements of guanosine triphosphate (GTP)-binding proteins of the Ras superfamily binding with structurally related but functionally distinct downstream effector proteins. In VSE spectroscopy, spectral shifts of a probe oscillator's energy are related directly to that probe's local electrostatic environment. By performing this experiment repeatedly throughout a protein-protein interface, an experimental map of measured electrostatic fields generated at that interface is determined. These data can be used to rationalize selective binding of similarly structured proteins in both in vitro and in vivo environments. Furthermore, these data can be used to compare to computational predictions of electrostatic fields to explore the level of simulation detail that is necessary to accurately predict our experimental findings.

Continuous development of schemes for parallel computing of the electrostatics in biological systems: implementation in DelPhi.

Science.gov (United States)

Li, Chuan; Petukh, Marharyta; Li, Lin; Alexov, Emil

2013-08-15

Due to the enormous importance of electrostatics in molecular biology, calculating the electrostatic potential and corresponding energies has become a standard computational approach for the study of biomolecules and nano-objects immersed in water and salt phase or other media. However, the electrostatics of large macromolecules and macromolecular complexes, including nano-objects, may not be obtainable via explicit methods and even the standard continuum electrostatics methods may not be applicable due to high computational time and memory requirements. Here, we report further development of the parallelization scheme reported in our previous work (Li, et al., J. Comput. Chem. 2012, 33, 1960) to include parallelization of the molecular surface and energy calculations components of the algorithm. The parallelization scheme utilizes different approaches such as space domain parallelization, algorithmic parallelization, multithreading, and task scheduling, depending on the quantity being calculated. This allows for efficient use of the computing resources of the corresponding computer cluster. The parallelization scheme is implemented in the popular software DelPhi and results in speedup of several folds. As a demonstration of the efficiency and capability of this methodology, the electrostatic potential, and electric field distributions are calculated for the bovine mitochondrial supercomplex illustrating their complex topology, which cannot be obtained by modeling the supercomplex components alone. Copyright © 2013 Wiley Periodicals, Inc.

Asymptotic value of screening parameter as determined from the one-electron fragment of the kinetic energy or electrostatic potential at the nucleus

Energy Technology Data Exchange (ETDEWEB)

Teruya, Hirohide; Anno, Tosinobu

1985-09-01

Numerical value of lim sub(Z ..-->.. infinity) delta(i, j)/delta Zsub(i), where (i, j) stands for average interaction energy of a pair of electrons embedded in hydrogenic orbitals (HAO's) is presented for a wide range of HAO's. Data to be presented should be useful to calculate the asymptotic limit of screening effect seen by an electron embedded in a given kind of orbital for an isoelectronic series of atoms as determined from the ''one-electron component'' of the total kinetic energy of or of the electrostatic potential at the nucleus within an atom.

Spectroscopic and DFT Studies of Second Sphere Variants of the Type 1 Copper Site in Azurin: Covalent and Non-Local Electrostatic Contributions to Reduction Potentials

Science.gov (United States)

Hadt, Ryan G.; Sun, Ning; Marshall, Nicholas M.; Hodgson, Keith O.; Hedman, Britt; Lu, Yi; Solomon, Edward I.

2012-01-01

The reduction potentials (E0) of type 1 (T1) or blue copper (BC) sites in proteins and enzymes with identical first coordination spheres around the redox active copper ion can vary by ~400 mV. Here, we use a combination of low temperature electronic absorption and magnetic circular dichroism, electron paramagnetic resonance, resonance Raman, and S K-edge X-ray absorption spectroscopies to investigate a series of second sphere variants—F114P, N47S, and F114N in Pseudomonas aeruginosa azurin (Az)—which modulate hydrogen bonding to and protein derived dipoles nearby the Cu-S(Cys) bond. Density functional theory (DFT) calculations correlated to the experimental data allow for the fractionation of the contributions to tuning E0 into covalent and non-local electrostatic components. These are found to be significant, comparable in magnitude, and additive for active H-bonds, while passive H-bonds are mostly non-local electrostatic in nature. For dipoles, these terms can be additive to or oppose one another. This study provides a methodology for uncoupling covalency from non-local electrostatics, which, when coupled to X-ray crystallographic data, distinguishes specific local interactions from more long range protein/active interactions, while affording further insight into the second sphere mechanisms available to the protein to tune the E0 of electron transfer sites in biology. PMID:22985400

Electrostatic design and beam transport for a folded tandem electrostatic quadrupole accelerator facility for accelerator-based boron neutron capture therapy

International Nuclear Information System (INIS)

Thatar Vento, V.; Bergueiro, J.; Cartelli, D.; Valda, A.A.; Kreiner, A.J.

2011-01-01

Within the frame of an ongoing project to develop a folded Tandem-Electrostatic-Quadrupole (TESQ) accelerator facility for Accelerator-Based Boron Neutron Capture Therapy (AB-BNCT), we discuss here the electrostatic design of the machine, including the accelerator tubes with electrostatic quadrupoles and the simulations for the transport and acceleration of a high intensity beam.

Structural phase transition in monolayer MoTe2 driven by electrostatic doping

Science.gov (United States)

Wang, Ying; Xiao, Jun; Zhu, Hanyu; Li, Yao; Alsaid, Yousif; Fong, King Yan; Zhou, Yao; Wang, Siqi; Shi, Wu; Wang, Yuan; Zettl, Alex; Reed, Evan J.; Zhang, Xiang

2017-10-01

Monolayers of transition-metal dichalcogenides (TMDs) exhibit numerous crystal phases with distinct structures, symmetries and physical properties. Exploring the physics of transitions between these different structural phases in two dimensions may provide a means of switching material properties, with implications for potential applications. Structural phase transitions in TMDs have so far been induced by thermal or chemical means; purely electrostatic control over crystal phases through electrostatic doping was recently proposed as a theoretical possibility, but has not yet been realized. Here we report the experimental demonstration of an electrostatic-doping-driven phase transition between the hexagonal and monoclinic phases of monolayer molybdenum ditelluride (MoTe2). We find that the phase transition shows a hysteretic loop in Raman spectra, and can be reversed by increasing or decreasing the gate voltage. We also combine second-harmonic generation spectroscopy with polarization-resolved Raman spectroscopy to show that the induced monoclinic phase preserves the crystal orientation of the original hexagonal phase. Moreover, this structural phase transition occurs simultaneously across the whole sample. This electrostatic-doping control of structural phase transition opens up new possibilities for developing phase-change devices based on atomically thin membranes.

Cantilever contribution to the total electrostatic force measured with the atomic force microscope

International Nuclear Information System (INIS)

Guriyanova, Svetlana; Golovko, Dmytro S; Bonaccurso, Elmar

2010-01-01

The atomic force microscope (AFM) is a powerful tool for surface imaging at the nanometer scale and surface force measurements in the piconewton range. Among long-range surface forces, the electrostatic forces play a predominant role. They originate if the electric potentials of the substrate and of the tip of the AFM cantilever are different. A quantitative interpretation of the AFM signal is often difficult because it depends in a complicated fashion on the cantilever–tip–surface geometry. Since the electrostatic interaction is a long-range interaction, the cantilever, which is many microns from the surface, contributes to the total electrostatic force along with the tip. Here we present results of the electrostatic interaction between a conducting flat surface and horizontal or tilted cantilevers, with and without tips, at various distances from the surface. As addressed in a previous work, we show that the contribution of the cantilever to the overall force cannot be neglected. Based on a predictive model and on 3D confocal measurements, we discuss the influence of the tilting angle of the cantilever

Optical and electrostatic potential investigations of electrical breakdown phenomena in a low-pressure gas discharge lamp

International Nuclear Information System (INIS)

Gendre, M F; Haverlag, M; Kroesen, G M W

2010-01-01

The ignition phase is a critical stage in the operation of gas discharge lamps where the neutral gas enclosed between the electrodes undergoes a transformation from the dielectric state to a conducting phase, eventually enabling the production of light. The phenomena occurring during this phase transition are not fully understood and the related experimental studies are often limited to local optical measurements in environments prone to influencing these transient phenomena. In this work unipolar ignition phenomena at sub-kilovolt levels are investigated in a 3 Torr argon discharge tube. The lamp is placed in a highly controlled environment so as to prevent any bias on the measurements. A fast intensified CCD camera and a specially designed novel electrostatic probe are used simultaneously so as to provide a broad array of measured and computed parameters which are displayed in space-time diagrams for cross comparisons. Experiments show that three distinct phases exist during successful ignitions: upon the application of voltage a first ionization wave starts from the active electrode and propagates in the neutral gas towards the opposite electrode. A local front of high axial E field strength is associated with this process and causes a local ionization to occur, leading to the electrostatic charging of the lamp. Next, a second wave propagates from the ground electrode back towards the active electrode with a higher velocity, and in this process leads to a partial discharging of the lamp. This return stroke draws a homogeneous plasma column which eventually bridges both electrodes at the end of the wave propagation. At this point both electrode sheaths are formed and the common features of a glow discharge are observed. The third phase is an increase in the light intensity of the plasma column until the lamp reaches a steady-state operation. Failed ignitions present only the first phase where the first wave starts its propagation but extinguishes in the lamp

The establishment and application of direct coupled electrostatic-structural field model in electrostatically controlled deployable membrane antenna

Science.gov (United States)

Gu, Yongzhen; Duan, Baoyan; Du, Jingli

2018-05-01

The electrostatically controlled deployable membrane antenna (ECDMA) is a promising space structure due to its low weight, large aperture and high precision characteristics. However, it is an extreme challenge to describe the coupled field between electrostatic and membrane structure accurately. A direct coupled method is applied to solve the coupled problem in this paper. Firstly, the membrane structure and electrostatic field are uniformly described by energy, considering the coupled problem is an energy conservation phenomenon. Then the direct coupled electrostatic-structural field governing equilibrium equations are obtained by energy variation approach. Numerical results show that the direct coupled method improves the computing efficiency by 36% compared with the traditional indirect coupled method with the same level accuracy. Finally, the prototype has been manufactured and tested and the ECDMA finite element simulations show good agreement with the experiment results as the maximum surface error difference is 6%.

Interdomain electron transfer in cellobiose dehydrogenase is governed by surface electrostatics.

Science.gov (United States)

Kadek, Alan; Kavan, Daniel; Marcoux, Julien; Stojko, Johann; Felice, Alfons K G; Cianférani, Sarah; Ludwig, Roland; Halada, Petr; Man, Petr

2017-02-01

Cellobiose dehydrogenase (CDH) is a fungal extracellular oxidoreductase which fuels lytic polysaccharide monooxygenase with electrons during cellulose degradation. Interdomain electron transfer between the flavin and cytochrome domain in CDH, preceding the electron flow to lytic polysaccharide monooxygenase, is known to be pH dependent, but the exact mechanism of this regulation has not been experimentally proven so far. To investigate the structural aspects underlying the domain interaction in CDH, hydrogen/deuterium exchange (HDX-MS) with improved proteolytic setup (combination of nepenthesin-1 with rhizopuspepsin), native mass spectrometry with ion mobility and electrostatics calculations were used. HDX-MS revealed pH-dependent changes in solvent accessibility and hydrogen bonding at the interdomain interface. Electrostatics calculations identified these differences to result from charge neutralization by protonation and together with ion mobility pointed at higher electrostatic repulsion between CDH domains at neutral pH. In addition, we uncovered extensive O-glycosylation in the linker region and identified the long-unknown exact cleavage point in papain-mediated domain separation. Transition of CDH between its inactive (open) and interdomain electron transfer-capable (closed) state is shown to be governed by changes in the protein surface electrostatics at the domain interface. Our study confirms that the interdomain electrostatic repulsion is the key factor modulating the functioning of CDH. The results presented in this paper provide experimental evidence for the role of charge repulsion in the interdomain electron transfer in cellobiose dehydrogenases, which is relevant for exploiting their biotechnological potential in biosensors and biofuel cells. Copyright © 2016 Elsevier B.V. All rights reserved.

Correcting PSP electron measurements for the effects of spacecraft electrostatic and magnetic fields

Science.gov (United States)

McGinnis, D.; Halekas, J. S.; Larson, D. E.; Whittlesey, P. L.; Kasper, J. C.

2017-12-01

The near-Sun environment which the Parker Solar Probe will investigate presents a unique challenge for the measurement of thermal and suprathermal electrons. Over one orbital period, the ionizing photon flux and charged particle densities vary to such an extent that the spacecraft could charge to electrostatic potentials ranging from a few volts to tens of volts or more, and it may even develop negative electrostatic potentials near closest approach. In addition, significant permanent magnetic fields from spacecraft components will perturb thermal electron trajectories. Given these effects, electron distribution function (EDF) measurements made by the SWEAP/SPAN electron sensors will be significantly affected. It is thus important to try to understand the extent and nature of such effects, and to remediate them as much as possible. To this end, we have incorporated magnetic fields and a model electrostatic potential field into particle tracing simulations to predict particle trajectories through the near spacecraft environment. These simulations allow us to estimate how the solid angle elements measured by SPAN deflect and stretch in the presence of these fields and therefore how and to what extent EDF measurements will be distorted. In this work, we demonstrate how this technique can be used to produce a `dewarping' correction factor. Further, we show that this factor can correct synthetic datasets simulating the warped EDFs that the SPAN instruments are likely to measure over a wide range of spacecraft potentials and plasma Debye lengths.

Electrostatic chuck consisting of polymeric electrostatic inductive fibers for handling of objects with rough surfaces

International Nuclear Information System (INIS)

Dhelika, Radon; Sawai, Kenji; Saito, Shigeki; Takahashi, Kunio; Takarada, Wataru; Kikutani, Takeshi

2013-01-01

An electrostatic chuck (ESC) is a type of reversible dry adhesive which clamps objects by means of electrostatic force. Currently an ESC is used only for objects having flat surfaces because the attractive force is reduced for rough surfaces. An ESC that can handle objects with rough surfaces will expand its applications to MEMS (micro electro mechanical system) or optical parts handling. An ESC consisting of compliant electrostatic inductive fibers which conform to the profile of the surface has been proposed for such use. This paper aims at furthering previous research by observing the attractive force/pressure generated, both theoretically and experimentally, through step-by-step fabrication and analysis. Additionally, how the proposed fiber ESC behaves toward rough surfaces is also observed. The attractive force/pressure of the fiber ESC is theoretically investigated using a robust mechano-electrostatic model. Subsequently, a prototype of the fiber ESC consisting of ten fibers arranged at an angle is employed to experimentally observe its attractive force/pressure for objects with rough surfaces. The attractive force of the surface which is modeled as a sinusoidal wave with various amplitudes is observed, through which the feasibility of a fiber ESC is justified. (paper)

Pressure dependence of electron temperature using rf-floated electrostatic probes in rf plasmas

International Nuclear Information System (INIS)

Cantin, A.; Gagne, R.R.J.

1977-01-01

A new technique, which eliminates ac between probe and plasma by means of a ''follower'', permits electrostatic probes to be used in rf plasmas with a degree of confidence and accuracy which is equal, if not better, to that for a dc discharge. Measurements in argon, using this technique, have shown that electron temperature (T/sub e/) in an rf discharge is not higher than in dc discharge. Moreover the values of T/sub e/ do not agree with von Engel's law, but are in close agreement with a theory based on free diffusion and extrapolated up to values of pR=20 Torr cm (pressure times tube radius). These results are in contradiction with published electrostatic probe results for a positive column, but agree with published results as determined by microwave radiometry and optical spectroscopy. The hypothesis is made that the supporting evidence in favor of von Engel's law, afforded by published electrostatic probe results, could be due to an artifact

Effects of electrostatic interactions on ligand dissociation kinetics

Science.gov (United States)

Erbaş, Aykut; de la Cruz, Monica Olvera; Marko, John F.

2018-02-01

We study unbinding of multivalent cationic ligands from oppositely charged polymeric binding sites sparsely grafted on a flat neutral substrate. Our molecular dynamics simulations are suggested by single-molecule studies of protein-DNA interactions. We consider univalent salt concentrations spanning roughly a 1000-fold range, together with various concentrations of excess ligands in solution. To reveal the ionic effects on unbinding kinetics of spontaneous and facilitated dissociation mechanisms, we treat electrostatic interactions both at a Debye-Hückel (DH) (or implicit ions, i.e., use of an electrostatic potential with a prescribed decay length) level and by the more precise approach of considering all ionic species explicitly in the simulations. We find that the DH approach systematically overestimates unbinding rates, relative to the calculations where all ion pairs are present explicitly in solution, although many aspects of the two types of calculation are qualitatively similar. For facilitated dissociation (FD) (acceleration of unbinding by free ligands in solution) explicit-ion simulations lead to unbinding at lower free-ligand concentrations. Our simulations predict a variety of FD regimes as a function of free-ligand and ion concentrations; a particularly interesting regime is at intermediate concentrations of ligands where nonelectrostatic binding strength controls FD. We conclude that explicit-ion electrostatic modeling is an essential component to quantitatively tackle problems in molecular ligand dissociation, including nucleic-acid-binding proteins.

Electrostatic hazards

CERN Document Server

Luttgens, Günter; Luttgens, Gnter; Luttgens, G Nter

1997-01-01

In the US, UK and Europe there is in excess of one notifiable dust or electrostatic explosion every day of the year. This clearly makes the hazards associated with the handling of materials subject to either cause or react to electrostatic discharge of vital importance to anyone associated with their handling or industrial bulk use. This book provides a comprehensive guide to the dangers of static electricity and how to avoid them. It will prove invaluable to safety managers and professionals, as well as all personnel involved in the activities concerned, in the chemical, agricultural, pharmaceutical and petrochemical process industries. The book makes extended use of case studies to illustrate the principles being expounded, thereby making it far more open, accessible and attractive to the practitioner in industry than the highly theoretical texts which are also available. The authors have many years' experience in the area behind them, including the professional teaching of the content provided here. Günte...

Modification of equivalent charge method for the Roben three-dimensional problem in electrostatics

International Nuclear Information System (INIS)

Barsukov, A.B.; Surenskij, A.V.

1989-01-01

The approach of the Roben problem solution for the calculation of the potential of intermediate electrode of accelerating structure with HFQ focusing is considered. The solution is constructed on the basis of variational formulation of the equivalent charge method, where electrostatic problem is reduced to equations of root-mean-square residuals on the system conductors. The technique presented permits to solve efficiently the three-dimensional problems of electrostatics for rather complicated from geometrical viewpoint systems of electrodes. Processing time is comparable with methods of integral equations. 5 refs.; 2 figs

Internal Electrostatic Discharge Monitor - IESDM

Science.gov (United States)

Kim, Wousik; Goebel, Dan M.; Jun, Insoo; Garrett, Henry B.

2011-01-01

A document discusses an innovation designed to effectively monitor dielectric charging in spacecraft components to measure the potential for discharge in order to prevent damage from internal electrostatic discharge (IESD). High-energy electrons penetrate the structural materials and shielding of a spacecraft and then stop inside dielectrics and keep accumulating. Those deposited charges generate an electric field. If the electric field becomes higher than the breakdown threshold (approx. =2 x 10(exp 5) V/cm), discharge occurs. This monitor measures potentials as a function of dielectric depth. Differentiation of potential with respect to the depth yields electric field. Direct measurement of the depth profile of the potential in a dielectric makes real-time electronic field evaluation possible without simulations. The IESDM has been designed to emulate a multi-layer circuit board, to insert very thin metallic layers between the dielectric layers. The conductors serve as diagnostic monitoring locations to measure the deposited electron-charge and the charge dynamics. Measurement of the time-dependent potential of the metal layers provides information on the amount of charge deposited in the dielectrics and the movement of that charge with time (dynamics).

Electrostatics with Computer-Interfaced Charge Sensors

Science.gov (United States)

Morse, Robert A.

2006-01-01

Computer interfaced electrostatic charge sensors allow both qualitative and quantitative measurements of electrostatic charge but are quite sensitive to charges accumulating on modern synthetic materials. They need to be used with care so that students can correctly interpret their measurements. This paper describes the operation of the sensors,…

Impact of local electrostatic field rearrangement on field ionization

Science.gov (United States)

Katnagallu, Shyam; Dagan, Michal; Parviainen, Stefan; Nematollahi, Ali; Grabowski, Blazej; Bagot, Paul A. J.; Rolland, Nicolas; Neugebauer, Jörg; Raabe, Dierk; Vurpillot, François; Moody, Michael P.; Gault, Baptiste

2018-03-01

Field ion microscopy allows for direct imaging of surfaces with true atomic resolution. The high charge density distribution on the surface generates an intense electric field that can induce ionization of gas atoms. We investigate the dynamic nature of the charge and the consequent electrostatic field redistribution following the departure of atoms initially constituting the surface in the form of an ion, a process known as field evaporation. We report on a new algorithm for image processing and tracking of individual atoms on the specimen surface enabling quantitative assessment of shifts in the imaged atomic positions. By combining experimental investigations with molecular dynamics simulations, which include the full electric charge, we confirm that change is directly associated with the rearrangement of the electrostatic field that modifies the imaging gas ionization zone. We derive important considerations for future developments of data reconstruction in 3D field ion microscopy, in particular for precise quantification of lattice strains and characterization of crystalline defects at the atomic scale.

Electrostatic Climber for Space Elevator and Launcher

OpenAIRE

Bolonkin, A.

2007-01-01

Author details research on the new, very prospective, electrostatic Space Elevator climber based on a new electrostatic linear engine previously offered at the 42nd Joint Propulsion Conference (AIAA-2006-5229) and published in AEAT, Vol.78, No.6, 2006, pp. 502-508. The electrostatic climber discussed can have any speed (and braking), the energy for climber movement is delivered by a lightweight high-voltage line into a Space Elevator-holding cable from Earth electric generator. This electric ...

Inertial electrostatic confinement (IEC) fusion fundamentals and applications

CERN Document Server

Miley, George H

2014-01-01

This book provides readers with an introductory understanding of Inertial Electrostatic Confinement (IEC), a type of fusion meant to retain plasma using an electrostatic field. IEC provides a unique approach for plasma confinement, as it offers a number of spin-off applications, such as a small neutron source for Neutron Activity Analysis (NAA), that all work towards creating fusion power. The IEC has been identified in recent times as an ideal fusion power unit because of its ability to burn aneutronic fuels like p-B11 as a result of its non-Maxwellian plasma dominated by beam-like ions. This type of fusion also takes place in a simple mechanical structure small in size, which also contributes to its viability as a source of power. This book posits that the ability to study the physics of IEC in very small volume plasmas makes it possible to rapidly investigate a design to create a power-producing device on a much larger scale. Along with this hypothesis the book also includes a conceptual experiment propose...

Anode wire in cylindrical cathode tube : destabilizing electrostatic force

CERN Document Server

Wertelaers, P

2017-01-01

A two-dimensional -- cross-sectional -- discussion suffices. The tube is offset, and the electrostatic potential is found analytically with perturbative methods. Then, the force is established with the Maxwell stress tensor. Alternatively, trying to find the force with energy methods, fails. Finally, finite element tests are performed in order to report on the degree of non-linearity for large offsets.

Design space of electrostatic chuck in etching chamber

International Nuclear Information System (INIS)

Sun Yuchun; Cheng Jia; Lu Yijia; Hou Yuemin; Ji Linhong

2015-01-01

One of the core semiconductor devices is the electrostatic chuck. It has been widely used in plasma-based and vacuum-based semiconductor processing. The electrostatic chuck plays an important role in adsorbing and cooling/heating wafers, and has technical advantages on non-edge exclusion, high reliability, wafer planarity, particles reduction and so on. This article extracts key design elements from the existing knowledge and techniques of electrostatic chuck by the method proposed by Paul and Beitz, and establishes a design space systematically. The design space is composed of working objects, working principles and working structures. The working objects involve electrostatic chuck components and materials, classifications, and relevant properties; the working principles involve clamping force, residual force, and temperature control; the working structures describe how to compose an electrostatic chuck and to fulfill the overall functions. The systematic design space exhibits the main issues during electrostatic chuck design. The design space will facilitate and inspire designers to improve the design quality and shorten the design time in the conceptual design. (paper)

A Modified Electrostatic Adsorption Apparatus for Latent Fingerprint Development on Unfired Cartridge Cases.

Science.gov (United States)

Xu, Jingyang; Zhang, Ziyuan; Zheng, Xiaochun; Bond, John W

2017-05-01

Visualization of latent fingerprints on metallic surfaces by the method of applying electrostatic charging and adsorption is considered as a promising chemical-free method, which has the merit of nondestruction, and is considered to be effective for some difficult situations such as aged fingerprint deposits or those exposed to environmental extremes. In fact, a portable electrostatic generator can be easily accessible in a local forensic technology laboratory, which is already widely used in the visualization of footwear impressions. In this study, a modified version of this electrostatic apparatus is proposed for latent fingerprint development and has shown great potential in visualizing fingerprints on metallic surfaces such as cartridge cases. Results indicate that this experimental arrangement can successfully develop aged latent fingerprints on metal surfaces, and we demonstrate its effectiveness compared with existing conventional fingerprint recovery methods. © 2016 American Academy of Forensic Sciences.

Electrostatic interaction between Interball-2 and the ambient plasma. 2. Influence on the low energy ion measurements with Hyperboloid

Directory of Open Access Journals (Sweden)

M. Hamelin

2002-03-01

Full Text Available The measurement of the thermal ion distributions in space is always strongly influenced by the ion motion through the complex 3D electrostatic potential structure built around a charged spacecraft. In this work, we study the related aberrations of the ion distribution detected on board, with special application to the case of the Hyperboloid instrument borne by the Interball-2 auroral satellite. Most of the time, the Interball-2 high altitude auroral satellite is charged at some non-negligible positive potential with respect to the ambient plasma, as shown in part 1; in consequence, the measurement of magnetospheric low energy ions (< 80 eV with the Hyperboloid instrument can be disturbed by the complex electric potential environment of the satellite. In the case of positive charging, as in previous experiments, a negative bias is applied to the Hyperboloid structure in order to reduce this effect and to keep as much as possible the opportunity to detect very low energy ions. Then, the ions reaching the Hyperboloid entrance windows would have travelled across a continuous huge electrostatic lens involving various spatial scales from ~ 10 cm (detector radius to ~ 10 m (satellite antennas. Neglecting space charge effects, we have computed the ion trajectories that are able to reach the Hyperboloid windows within their acceptance angles. There are three main results: (i for given values of the satellite potential, and for each direction of arrival (each window, we deduced the related energy cutoff; (ii we found that all ions in the energy channel, including the cutoff, can come from a large range of directions in the unperturbed plasma, especially when the solar panels or antennas act as electrostatic mirrors; (iii for higher energy channels, the disturbances are reduced to small angular shifts. Biasing of the aperture is not very effective with the Hyperboloid instrument (as on previous missions with instruments installed close to the spacecraft

Extraction of uranium with TBP in an electrostatic apparatus

International Nuclear Information System (INIS)

Kalbasi, M.

1980-10-01

An experimental investigation into the utilization of electrostatic energy for solvent extraction of metallic species has been made. Drops were formed at a single nozzle and charged electrically by applying a high d.c. voltage to the nozzle which was arranged to form part of a parallel disc electrode system. After the drops left this electrode zone they travelled through a metallic pipe the purpose of which was to screen the drops from the external electrostatic forces. The liquid system employed in the present work was aqueous uranyl nitrate solution as a dispersed phase and organic tri-n-butyl phosphate (TBP)-diluent as a continuous phase. Uncharged drops were studied in the presence and absence of nitric acid salting agent and in addition both discrete and spray regimes were examined with charged drops. Size, velocity, oscillation motion, charge leakage, actual potential gradient and mass transfer coefficients (reaction rate constants) were studied. A cine camera was used to study the velocity and oscillatory motion of the charged drops moving in the continuous phase in the presence and absence of an electric field. The results of this work suggest that both hydrodynamic and electrostatic forces are responsible for the liquid-liquid extraction rate increase. (author)

GroPBS: Fast Solver for Implicit Electrostatics of Biomolecules

Directory of Open Access Journals (Sweden)

Franziska eBertelshofer

2015-11-01

Full Text Available Knowledge about the electrostatic potential on the surface of biomolecules or biomembranes under physiological conditions is an important step in the attempt to characterize the physico-chemical properties of these molecules and in particular also their interactions with each other. Additionally, knowledge about solution electrostatics may guide also the design of molecules with specified properties. However, explicit water models come at a high computational cost, rendering them unsuitable for large design studies or for docking purposes. Implicit models with the water phase treated as a continuum require the numerical solution of the Poisson-Boltzmann Equation (PBE. Here, we present a new flexible program for the numerical solution of the PBE, allowing for different geometries, and the explicit and implicit inclusion of membranes. It involves a discretization of space and the computation of the molecular surface. The PBE is solved using finite differences, the resulting set of equations is solved using a Gauss-Seidel method. It is shown for the example of the sucrose transporter ScrY that the implicit inclusion of a surrounding membrane has a strong effect also on the electrostatics within the pore region and thus need to be carefully considered e.g. in design studies on membrane proteins.

Auroral and sub-auroral phenomena: an electrostatic picture

Directory of Open Access Journals (Sweden)

J. De Keyser

2010-02-01

Full Text Available Many auroral and sub-auroral phenomena are manifestations of an underlying magnetosphere-ionosphere coupling. In the electrostatic perspective the associated auroral current circuit describes how the generator (often in the magnetosphere is connected to the load (often in the ionosphere through field-aligned currents. The present paper examines the generic properties of the current continuity equation that characterizes the auroral circuit. The physical role of the various elements of the current circuit is illustrated by considering a number of magnetospheric configurations, various auroral current-voltage relations, and different types of behaviour of the ionospheric conductivity. Based on realistic assumptions concerning the current-voltage relation and the ionospheric conductivity, a comprehensive picture of auroral and sub-auroral phenomena is presented, including diffuse aurora, discrete auroral arcs, black aurora, and subauroral ion drift. The electrostatic picture of field-aligned potential differences, field-aligned currents, ionospheric electric fields and plasma drift, and spatial scales for all these phenomena is in qualitative agreement with observations.

Electrostatic design and beam transport for a folded tandem electrostatic quadrupole accelerator facility for accelerator-based boron neutron capture therapy.

Science.gov (United States)

Vento, V Thatar; Bergueiro, J; Cartelli, D; Valda, A A; Kreiner, A J

2011-12-01

Within the frame of an ongoing project to develop a folded Tandem-Electrostatic-Quadrupole (TESQ) accelerator facility for Accelerator-Based Boron Neutron Capture Therapy (AB-BNCT), we discuss here the electrostatic design of the machine, including the accelerator tubes with electrostatic quadrupoles and the simulations for the transport and acceleration of a high intensity beam. Copyright © 2011 Elsevier Ltd. All rights reserved.

Electrostatic control by lipids upon the membrane-bound (Na+ + K+)-ATPase. II. The influence of surface potential upon the activating ion equilibria.

Science.gov (United States)

Ahrens, M L

1983-07-13

Electrostatic influences upon the enzymatic activity of the (Na+ + K+)-ATPase from ox brain (EC 3.6.1.3) have been studied. (1) The characteristics of the temperature dependence of the activity - the slopes and inflection temperature, Ti, of the Arrhenius plots - have been shown to depend on the total concentration, but not on the specific properties of added monovalent ions. (2) The enzymatic activity has been shown to be subject simultaneously to unspecific and specific influences of alkali-metal ions or NH+4. Ion-specific effects result from different binding constants of complexation between activating ions and enzyme. These stability constants are affected by the formation of an electrical double layer at the membrane surface. With increasing electrostatic screening, the complex formation is destabilized and, as a consequence, the enzymatic activity decreases. (3) This interaction between ion binding and surface electrostatics enables the enzyme to adapt its activity to the actual ionic conditions. This gives rise to a complex net dependence of the enzymatic activity upon the concentrations of activating ions. Such dependencies are analyzed, and an 'activity surface' has been constructed which represents the enzymatic activity as a function of simultaneously varying concentrations of sodium and potassium. The shape of this activity surface is determined by the relations between ion concentrations, surface potential and the resulting stability of the complexation between the activating ions and the enzyme. By means of three-dimensional representation it is demonstrated that the adaptability of the stability constants is of great importance with respect to the maintenance of the optimal ionic concentrations within the living cell. Therefore, by means of the surrounding membrane, the ATPase is provided with a quality, in addition to its substrate specificity and catalytic ability, which is necessary for its function as a transport enzyme.

Electrostatic interactions between immunoglobulin (IgG) molecules and a charged sorbent

NARCIS (Netherlands)

Bremer, M.G.E.G.; Duval, J.; Norde, Willem; Lyklema, J.

2004-01-01

The influence of electrostatic interactions on the adsorption of IgG is examined both theoretically and experimentally. The long-range interaction between IgG and the charged sorbent surface is treated in terms of the DLVO theory taking into account the possibility of charge- and potential

The electrostatic role of the Zn-Cys2His2 complex in binding of operator DNA with transcription factors: mouse EGR-1 from the Cys2His2 family.

Science.gov (United States)

Chirgadze, Y N; Boshkova, E A; Polozov, R V; Sivozhelezov, V S; Dzyabchenko, A V; Kuzminsky, M B; Stepanenko, V A; Ivanov, V V

2018-01-07

The mouse factor Zif268, known also as early growth response protein EGR-1, is a classical representative for the Cys2His2 transcription factor family. It is required for binding the RNA polymerase with operator dsDNA to initialize the transcription process. We have shown that only in this family of total six Zn-finger protein families the Zn complex plays a significant role in the protein-DNA binding. Electrostatic feature of this complex in the binding of factor Zif268 from Mus musculus with operator DNA has been considered. The factor consists of three similar Zn-finger units which bind with triplets of coding DNA. Essential contacts of the factor with the DNA phosphates are formed by three conservative His residues, one in each finger. We describe here the results of calculations of the electrostatic potentials for the Zn-Cys2His2 complex, Zn-finger unit 1, and the whole transcription factor. The potential of Zif268 has a positive area on the factor surface, and it corresponds exactly to the binding sites of each of Zn-finger units. The main part of these areas is determined by conservative His residues, which form contacts with the DNA phosphate groups. Our result shows that the electrostatic positive potential of this histidine residue is enhanced due to the Zn complex. The other contacts of the Zn-finger with DNA are related to nucleotide bases, and they are responsible for the sequence-specific binding with DNA. This result may be extended to all other members of the Cys2His2 transcription factor family.

An expanded genetic code for probing the role of electrostatics in enzyme catalysis by vibrational Stark spectroscopy.

Science.gov (United States)

Völler, Jan-Stefan; Biava, Hernan; Hildebrandt, Peter; Budisa, Nediljko

2017-11-01

To find experimental validation for electrostatic interactions essential for catalytic reactions represents a challenge due to practical limitations in assessing electric fields within protein structures. This review examines the applications of non-canonical amino acids (ncAAs) as genetically encoded probes for studying the role of electrostatic interactions in enzyme catalysis. ncAAs constitute sensitive spectroscopic probes to detect local electric fields by exploiting the vibrational Stark effect (VSE) and thus have the potential to map the protein electrostatics. Mapping the electrostatics in proteins will improve our understanding of natural catalytic processes and, in beyond, will be helpful for biocatalyst engineering. This article is part of a Special Issue entitled "Biochemistry of Synthetic Biology - Recent Developments" Guest Editor: Dr. Ilka Heinemann and Dr. Patrick O'Donoghue. Copyright © 2017 Elsevier B.V. All rights reserved.

Study of talcum charging status in parallel plate electrostatic separator based on particle trajectory analysis

Science.gov (United States)

Yunxiao, CAO; Zhiqiang, WANG; Jinjun, WANG; Guofeng, LI

2018-05-01

Electrostatic separation has been extensively used in mineral processing, and has the potential to separate gangue minerals from raw talcum ore. As for electrostatic separation, the particle charging status is one of important influence factors. To describe the talcum particle charging status in a parallel plate electrostatic separator accurately, this paper proposes a modern images processing method. Based on the actual trajectories obtained from sequence images of particle movement and the analysis of physical forces applied on a charged particle, a numerical model is built, which could calculate the charge-to-mass ratios represented as the charging status of particle and simulate the particle trajectories. The simulated trajectories agree well with the experimental results obtained by images processing. In addition, chemical composition analysis is employed to reveal the relationship between ferrum gangue mineral content and charge-to-mass ratios. Research results show that the proposed method is effective for describing the particle charging status in electrostatic separation.

Asymptotic value of screening parameter as determined from the one-electron fragment of the kinetic energy or electrostatic potential at the nucleus

International Nuclear Information System (INIS)

Teruya, Hirohide; Anno, Tosinobu

1985-01-01

Numerical value of lim sub(Z → infinity) delta(i, j)/delta Zsub(i), where (i, j) stands for average interaction energy of a pair of electrons embedded in hydrogenic orbitals (HAO's) is presented for a wide range of HAO's. Data to be presented should be useful to calculate the asymptotic limit of screening effect seen by an electron embedded in a given kind of orbital for an isoelectronic series of atoms as determined from the ''one-electron component'' of the total kinetic energy of or of the electrostatic potential at the nucleus within an atom. (author)

Potential well measurements in spherical electrostatic-inertial plasma confinement (SEIC) using a collimated proton detector

International Nuclear Information System (INIS)

Miley, G.H.; Nadler, J.H.; Gu, Y.B.

1992-01-01

A collimated proton detector has been developed for spatially resolved proton measurement in SEIC deuterium fusion experiments. The results are used to infer the potential well depth and well dynamics during SEIC operation. The SEIC operates as follows: ions enter the cathode-grid and are decelerated due to the presence of the positive space charge in the center created by the high ion density there. Since the fusion cross-section is ion-velocity dependent, the greater the height of the positive potential, the lower is the fusion reaction rate in that region. This source profile is determined by the collimated proton measurement. Analysis of the observed proton energy and parametric dependence on voltage current indicates that beam-background fusion predominantly occurs (for a typical 12-mA cathode current, 30-kV cathode voltage in a 4-mTorr D, background). Computer simulations suggest that for these parameters, a positive space charge potential of magnitude about 1/2 of the applied voltage forms inside the cathode. These results establish the first measurement of a positive potential well structure inside an ion injected SEIC device. The dynamics of the well profile with changing injected current is described along with a description of the technique used for unfolding the proton data

Electrostatic similarities between protein and small molecule ligands facilitate the design of protein-protein interaction inhibitors.

Directory of Open Access Journals (Sweden)

Arnout Voet

Full Text Available One of the underlying principles in drug discovery is that a biologically active compound is complimentary in shape and molecular recognition features to its receptor. This principle infers that molecules binding to the same receptor may share some common features. Here, we have investigated whether the electrostatic similarity can be used for the discovery of small molecule protein-protein interaction inhibitors (SMPPIIs. We have developed a method that can be used to evaluate the similarity of electrostatic potentials between small molecules and known protein ligands. This method was implemented in a software called EleKit. Analyses of all available (at the time of research SMPPII structures indicate that SMPPIIs bear some similarities of electrostatic potential with the ligand proteins of the same receptor. This is especially true for the more polar SMPPIIs. Retrospective analysis of several successful SMPPIIs has shown the applicability of EleKit in the design of new SMPPIIs.

Electrostatic coating technologies for food processing.

Science.gov (United States)

Barringer, Sheryl A; Sumonsiri, Nutsuda

2015-01-01

The application of electrostatics in both powder and liquid coating can improve the quality of food, such as its appearance, aroma, taste, and shelf life. Coatings can be found most commonly in the snack food industry, as well as in confectionery, bakery, meat and cheese processing. In electrostatic powder coating, the most important factors influencing coating quality are powder particle size, density, flowability, charge, and resistivity, as well as the surface properties and characteristics of the target. The most important factors during electrostatic liquid coating, also known as electrohydrodynamic coating, include applied voltage and electrical resistivity and viscosity of the liquid. A good understanding of these factors is needed for the design of optimal coating systems for food processing.

Electrostatic micromotor based on ferroelectric ceramics

Science.gov (United States)

Baginsky, I. L.; Kostsov, E. G.

2004-11-01

A new electrostatic micromotor is described that utilizes the electromechanical energy conversion principle earlier described by the authors. The electromechanical energy conversion is based on reversible electrostatic rolling of thin metallic films (petals) on a ferroelectric surface. The motor's active media are layers of ferroelectric ceramics (about 100 µm in thickness). The characteristics of the electrostatic rolling of the petals on different ceramic surfaces are studied, as well as the dynamic characteristics of the micromotors. It is shown that the use of antiferroelectric material allows one to reach a specific energy capacitance comparable to that of the micromotors based on ferroelectric films and to achieve a specific power of 30-300 µW mm-2.

Low Mach-number collisionless electrostatic shocks and associated ion acceleration

Science.gov (United States)

Pusztai, I.; TenBarge, J. M.; Csapó, A. N.; Juno, J.; Hakim, A.; Yi, L.; Fülöp, T.

2018-03-01

The existence and properties of low Mach-number (M≳ 1) electrostatic collisionless shocks are investigated with a semi-analytical solution for the shock structure. We show that the properties of the shock obtained in the semi-analytical model can be well reproduced in fully kinetic Eulerian Vlasov-Poisson simulations, where the shock is generated by the decay of an initial density discontinuity. Using this semi-analytical model, we study the effect of the electron-to-ion temperature ratio and the presence of impurities on both the maximum shock potential and the Mach number. We find that even a small amount of impurities can influence the shock properties significantly, including the reflected light ion fraction, which can change several orders of magnitude. Electrostatic shocks in heavy ion plasmas reflect most of the hydrogen impurity ions.

Investigating ESD sensitivity in electrostatic SiGe MEMS

International Nuclear Information System (INIS)

Sangameswaran, Sandeep; De Coster, Jeroen; Linten, Dimitri; Scholz, Mirko; Thijs, Steven; Groeseneken, Guido; De Wolf, Ingrid

2010-01-01

The sensitivity of electrostatically actuated SiGe microelectromechanical systems to electrostatic discharge events has been investigated in this paper. Torsional micromirrors and RF microelectromechanical systems (MEMS) actuators have been used as two case studies to perform this study. On-wafer electrostatic discharge (ESD) measurement methods, such as the human body model (HBM) and machine model (MM), are discussed. The impact of HBM ESD zap tests on the functionality and behavior of MEMS is explained and the ESD failure levels of MEMS have been verified by failure analysis. It is demonstrated that electrostatic MEMS devices have a high sensitivity to ESD and that it is essential to protect them.

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

Science.gov (United States)

Hallez, Yannick; Meireles, Martine

2016-10-11

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

Determination of the electrostatic potential distribution in Pt/Fe:SrTiO3/Nb:SrTiO3 thin-film structures by electron holography

Science.gov (United States)

Marchewka, Astrid; Cooper, David; Lenser, Christian; Menzel, Stephan; Du, Hongchu; Dittmann, Regina; Dunin-Borkowski, Rafal E.; Waser, Rainer

2014-11-01

We determined the electrostatic potential distribution in pristine Pt/Fe:SrTiO3/Nb:SrTiO3 structures by electron holography experiments, revealing the existence of a depletion layer extending into the Nb-doped bottom electrode. Simulations of potential profiles in metal-insulator-metal structures were conducted assuming different types and distributions of dopants. It is found that the presence of acceptor-type dopant concentrations at the Fe:SrTiO3/Nb:SrTiO3 interface with a donor-doped insulating layer provides a good match to the measured profile. Such acceptor-type interface concentrations may be associated with Sr vacancies on the Nb:SrTiO3 side of the bottom interface.

Fabrication of graphene/polyaniline composite multilayer films by electrostatic layer-by-layer assembly

Science.gov (United States)

Cong, Jiaojiao; Chen, Yuze; Luo, Jing; Liu, Xiaoya

2014-10-01

A novel graphene/polyaniline composite multilayer film was fabricated by electrostatic interactions induced layer-by-layer self-assembly technique, using water dispersible and negatively charged chemically converted graphene (CCG) and positively charged polyaniline (PANI) as building blocks. CCG was achieved through partly reduced graphene oxide, which remained carboxyl group on its surface. The remaining carboxyl groups not only retain the dispersibility of CCG, but also allow the growth of the multilayer films via electrostatic interactions between graphene and PANI. The structure and morphology of the obtained CCG/PANI multilayer film are characterized by attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, Ultraviolet-visible absorption spectrum (UV-vis), scanning electron microscopy (SEM), Raman spectroscopy and X-Ray Diffraction (XRD). The electrochemical properties of the resulting film are studied using cyclic voltammetry (CV), which showed that the resulting CCG/PANI multilayer film kept electroactivity in neutral solution and showed outstanding cyclic stability up to 100 cycles. Furthermore, the composite film exhibited good electrocatalytic ability toward ascorbic acid (AA) with a linear response from 1×10-4 to 1.2×10-3 M with the detect limit of 5×10-6 M. This study provides a facile and effective strategy to fabricate graphene/PANI nanocomposite film with good electrochemical property, which may find potential applications in electronic devices such as electrochemical sensor.

Nonlinear dynamics of resistive electrostatic drift waves

DEFF Research Database (Denmark)

Korsholm, Søren Bang; Michelsen, Poul; Pécseli, H.L.

1999-01-01

The evolution of weakly nonlinear electrostatic drift waves in an externally imposed strong homogeneous magnetic field is investigated numerically in three spatial dimensions. The analysis is based on a set of coupled, nonlinear equations, which are solved for an initial condition which is pertur......The evolution of weakly nonlinear electrostatic drift waves in an externally imposed strong homogeneous magnetic field is investigated numerically in three spatial dimensions. The analysis is based on a set of coupled, nonlinear equations, which are solved for an initial condition which...... polarity, i.e. a pair of electrostatic convective cells....

Magnetic and electrostatic confinement of plasma with tuning of electrostatic field

Science.gov (United States)

Rostoker, Norman [Irvine, CA; Binderbauer, Michl [Irvine, CA; Qerushi, Artan [Irvine, CA; Tahsiri, Hooshang [Irvine, CA

2008-10-21

A system and method for containing plasma and forming a Field Reversed Configuration (FRC) magnetic topology are described in which plasma ions are contained magnetically in stable, non-adiabatic orbits in the FRC. Further, the electrons are contained electrostatically in a deep energy well, created by tuning an externally applied magnetic field. The simultaneous electrostatic confinement of electrons and magnetic confinement of ions avoids anomalous transport and facilitates classical containment of both electrons and ions. In this configuration, ions and electrons may have adequate density and temperature so that upon collisions they are fused together by nuclear force, thus releasing fusion energy. Moreover, the fusion fuel plasmas that can be used with the present confinement system and method are not limited to neutronic fuels only, but also advantageously include advanced fuels.

Electrostatic systems used for the multipassage magnetic mass spectrometers

Energy Technology Data Exchange (ETDEWEB)

Berger, C; Baril, M

1987-08-15

Improvement in the power of resolution is desirable in the multiplication of passages in magnetic fields; our guiding principle is to carry out the operation using a single magnetic prism. In the multipassage process the ions must first turn back after leaving the prism. This turnback is obtained by an electrostatic mirror. We obtain a large enough number of passages by placing two mirrors and two systems with time-varying roles at right angles. These systems are referred to as lens-mirror 1. When they act as mirrors, they enable the particles to circulate in a closed circuit; when they act as lenses, they enable the particles to enter the circuit or leave it. The coupling of two multipassage spectrometers is momentarily possible thanks to lens-mirror 2. The function change results from a change in electrode potential. The requirements for these electrostatic systems and their construction are studied.

pH-Responsive Particle-Liquid Aggregates—Electrostatic Formation Kinetics

Directory of Open Access Journals (Sweden)

Peter M. Ireland

2018-06-01

Full Text Available Liquid-particle aggregates were formed electrostatically using pH-responsive poly[2-(diethylaminoethyl methacrylate] (PDEA-coated polystyrene particles. This novel non-contact electrostatic method has been used to assess the particle stimulus-responsive wettability in detail. Video footage and fractal analysis were used in conjunction with a two-stage model to characterize the kinetics of transfer of particles to a water droplet surface, and internalization of particles by the droplet. While no stable liquid marbles were formed, metastable marbles were manufactured, whose duration of stability depended strongly on drop pH. Both transfer and internalization were markedly faster for droplets at low pH, where the particles were expected to be hydrophilic, than at high pH where they were expected to be hydrophobic. Increasing the driving electrical potential produced greater transfer and internalization times. Possible reasons for this are discussed.

Hazard of electrostatic generation in a pneumatic conveying system: electrostatic effects on the accuracy of electrical capacitance tomography measurements and generation of spark

International Nuclear Information System (INIS)

Zhang, Yan; Wang, Chi-Hwa; Liang, Yung Chii

2008-01-01

The study of the hazard of electrostatic generation in pneumatic conveying systems was attempted by examining the sensitivity of electrical capacitance tomography (ECT) and the phenomena of spark generation due to strong electrostatics. The influence on ECT measurement accuracy of an electrostatic charge was analysed with reference to a switch capacitor configuration model. Consequently, it was found that the electrostatic charge introduced at the bend with sharp angles influenced the ECT results most significantly in pneumatic conveying systems, especially for the cases where a spark was generated. The investigation of spark generation indicated that a strong electrostatic charge can cause major discharges inside or outside the pipeline to damage the experimental instrument in severe cases

Multipolar electrostatics for proteins: atom-atom electrostatic energies in crambin.

Science.gov (United States)

Yuan, Yongna; Mills, Matthew J L; Popelier, Paul L A

2014-02-15

Accurate electrostatics necessitates the use of multipole moments centered on nuclei or extra point charges centered away from the nuclei. Here, we follow the former alternative and investigate the convergence behavior of atom-atom electrostatic interactions in the pilot protein crambin. Amino acids are cut out from a Protein Data Bank structure of crambin, as single amino acids, di, or tripeptides, and are then capped with a peptide bond at each side. The atoms in the amino acids are defined through Quantum Chemical Topology (QCT) as finite volume electron density fragments. Atom-atom electrostatic energies are computed by means of a multipole expansion with regular spherical harmonics, up to a total interaction rank of L = ℓA+ ℓB + 1 = 10. The minimum internuclear distance in the convergent region of all the 15 possible types of atom-atom interactions in crambin that were calculated based on single amino acids are close to the values calculated from di and tripeptides. Values obtained at B3LYP/aug-cc-pVTZ and MP2/aug-cc-pVTZ levels are only slightly larger than those calculated at HF/6-31G(d,p) level. This convergence behavior is transferable to the well-known amyloid beta polypeptide Aβ1-42. Moreover, for a selected central atom, the influence of its neighbors on its multipole moments is investigated, and how far away this influence can be ignored is also determined. Finally, the convergence behavior of AMBER becomes closer to that of QCT with increasing internuclear distance. Copyright © 2013 Wiley Periodicals, Inc.

Quantification of the electrostatic forces involved in the directed assembly of colloidal nanoparticles by AFM nanoxerography.

Science.gov (United States)

Palleau, E; Sangeetha, N M; Ressier, L

2011-08-12

Directed assembly of 10 nm dodecanethiol stabilized silver nanoparticles in hexane and 14 nm citrate stabilized gold nanoparticles in ethanol was performed by AFM nanoxerography onto charge patterns of both polarities written into poly(methylmethacrylate) thin films. The quasi-neutral silver nanoparticles were grafted on both positive and negative charge patterns while the negatively charged gold nanoparticles were selectively deposited on positive charge patterns only. Numerical simulations were conducted to quantify the magnitude, direction and spatial range of the electrophoretic and dielectrophoretic forces exerted by the charge patterns on these two types of nanoparticles in suspension taken as models. The simulations indicate that the directed assembly of silver nanoparticles on both charge patterns is due to the predominant dielectrophoretic forces, while the selective assembly of gold nanoparticles only on positive charge patterns is due to the predominant electrophoretic forces. The study also suggests that the minimum surface potential of charge patterns required for obtaining effective nanoparticle assembly depends strongly on the charge and polarizability of the nanoparticles and also on the nature of the dispersing solvent. Attractive electrostatic forces of about 2 × 10( - 2) pN in magnitude just above the charged surface appear to be sufficient to trap silver nanoparticles in hexane onto charge patterns and the value is about 2 pN for gold nanoparticles in ethanol, under the present experimental conditions. The numerical simulations used in this work to quantify the electrostatic forces operating in the directed assembly of nanoparticles from suspensions onto charge patterns can easily be extended to any kind of colloid and serve as an effective tool for a better comprehension and prediction of liquid-phase nanoxerography processes.

Quantification of the electrostatic forces involved in the directed assembly of colloidal nanoparticles by AFM nanoxerography

International Nuclear Information System (INIS)

Palleau, E; Sangeetha, N M; Ressier, L

2011-01-01

Directed assembly of 10 nm dodecanethiol stabilized silver nanoparticles in hexane and 14 nm citrate stabilized gold nanoparticles in ethanol was performed by AFM nanoxerography onto charge patterns of both polarities written into poly(methylmethacrylate) thin films. The quasi-neutral silver nanoparticles were grafted on both positive and negative charge patterns while the negatively charged gold nanoparticles were selectively deposited on positive charge patterns only. Numerical simulations were conducted to quantify the magnitude, direction and spatial range of the electrophoretic and dielectrophoretic forces exerted by the charge patterns on these two types of nanoparticles in suspension taken as models. The simulations indicate that the directed assembly of silver nanoparticles on both charge patterns is due to the predominant dielectrophoretic forces, while the selective assembly of gold nanoparticles only on positive charge patterns is due to the predominant electrophoretic forces. The study also suggests that the minimum surface potential of charge patterns required for obtaining effective nanoparticle assembly depends strongly on the charge and polarizability of the nanoparticles and also on the nature of the dispersing solvent. Attractive electrostatic forces of about 2 x 10 -2 pN in magnitude just above the charged surface appear to be sufficient to trap silver nanoparticles in hexane onto charge patterns and the value is about 2 pN for gold nanoparticles in ethanol, under the present experimental conditions. The numerical simulations used in this work to quantify the electrostatic forces operating in the directed assembly of nanoparticles from suspensions onto charge patterns can easily be extended to any kind of colloid and serve as an effective tool for a better comprehension and prediction of liquid-phase nanoxerography processes.

High-energy capacitance electrostatic micromotors

Science.gov (United States)

Baginsky, I. L.; Kostsov, E. G.

2003-03-01

The design and parameters of a new electrostatic micromotor with high energy output are described. The motor is created by means of microelectronic technology. Its operation is based on the electromechanic energy conversion during the electrostatic rolling of the metallic films (petals) on the ferroelectric film surface. The mathematical simulation of the main characteristics of the rolling process is carried out. The experimentally measured parameters of the petal step micromotors are shown. The motor operation and its efficiency are investigated.

Positive organizational potential as a valuable resource of the contemporary company

Directory of Open Access Journals (Sweden)

Bohdan Godziszewski

2014-12-01

Full Text Available The main aim of the article is to present an outcome of the research project concerning the essence and importance of positive organizational potential understood as state, levels and configurations of companies’ resources which stimulate positive organizational climate, positive organizational culture and positive employees’ behaviour, supporting comprehensive companies’ development. Within the project framework was necessary to identify the internal structure of positive potential, positive culture, positive climate and positive employees’ behaviours. Correlations among the above phenomena and companies’ performances were calculated, within a group of 103 Polish companies, as well.

Electrostatic atomization--Experiment, theory and industrial applications

Science.gov (United States)

Okuda, H.; Kelly, Arnold J.

1996-05-01

Experimental and theoretical research has been initiated at the Princeton Plasma Physics Laboratory on the electrostatic atomization process in collaboration with Charged Injection Corporation. The goal of this collaboration is to set up a comprehensive research and development program on the electrostatic atomization at the Princeton Plasma Physics Laboratory so that both institutions can benefit from the collaboration. Experimental, theoretical and numerical simulation approaches are used for this purpose. An experiment consisting of a capillary sprayer combined with a quadrupole mass filter and a charge detector was installed at the Electrostatic Atomization Laboratory to study fundamental properties of the charged droplets such as the distribution of charges with respect to the droplet radius. In addition, a numerical simulation model is used to study interaction of beam electrons with atmospheric pressure water vapor, supporting an effort to develop an electrostatic water mist fire-fighting nozzle.

Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins

Energy Technology Data Exchange (ETDEWEB)

Gunner, Marilyn R.; Baker, Nathan A.

2016-06-20

Proteins change their charge state through protonation and redox reactions as well as through binding charged ligands. The free energy of these reactions are dominated by solvation and electrostatic energies and modulated by protein conformational relaxation in response to the ionization state changes. Although computational methods for calculating these interactions can provide very powerful tools for predicting protein charge states, they include several critical approximations of which users should be aware. This chapter discusses the strengths, weaknesses, and approximations of popular computational methods for predicting charge states and understanding their underlying electrostatic interactions. The goal of this chapter is to inform users about applications and potential caveats of these methods as well as outline directions for future theoretical and computational research.

Quantitative nanoscale electrostatics of viruses.

Science.gov (United States)

Hernando-Pérez, M; Cartagena-Rivera, A X; Lošdorfer Božič, A; Carrillo, P J P; San Martín, C; Mateu, M G; Raman, A; Podgornik, R; de Pablo, P J

2015-11-07

Electrostatics is one of the fundamental driving forces of the interaction between biomolecules in solution. In particular, the recognition events between viruses and host cells are dominated by both specific and non-specific interactions and the electric charge of viral particles determines the electrostatic force component of the latter. Here we probe the charge of individual viruses in liquid milieu by measuring the electrostatic force between a viral particle and the Atomic Force Microscope tip. The force spectroscopy data of co-adsorbed ϕ29 bacteriophage proheads and mature virions, adenovirus and minute virus of mice capsids is utilized for obtaining the corresponding density of charge for each virus. The systematic differences of the density of charge between the viral particles are consistent with the theoretical predictions obtained from X-ray structural data. Our results show that the density of charge is a distinguishing characteristic of each virus, depending crucially on the nature of the viral capsid and the presence/absence of the genetic material.

Reducing detrimental electrostatic effects in Casimir-force measurements and Casimir-force-based microdevices

Science.gov (United States)

Xu, Jun; Klimchitskaya, G. L.; Mostepanenko, V. M.; Mohideen, U.

2018-03-01

It is well known that residual electrostatic forces create significant difficulties in precise measurements of the Casimir force and the wide use of Casimir-operated microdevices. We experimentally demonstrate that, with the help of Ar-ion cleaning of the surfaces, it is possible to make electrostatic effects negligibly small compared to the Casimir interaction. Our experimental setup consists of a dynamic atomic force microscope supplemented with an Ar-ion gun and argon reservoir. The residual potential difference between the Au-coated surfaces of a sphere and those of a plate was measured both before and after in situ Ar-ion cleaning. It is shown that this cleaning decreases the magnitude of the residual potential by up to an order of magnitude and makes it almost independent of the separation. The gradient of the Casimir force was measured using ordinary samples subjected to Ar-ion cleaning. The obtained results are shown to be in good agreement both with previous precision measurements using specially selected samples and with theoretical predictions of the Lifshitz theory. The conclusion is made that the suggested method of in situ Ar-ion cleaning is effective in reducing the electrostatic effects and therefore is a great resource for experiments on measuring the Casimir interaction and for Casimir-operated microdevices.

Potential profiles in the central core of the cathode in the star mode operation in an inertial-electrostatic fusion neutron source

International Nuclear Information System (INIS)

Yoshikawa, K.; Masuda, K.; Toku, H.

2003-01-01

After the successful measurements of the localized electric fields in the center-spot mode operation with relatively large space-charge effects by the laser-induced fluorescence (LIF) method, measurements of potential profiles in the star mode operation with small space-charge effects on helium gas are made in the central cathode core region of an Inertial-Electrostatic Confinement Fusion (IECF) neutron source, which is most suitable to neutron calibration in the fusion devices. Since the high-voltage is required to the star mode operation on deuterium gas, it is predicted to bring about very small beam space charge-related potential. To increase accuracy, we adopted n=4 (2 1 S to 4 1 D:HeI) transition, instead of previous n=3, which is most sensitive to the local electric fields in the Stark transition, and verified using the well-known U-shaped hollow cathode potential. The localized electric fields thus measured by LIF method using n=4 transition show negligible electric fields in the star mode compared with the center-spot mode. (author)

Head-on collisions of electrostatic solitons in multi-ion plasmas

International Nuclear Information System (INIS)

Verheest, Frank; Hellberg, Manfred A.; Hereman, Willy A.

2012-01-01

Head-on collisions between two electrostatic solitons are dealt with by the Poincaré-Lighthill-Kuo method of strained coordinates, for a plasma composed of a number of cold (positive and negative) ion species and Boltzmann electrons. The nonlinear evolution equations for both solitons and their phase shift due to the collision, resulting in time delays, are established. A Korteweg-de Vries description is the generic conclusion, except when the plasma composition is special enough to replace the quadratic by a cubic nonlinearity in the evolution equations, with concomitant repercussions on the phase shifts. Applications include different two-ion plasmas, showing positive or negative polarity solitons in the generic case. At critical composition, a combination of a positive and a negative polarity soliton is possible.

Electrostatic ion-cyclotron waves in a nonuniform magnetic field

International Nuclear Information System (INIS)

Cartier, S.L.; D'Angelo, N.; Merlino, R.L.

1985-01-01

The properties of electrostatic ion-cyclotron waves excited in a single-ended cesium Q machine with a nonuniform magnetic field are described. The electrostatic ion-cyclotron waves are generated in the usual manner by drawing an electron current to a small exciter disk immersed in the plasma column. The parallel and perpendicular (to B) wavelengths and phase velocities are determined by mapping out two-dimensional wave phase contours. The wave frequency f depends on the location of the exciter disk in the nonuniform magnetic field, and propagating waves are only observed in the region where f> or approx. =f/sub c/i, where f/sub c/i is the local ion-cyclotron frequency. The parallel phase velocity is in the direction of the electron drift. From measurements of the plasma properties along the axis, it is inferred that the electron drift velocity is not uniform along the entire current channel. The evidence suggests that the waves begin being excited at that axial position where the critical drift velocity is first exceeded, consistent with a current-driven excitation mechanism

Spatial distribution of potential and positive Aedes aegypti breeding sites

Directory of Open Access Journals (Sweden)

Daniel Elías Cuartas

2017-03-01

Conclusions: The spatial relationship between positive and potential A. aegypti breeding sites both indoors and outdoors is dynamic and highly sensitive to the characteristics of each territory. Knowing how positive and potential breeding sites are distributed contributes to the prioritization of resources and actions in vector control programs.

Electrostatic electron spectrometer based on two cylinders without axial symmetry

International Nuclear Information System (INIS)

Varga, D.; Toekesi, K.

2005-01-01

Complete text of publication follows. During the last decades electrostatic analyzers were widely used in atomic and surface physics. This was due to their good focusing and dispersion properties, The cylindrical mirror analyzer (CMA) is one of the most advantageous electrostatic analyzers. Its second order focusing properties have been calculated by many authors. A modified, so called 'box' type, CMA (ESA-13) is described in ref. [1]. For CMA (ESA-13), the position of the electron source and focus are outside the analyzer which is desirable for practical reasons. The ends of the cylinders are closed with two coaxial discs, therefore the electrostatic field near the edge is distorted compared to the logarithmic field existing in the classical 'in-finite' cylindrical mirror analyzer. However, the 'box' type distorted field cylindrical mirror analyzer geometry contains several limitations regarding the irradiation of the sample. Therefore, the construction of these analyzers was changed by replacing the endings of the analyzer with conically shaped electrodes ensuring a better accessibility for excitation. But among the various experimental tasks many geometrical conditions arise that are different or that need different sizes compared with the previous ones. Therefore, in a practical point of view, it is extremely advantageous to have different variations of spectrometers. This allows us to choose the best solution for a given problem. In this work, we present electron-optical properties of a mirror type electrostatic electron spectrometer consisting of two cylinders with eccentricity (see Fig 1.), namely the Eccentric Cylindrical Mirror Analyzer (ECMA). The designed analyzer is a possible variation of CMA for measuring the energy distribution of electrons with high energy resolution or making an electron monocromator. It has been shown that the Eccentric Cylindrical Mirror Analyzer has second-order focusing properties with remarkable dispersion (see Fig 2

Electrostatic and magnetic fields in bilayer graphene

Science.gov (United States)

Jellal, Ahmed; Redouani, Ilham; Bahlouli, Hocine

2015-08-01

We compute the transmission probability through rectangular potential barriers and p-n junctions in the presence of a magnetic and electric fields in bilayer graphene taking into account contributions from the full four bands of the energy spectrum. For energy E higher than the interlayer coupling γ1 (E >γ1) two propagation modes are available for transport giving rise to four possible ways for transmission and reflection coefficients. However, when the energy is less than the height of the barrier the Dirac fermions exhibit transmission resonances and only one mode of propagation is available for transport. We study the effect of the interlayer electrostatic potential denoted by δ and variations of different barrier geometry parameters on the transmission probability.

Electrostatics in Chemistry

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 2. Electrostatics in Chemistry - Basic Principles. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 2 February 1999 pp 8-19. Fulltext. Click here to view fulltext PDF. Permanent link:

Excitation of electrostatic ion cyclotron wave in electron beam plasma system

International Nuclear Information System (INIS)

Fukumura, Takashi; Takamoto, Teruo

1984-01-01

The electrostatic ion cyclotron waves excited in an electron beam plasma system was investigated. The excitation condition of the waves was calculated by using Harris type dispersion relation under some assumption, and its comparison with the experimental result was made. Beam plasma discharge is a kind of RF discharge, and it is caused by the waves generated by the interaction of electron beam with plasma. It was shown that electrostatic ion cyclotron waves seemed to be the most probable as excited waves. But the excitation mechanism of these waves has not been concretely investigated. In this study, the excitation condition of electrostatic ion cyclotron waves was calculated as described above. The experimental apparatus and the results of potential, electric field and ion saturation current in beam plasma, electron drift motion in azimuthal direction and the waves excited in beam plasma are reported. The frequency of oscillation observed in beam plasma corresponds to the harmonics or subharmonics of ion cyclotron frequency. The calculation of Harris type dispersion relation, the numerical calculation and the comparison of the experimental result with the calculated result are described. (Kako, I.)

Evaluation of Electrostatic Force on Bipolar Charged Electret

International Nuclear Information System (INIS)

Sonoda, K; Minami, K; Miwatani, N; Fujita, T; Kanda, K; Maenaka, K

2014-01-01

This paper presents an evaluation of an electrostatic vibration energy harvester with the bipolar charged electret. The energy harvester with the size of 13 × 12 × 1.2 mm 3 was fabricated. The output power of the bipolar charged with ±250 V harvester was 9 μW when the acceleration was 1.4 g at 352 Hz with 0.9 MΩ load resistance. The effectiveness against the velocity-damped resonant-generator (VDRG) limit was 2.5%. The electrostatic forces of the actual device with DC bias, which simulates charged electret with monopolar and bipolar were experimentally and numerically verified. We estimated the electrostatic force by measuring the vibration amplitude versus applied acceleration of the electret mass. As a result, we investigated the bipolar charged device can reduce the effect of electrostatic force as low as no bias condition. The numerical model of the energy harvester considering the electrostatic force by FEM static analysis was also established. The comparison between the numerical model and the measurement results showed a similar inclination

Effect of electrostatic charge in plastic spacers on the lung delivery of HFA-salbutamol in children

DEFF Research Database (Denmark)

Anhøj, J; Bisgaard, H; Lipworth, B J

1999-01-01

delivered a significantly (Pplastic spacers reduces lung dose in children by more than two-fold. This is clinically significant and the use of potentially electrostatically charged......AIMS: The effect of the electrostatic charge in plastic spacers in vivo on drug delivery to the lung of hydrofluoroalkane (HFA) salbutamol spray was studied in children. METHODS: Five children, aged 7-12 years, were included in a 3-way crossover randomised single-blind trial. Salbutamol HFA spray...... was delivered on 3 different study days from plastic spacers with mouthpiece. Pre-treatment of the spacers differed between study days: (a) Non-electrostatic 350 ml Babyhaler (coated with benzalkonium chloride) (b) New 350 ml Babyhaler (rinsed in water), and (c) New 145 ml AeroChamber (rinsed in water). Plasma...

Unintended Positional Drift and Its Potential Solutions

DEFF Research Database (Denmark)

Nilsson, Niels Christian; Serafin, Stefania; Nordahl, Rolf

2013-01-01

many users unintentionally move forward while walking in place. We refer to this phenomenon accidental movement as Unintended Positional Drift. The poster presents evidence of the phenomenon's existence and subsequently discusses different design solutions which potentially could circumvent the problem....

Manufacture of electrostatic septum for extracting particle beam

International Nuclear Information System (INIS)

Tokumoto, Shuichi

1979-01-01

In the main ring of National Laboratory for High Energy Physics, fast and slow extractions of accelerated proton beam are carried out by using electrostatic septa. The electrostatic septum is an apparatus to deflect beam by an electrostatic field, basically composed of a couple of parallel plate electrodes installed in a vacuum chamber. The electrostatic septum is required to satisfy the following two conditions: it must be very thin and flat to reduce the loss of extracted beam, and sufficiently high electric field must be generated to deflect beam in a limited length. The structure and manufacture of electrostatic septa are described. The manufacturing is explained by dividing a septum into an anode and a cathode, terminals introducing high voltage, a vacuum chamber, and high voltage circuit. The performance is also described on the experiments for no-beam condition and beam extraction. Beam extraction has been carried out over 1500 hours thus far, the average beam intensity being 1 x 10 12 ppp, and extraction efficiency more than 90%. There have been no serious failure to affect the performance nor metal wire breakage. They have satisfied their purposes, being used for both fast and slow extractions. Presently, lengthening of the electrostatic field region is being planned to increase the length of the septa to 1.5 m per unit. (Wakatsuki, Y.)

Driven diffusion against electrostatic or effective energy barrier across α-hemolysin

Energy Technology Data Exchange (ETDEWEB)

Ansalone, Patrizio [Istituto Nazionale di Ricerca Metrologica, Strada delle Cacce 91, Torino, IT-10135 (Italy); Chinappi, Mauro [Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, Via Regina Elena 291, 00161 Roma (Italy); Rondoni, Lamberto [Scienze Matematiche, Politecnico di Torino Corso Duca degli Abruzzi 24, Torino, IT-10129, Italy and INFN, Sez. di Torino, Via P. Giuria 1, Torino IT-10125 (Italy); Cecconi, Fabio, E-mail: fabio.cecconi@roma1.infn.it [CNR-Istituto dei Sistemi Complessi UoS “Sapienza,” Via dei Taurini 19, 00185 Roma (Italy)

2015-10-21

We analyze the translocation of a charged particle across an α-Hemolysin (αHL) pore in the framework of a driven diffusion over an extended energy barrier generated by the electrical charges of the αHL. A one-dimensional electrostatic potential is extracted from the full 3D solution of the Poisson’s equation. We characterize the particle transport under the action of a constant forcing by studying the statistics of the translocation time. We derive an analytical expression of translocation time average that compares well with the results from Brownian dynamic simulations of driven particles over the electrostatic potential. Moreover, we show that the translocation time distributions can be perfectly described by a simple theory which replaces the true barrier by an equivalent structureless square barrier. Remarkably, our approach maintains its accuracy also for low-applied voltage regimes where the usual inverse-Gaussian approximation fails. Finally, we discuss how the comparison between the simulated time distributions and their theoretical prediction results to be greatly simplified when using the notion of the empirical Laplace transform technique.

Formation of electrostatic double-layers and electron-holes in a low pressure mercury plasma column

International Nuclear Information System (INIS)

Petraconi, G; Maciel, Homero S

2003-01-01

Experimental studies of the formation of electrostatic double layers (DLs) and electron-holes (e-holes) are reported. The measurements were performed in the positive column of a mercury arc discharge operating in the low-pressure range of (2.0-14.0) x 10 -2 Pa with current density in the range of (3.0-8.0) x 10 3 A m -2 . Stable and unstable modes of the discharge were identified as the current was gradually increased, keeping constant the vapour pressure. The discharge remains stable until a critical current from which a slight increase of the current leads to an unstable regime characterized by high discharge impedance and strong oscillations. This mode ceased after a DL was formed in the plasma column. To induce the DL formation and to transport it smoothly along the discharge column, a low intensity B-field (7-10) x 10 -3 T produced by a movable single coil was used. The B-field locally increases the electron current density and makes the DL form at the centre of the magnetic constriction where it remained at rest. Electrostatic potential structures compatible with ordinary DLs and multiple-layers could be formed in the plasma column by dealing with the combined effects of the operational parameters of the discharge. It is noticeable that a pure e-hole, which is a symmetric triple-layer having a bell shape potential profile, could easily be formed by means of this experimental technique. A partial kinetic description, based on the space charge structure derived from an experimental e-hole, is presented in order to infer the charged particle populations that could contribute to the space charge of the e-hole. Evidence is shown that strong e-hole formation might be driven by an ion beam, therefore it could not be formed in isolation since its formation requires a nearby ion accelerating potential structure. Probe measurements of the plasma properties, at various radial positions of the stable positive column, are also presented. In the stable mode, prior to

A resolution study for electrostatic force microscopy on bimetallic samples using the boundary element method

International Nuclear Information System (INIS)

Shen Yongxing; Lee, Minhwan; Lee, Wonyoung; Barnett, David M; Pinsky, Peter M; Prinz, Friedrich B

2008-01-01

Electrostatic force microscopy (EFM) is a special design of non-contact atomic force microscopy used for detecting electrostatic interactions between the probe tip and the sample. Its resolution is limited by the finite probe size and the long-range characteristics of electrostatic forces. Therefore, quantitative analysis is crucial to understanding the relationship between the actual local surface potential distribution and the quantities obtained from EFM measurements. To study EFM measurements on bimetallic samples with surface potential inhomogeneities as a special case, we have simulated such measurements using the boundary element method and calculated the force component and force gradient component that would be measured by amplitude modulation (AM) EFM and frequency modulation (FM) EFM, respectively. Such analyses have been performed for inhomogeneities of various shapes and sizes, for different tip-sample separations and tip geometries, for different applied voltages, and for different media (e.g., vacuum or water) in which the experiment is performed. For a sample with a surface potential discontinuity, the FM-EFM resolution expression agrees with the literature; however, the simulation for AM-EFM suggests the existence of an optimal tip radius of curvature in terms of resolution. On the other hand, for samples with strip- and disk-shaped surface potential inhomogeneities, we have obtained quantitative expressions for the detectability size requirements as a function of experimental conditions for both AM- and FM-EFMs, which suggest that a larger tip radius of curvature is moderately favored for detecting the presence of such inhomogeneities

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

International Nuclear Information System (INIS)

Fisicaro, G.; Goedecker, S.; Genovese, L.; Andreussi, O.; Marzari, N.

2016-01-01

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments.

Science.gov (United States)

Fisicaro, G; Genovese, L; Andreussi, O; Marzari, N; Goedecker, S

2016-01-07

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

Energy Technology Data Exchange (ETDEWEB)

Fisicaro, G., E-mail: giuseppe.fisicaro@unibas.ch; Goedecker, S. [Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel (Switzerland); Genovese, L. [University of Grenoble Alpes, CEA, INAC-SP2M, L-Sim, F-38000 Grenoble (France); Andreussi, O. [Institute of Computational Science, Università della Svizzera Italiana, Via Giuseppe Buffi 13, CH-6904 Lugano (Switzerland); Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Station 12, CH-1015 Lausanne (Switzerland); Marzari, N. [Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Station 12, CH-1015 Lausanne (Switzerland)

2016-01-07

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.

Molecular dynamics simulation of liquid structure for undercooled Zr-Nb alloys assisted with electrostatic levitation experiments

Science.gov (United States)

Yang, S. J.; Hu, L.; Wang, L.; Wei, B.

2018-06-01

The liquid structures of undercooled Zr90Nb10, Zr70Nb30 and Zr50Nb50 alloys were studied by molecular dynamics simulation combined with electrostatic levitation experiments. The densities of three alloys were measured by electrostatic levitation to modify the Zr-Nb potential functions by adjusting parameters in potential functions. In simulation, the atomic packing in Zr-Nb alloys was more ordered at lower temperatures. The Voronoi tessellation analyses indicated Nb-centered clusters were easier to form than Zr-centered clusters although the Nb content was less than 50%. The partial pair distribution functions showed that the interactions among Zr atoms are quite different to that among Nb atoms.

An experimental study on anti-electrostatic gauge rulers

International Nuclear Information System (INIS)

Lou, Renjie; Dai, Liping; Sun, Hong

2013-01-01

The process of oil filling will produce electrostatic phenomena which may cause fire accidents. There were no reports about research on the danger of static electricity generation in the process of gauging operation to date. This paper presents an experiment on charge transferring quantity of gauge rulers, and calculates the charge transferring quantity of an anti-electrostatic gauge ruler and a metal one, respectively. The results indicate that the charge transferring quantity can be more than 0.1 μC for a metal gauge ruler, while it is less than 0.1 μC for an antistatic gauge ruler. Therefore, this experimental research proves that using an anti-electrostatic gauge ruler is safer than using a metal one. This study also provides some theoretical and experimental evidence for making anti-electrostatic gauge rulers.

Investigation of radial propagation of electrostatic fluctuations in the IR-T1 tokamak plasma edge

Energy Technology Data Exchange (ETDEWEB)

Shariatzadeh, R; Ghoranneviss, M; Salem, M K [Plasma Physics Research Center, Science and Research Branch, Islamic Azad University (IAU), PO Box 14665-678, Tehran (Iran, Islamic Republic of); Emami, M, E-mail: rezashariatzadeh@gmail.com [Laser and Optics Research School, NSTRI, AEOI, PO Box 14155-1339, Tehran (Iran, Islamic Republic of)

2011-01-15

The radial propagation of electrostatic fluctuation is considered extremely important for understanding cross-field anomalous transport. In this paper, two arrays of Langmuir probes are used to analyze electrostatic fluctuations in the edge of IR-T1 tokamak plasma in both the radial and the poloidal directions. The propagation characteristics of the floating potential fluctuations are analyzed by the two-point correlation technique. The wavenumber spectrum shows that there is a net radially outward propagation of turbulent fluctuations in the edge and scrape-off layer (SOL) regions. Hence, edge turbulence presumably originates from core fluctuations.

Investigation of radial propagation of electrostatic fluctuations in the IR-T1 tokamak plasma edge

International Nuclear Information System (INIS)

Shariatzadeh, R; Ghoranneviss, M; Salem, M K; Emami, M

2011-01-01

The radial propagation of electrostatic fluctuation is considered extremely important for understanding cross-field anomalous transport. In this paper, two arrays of Langmuir probes are used to analyze electrostatic fluctuations in the edge of IR-T1 tokamak plasma in both the radial and the poloidal directions. The propagation characteristics of the floating potential fluctuations are analyzed by the two-point correlation technique. The wavenumber spectrum shows that there is a net radially outward propagation of turbulent fluctuations in the edge and scrape-off layer (SOL) regions. Hence, edge turbulence presumably originates from core fluctuations.

Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins.

Science.gov (United States)

Gunner, M R; Baker, N A

2016-01-01

Proteins change their charge state through protonation and redox reactions as well as through binding charged ligands. The free energy of these reactions is dominated by solvation and electrostatic energies and modulated by protein conformational relaxation in response to the ionization state changes. Although computational methods for calculating these interactions can provide very powerful tools for predicting protein charge states, they include several critical approximations of which users should be aware. This chapter discusses the strengths, weaknesses, and approximations of popular computational methods for predicting charge states and understanding the underlying electrostatic interactions. The goal of this chapter is to inform users about applications and potential caveats of these methods as well as outline directions for future theoretical and computational research. © 2016 Elsevier Inc. All rights reserved.

Electrostatic Deposition of Large-Surface Graphene

Directory of Open Access Journals (Sweden)

Charles Trudeau

2018-01-01

Full Text Available This work describes a method for electrostatic deposition of graphene over a large area using controlled electrostatic exfoliation from a Highly Ordered Pyrolytic Graphite (HOPG block. Deposition over 130 × 130 µm2 with 96% coverage is achieved, which contrasts with sporadic micro-scale depositions of graphene with little control from previous works on electrostatic deposition. The deposition results are studied by Raman micro-spectroscopy and hyperspectral analysis using large fields of view to allow for the characterization of the whole deposition area. Results confirm that laser pre-patterning of the HOPG block prior to cleaving generates anchor points favoring a more homogeneous and defect-free HOPG surface, yielding larger and more uniform graphene depositions. We also demonstrate that a second patterning of the HOPG block just before exfoliation can yield features with precisely controlled geometries.

The influence of screening of the polyion electrostatic potential on the counterion dynamics in polyelectrolyte solutions

Science.gov (United States)

Schipper, F. J. M.; Hollander, J. G.; Leyte, J. C.

1998-10-01

The self-diffusion coefficient of tetra-methylammonium counterion in solutions of polymethacrylic acid in 0953-8984/10/41/004/img1 has been measured over a broad polyion concentration range at a constant degree of neutralization and at different ratios of added monovalent or bivalent salt to polyions. A maximum counterion self-diffusion coefficient was observed as a function of polyion concentration. The value of the self-diffusion coefficient at the maximum did not depend on the valency of the added salt. The maximum was found at lower polymer concentrations and with a higher value, when the ratio of added salt to polyions was increased, as predicted by the Poisson-Boltzmann-Smoluchowski equation in the cylindrical cell model for polyelectrolytes. At higher polyion concentrations a maximum counterion self-diffusion coefficient against the ratio of added salt and polyions was observed, which has not been reported before. Upon increasing this ratio the electrostatic potential of the polyelectrolyte gets screened, leading to an increase of the counterion self-diffusion coefficient. Concentration effects of the added salt on the other hand ultimately lead to a decrease of the counterion self-diffusion coefficient, which explains the occurrence of a maximum.

Resonant transformation of electrostatic energy in ExB field system

International Nuclear Information System (INIS)

Tanizuka, Noboru

1986-01-01

A theoretical consideration on an effective transformation of electrostatic potential energy is given. A transformator particle is introduced with the transformation in an ExB field system. A device constant of the system is introduced comparing with some empirical, practical examples and an experimental proof of the transformation is given. Finally a nuclear fusion device plan is proposed based on the idea of the consideration. (author)

Orientation of KRb molecules in a switched electrostatic field

International Nuclear Information System (INIS)

Huang Yun-Xia; Xu Shu-Wu; Yang Xiao-Hua

2013-01-01

We theoretically investigate the orientation of the cold KRb molecules induced in a switched electrostatic field by numerically solving the full time-dependent Schrödinger equation. The results show that the periodic field-free molecular orientation can be realized for the KRb molecules by rapidly switching off the electrostatic field. Meanwhile, by varying the switching times of the electrostatic field, the adiabatic and nonadiabatic interactions of the molecules with the applied field can be realized. Moreover, the influences of the electrostatic field strength and the rotational temperature to the degree of the molecular orientation are studied. The investigations show that increasing the electrostatic field will increase the degree of the molecular orientation, both in the constant-field regime and in the field-free regime, while the increasing of the rotational temperature of the cold molecules will greatly decrease the degree of the molecular orientation. (atomic and molecular physics)

Energy Balance in an Electrostatic Accelerator

OpenAIRE

Zolotorev, Max S.; McDonald, Kirk T.

2000-01-01

The principle of an electrostatic accelerator is that when a charge e escapes from a conducting plane that supports a uniform electric field of strength E_0, then the charge gains energy e E_0 d as it moves distance d from the plane. Where does this energy come from? We that the mechanical energy gain of the electron is balanced by the decrease in the electrostatic field energy of the system.

Embedding beyond electrostatics-The role of wave function confinement.

Science.gov (United States)

Nåbo, Lina J; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna; Solanko, Lukasz M; Wüstner, Daniel; Kongsted, Jacob

2016-09-14

We study excited states of cholesterol in solution and show that, in this specific case, solute wave-function confinement is the main effect of the solvent. This is rationalized on the basis of the polarizable density embedding scheme, which in addition to polarizable embedding includes non-electrostatic repulsion that effectively confines the solute wave function to its cavity. We illustrate how the inclusion of non-electrostatic repulsion results in a successful identification of the intense π → π(∗) transition, which was not possible using an embedding method that only includes electrostatics. This underlines the importance of non-electrostatic repulsion in quantum-mechanical embedding-based methods.

Competing processes of whistler and electrostatic instabilities in the magnetosphere

International Nuclear Information System (INIS)

Omura, Y.; Matsumoto, H.

1987-01-01

Competing processes of whistler mode and electrostatic mode instabilities induced by an electron beam are studied by a linear growth rate analysis and by an electromagnetic particle simulation. In addition to a background cold plasma we assumed an electron beam drifting along a static magnetic field. We studied excitation of whistler and electrostatic mode waves in the direction of the static magnetic field. We first calculated linear growth rates for the whistler mode and electrostatic mode instabilities, assuming various possible parameters in the equatorial magnetosphere. We found that the growth rate for the electrostatic instability is always larger than that of the whistler mode instability. A short simulation run with a monoenergetic electron beam demonstrates that a monoenergetic beam can hardly give energy to whistler mode waves as a result of competition with faster growing electrostatic waves, because the beam electrons are trapped and diffused by the electrostatic waves, and hence the growth rates for whistler mode waves become very small. A long simulation run starting with a warm electron beam demonstrates that whistler mode waves are excited in spite of the small growth rates and the coexisting quasi-linear electrostatic diffusion process

Influence of nanoparticle-membrane electrostatic interactions on membrane fluidity and bending elasticity.

Science.gov (United States)

Santhosh, Poornima Budime; Velikonja, Aljaž; Perutkova, Šarka; Gongadze, Ekaterina; Kulkarni, Mukta; Genova, Julia; Eleršič, Kristina; Iglič, Aleš; Kralj-Iglič, Veronika; Ulrih, Nataša Poklar

2014-02-01

The aim of this work is to investigate the effect of electrostatic interactions between the nanoparticles and the membrane lipids on altering the physical properties of the liposomal membrane such as fluidity and bending elasticity. For this purpose, we have used nanoparticles and lipids with different surface charges. Positively charged iron oxide (γ-Fe2O3) nanoparticles, neutral and negatively charged cobalt ferrite (CoFe2O4) nanoparticles were encapsulated in neutral lipid 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine and negatively charged 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine lipid mixture. Membrane fluidity was assessed through the anisotropy measurements using the fluorescent probe 1,6-diphenyl-1,3,5-hexatriene. Though the interaction of both the types of nanoparticles reduced the membrane fluidity, the results were more pronounced in the negatively charged liposomes encapsulated with positively charged iron oxide nanoparticles due to strong electrostatic attractions. X-ray photoelectron spectroscopy results also confirmed the presence of significant quantity of positively charged iron oxide nanoparticles in negatively charged liposomes. Through thermally induced shape fluctuation measurements of the giant liposomes, a considerable reduction in the bending elasticity modulus was observed for cobalt ferrite nanoparticles. The experimental results were supported by the simulation studies using modified Langevin-Poisson-Boltzmann model. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Attitude stabilization of a spacecraft equipped with large electrostatic protection screens

Science.gov (United States)

Nikitin, D. Yu.; Tikhonov, A. A.

2018-05-01

A satellite with a system of three electrostatic radiation protection (ERP) screens is under consideration. The screens are constructed as electrostatically charged toroidal shields with characteristic size of order equal to 100 m. The interaction of electric charge with the Earth's magnetic field (EMF) give rise to the Lorentz torque acting upon a satellite attitude motion. As the sizes of ERP system are large, we derive the Lorentz torque taking into account the complex form of ERP screens and gradient of the EMF in the screen volume. It is assumed that the satellite center of charge coincides with the satellite mass center. The EMF is modeled by the straight magnetic dipole. In the paper we investigate the usage of Lorentz torque for passive attitude stabilization for satellite in a circular equatorial orbit. Mathematical model for attitude dynamics of a satellite equipped with ERP interacting with the EMF is derived and first integral of corresponding differential equations is constructed. The straight equilibrium position of the satellite in the orbital frame is found. Sufficient conditions for stability of satellite equilibrium position are constructed with the use of the first integral. The gravity gradient torque is taken into account. The satellite equilibrium stability domain is constructed.

Role of Electrostatics in Protein-RNA Binding: The Global vs the Local Energy Landscape.

Science.gov (United States)

Ghaemi, Zhaleh; Guzman, Irisbel; Gnutt, David; Luthey-Schulten, Zaida; Gruebele, Martin

2017-09-14

U1A protein-stem loop 2 RNA association is a basic step in the assembly of the spliceosomal U1 small nuclear ribonucleoprotein. Long-range electrostatic interactions due to the positive charge of U1A are thought to provide high binding affinity for the negatively charged RNA. Short range interactions, such as hydrogen bonds and contacts between RNA bases and protein side chains, favor a specific binding site. Here, we propose that electrostatic interactions are as important as local contacts in biasing the protein-RNA energy landscape toward a specific binding site. We show by using molecular dynamics simulations that deletion of two long-range electrostatic interactions (K22Q and K50Q) leads to mutant-specific alternative RNA bound states. One of these states preserves short-range interactions with aromatic residues in the original binding site, while the other one does not. We test the computational prediction with experimental temperature-jump kinetics using a tryptophan probe in the U1A-RNA binding site. The two mutants show the distinct predicted kinetic behaviors. Thus, the stem loop 2 RNA has multiple binding sites on a rough RNA-protein binding landscape. We speculate that the rough protein-RNA binding landscape, when biased to different local minima by electrostatics, could be one way that protein-RNA interactions evolve toward new binding sites and novel function.

Some theoretical aspects of electrostatic double layers

International Nuclear Information System (INIS)

Carlqvist, P.

1978-11-01

A review is presented of the main results of the theoretical work on electrostatic double layers. The general properties of double layers are first considered. Then the time-independent double layer is discussed. The discussion deals with the potential drop, the thickness, and some necessary criteria for the existence and stability of the layer. As a complement to the study of the timeindependent double layer a few remarks are also made upon the timedependent double layer. Finally the question of how double layers are formed and maintained is treated. Several possible formation mechanisms are considered. (author)

Observations of a free-energy source for intense electrostatic waves. [in upper atmosphere near upper hybrid resonance frequency

Science.gov (United States)

Kurth, W. S.; Frank, L. A.; Gurnett, D. A.; Burek, B. G.; Ashour-Abdalla, M.

1980-01-01

Significant progress has been made in understanding intense electrostatic waves near the upper hybrid resonance frequency in terms of the theory of multiharmonic cyclotron emission using a classical loss-cone distribution function as a model. Recent observations by Hawkeye 1 and GEOS 1 have verified the existence of loss-cone distributions in association with the intense electrostatic wave events, however, other observations by Hawkeye and ISEE have indicated that loss cones are not always observable during the wave events, and in fact other forms of free energy may also be responsible for the instability. Now, for the first time, a positively sloped feature in the perpendicular distribution function has been uniquely identified with intense electrostatic wave activity. Correspondingly, we suggest that the theory is flexible under substantial modifications of the model distribution function.

Electrostatic septum, SPS

CERN Multimedia

CERN PhotoLab

1975-01-01

To minimize losses during slow extraction towards N- and W-Area, electrostatic septa in long straight sections 2 and 6 precede the magnetic septa. This picture is a detail of 7501199, and shows the suspension of the wires. 7801286 shows a septum in its tank. See also 7501120X.

Space-time electrostatic probing of low-pressure discharge lamps during the early stages of electrical breakdown

NARCIS (Netherlands)

Gendre, M.F.; Bowden, M.D.; Haverlag, M.; Nieuwenhuizen, van den H.C.M.; Gielen, J.W.A.M.; Kroesen, G.M.W.

2005-01-01

The lime and space evolution of the electrostatic potential of a low-pressure lamp is investigated during ignition with a special capacitive probe. Observations show that ionisation waves propagate back and forth in the lamp, coinciding with the displacement of a local region of strong potential

Orbital dynamics in a storage ring with electrostatic bending

International Nuclear Information System (INIS)

Mane, S.R.

2008-01-01

A storage ring where electrostatic fields contribute to the bending and focusing of the orbital motion has some novel features because, unlike a magnetostatic field, an electrostatic field can change the kinetic energy of the particles. I present analytical formulas to calculate the linear focusing gradient, dispersion, momentum compaction and natural chromaticity for a storage ring with a radial electrostatic field. I solve the formulas explicitly for a weak focusing model.

Electrostatic accelerators

OpenAIRE

Hinterberger, F

2006-01-01

The principle of electrostatic accelerators is presented. We consider Cockcroft– Walton, Van de Graaff and Tandem Van de Graaff accelerators. We resume high voltage generators such as cascade generators, Van de Graaff band generators, Pelletron generators, Laddertron generators and Dynamitron generators. The speci c features of accelerating tubes, ion optics and methods of voltage stabilization are described. We discuss the characteristic beam properties and the variety of possible beams. We ...

Acoustic effects of single electrostatic discharges

International Nuclear Information System (INIS)

Orzech, Łukasz

2015-01-01

Electric discharges, depending on their character, can emit different types of energy, resulting in different effects. Single electrostatic discharges besides generation of electromagnetic pulses are also the source of N acoustic waves. Their specified parameters depending on amount of discharging charge enable determination of value of released charge in a function of acoustic descriptor (e.g. acoustic pressure). Presented approach is the basics of acoustic method for measurement of single electrostatic discharges, enabling direct and contactless measurement of value of charge released during ESD. Method for measurement of acoustic effect of impact of a single electrostatic discharge on the environment in a form of pressure shock wave and examples of acoustic descriptors in a form of equation Q=f(p a ) are described. The properties of measuring system as well as the results of regression static analyses used to determine the described relationships are analysed in details. (paper)

Electrostatic X-ray image recording device with mesh-base photocathode photoelectron discriminator means

International Nuclear Information System (INIS)

1977-01-01

An electrostatic X-ray image recording device having a pair of spaced electrodes with a gas-filled gap therebetween, and including discrimination means, having a conductive mesh supporting a photocathodic material, positioned in the gas-filled gap between a first electrode having a layer of ultraviolet-emitting fluorescent material and a second electrode having a plastic sheet adjacent thereto for receiving photoelectrons emitted by the photocathodic material and accelerated to the second electrode by an applied field. The photoconductor-mesh element discriminates against fast electrons, produced by direct impingement of X-rays upon the photocathode to substantially reduce secondary electron production and amplification, thereby increasing both the signal-to-noise and contrast ratios. The electrostatic image formed on the plastic sheet is developed by zerographic techniques after exposure. (Auth.)

Electrostatically confined quantum rings in bilayer graphene.

Science.gov (United States)

Zarenia, M; Pereira, J M; Peeters, F M; Farias, G A

2009-12-01

We propose a new system where electron and hole states are electrostatically confined into a quantum ring in bilayer graphene. These structures can be created by tuning the gap of the graphene bilayer using nanostructured gates or by position-dependent doping. The energy levels have a magnetic field (B(0)) dependence that is strikingly distinct from that of usual semiconductor quantum rings. In particular, the eigenvalues are not invariant under a B(0) --> -B(0) transformation and, for a fixed total angular momentum index m, their field dependence is not parabolic, but displays two minima separated by a saddle point. The spectra also display several anticrossings, which arise due to the overlap of gate-confined and magnetically confined states.

Application of the finite-difference approximation to electrostatic problems in gaseous proportional counters

International Nuclear Information System (INIS)

Waligorski, M.P.R.; Urbanczyk, K.M.

1975-01-01

The basic principles of the finite-difference approximation applied to the solution of electrostatic field distributions in gaseous proportional counters are given. Using this method, complicated two-dimensional electrostatic problems may be solved, taking into account any number of anodes, each with its own radius, and any cathode shape. A general formula for introducing the anode radii into the calculations is derived and a method of obtaining extremely accurate (up to 0.1%) solutions is developed. Several examples of potential and absolute field distributions for single rectangular and multiwire proportional counters are calculated and compared with exact results according to Tomitani, in order to discuss in detail errors of the finite-difference approximation. (author)

Revised electrostatic model of the LISA Pathfinder inertial sensor

Energy Technology Data Exchange (ETDEWEB)

Brandt, Nico [Astrium GmbH, 88039 Friedrichshafen (Germany); Fichter, Walter, E-mail: nico.brandt@astrium.eads.ne [iFR, Universitaet Stuttgart, Pfaffenwaldring 7a, 70569 Stuttgart (Germany)

2009-03-01

A comprehensive electrostatic finite-element (FE) analysis of the LISA Pathfinder Inertial Sensor (IS) has been carried out at Astrium GmbH. Starting with a detailed geometrical model of the IS housing and test mass (TM) flight units, FE results were derived from multiple analyses runs applying the Maxwell 3D field simulation software. The electrostatic forces and torques on the TM in 6DoF, as well as all non-negligible capacitances between the TM, the 18 electrodes, and the housing, have been extracted for different TM translations and rotations. The results of the FE analyses were expected to confirm the existing IS electrostatic model predictions used for performance analysis, simulations, and on-board algorithms. Major discrepancies were found, however, between the results and the model used so far. In general, FE results give considerably larger capacitance values than the equivalent infinite non-parallel plate estimates. In contrast, the FE derived forces and torques are in general significantly lower compared to the analytic IS electrostatic model predictions. In this paper, these results are discussed in detail and the reasons for the deviations are elaborated. Based on these results, an adapted analytic IS electrostatic model is proposed that reflects the electrostatic forces, torques, and stiffness values in the LISA Pathfinder IS significantly more accurate.

Revised electrostatic model of the LISA Pathfinder inertial sensor

International Nuclear Information System (INIS)

Brandt, Nico; Fichter, Walter

2009-01-01

A comprehensive electrostatic finite-element (FE) analysis of the LISA Pathfinder Inertial Sensor (IS) has been carried out at Astrium GmbH. Starting with a detailed geometrical model of the IS housing and test mass (TM) flight units, FE results were derived from multiple analyses runs applying the Maxwell 3D field simulation software. The electrostatic forces and torques on the TM in 6DoF, as well as all non-negligible capacitances between the TM, the 18 electrodes, and the housing, have been extracted for different TM translations and rotations. The results of the FE analyses were expected to confirm the existing IS electrostatic model predictions used for performance analysis, simulations, and on-board algorithms. Major discrepancies were found, however, between the results and the model used so far. In general, FE results give considerably larger capacitance values than the equivalent infinite non-parallel plate estimates. In contrast, the FE derived forces and torques are in general significantly lower compared to the analytic IS electrostatic model predictions. In this paper, these results are discussed in detail and the reasons for the deviations are elaborated. Based on these results, an adapted analytic IS electrostatic model is proposed that reflects the electrostatic forces, torques, and stiffness values in the LISA Pathfinder IS significantly more accurate.

Development of Electrostatically Clean Solar Array Panels

Science.gov (United States)

Stern, Theodore G.

2000-01-01

Certain missions require Electrostatically Clean Solar Array (ECSA) panels to establish a favorable environment for the operation of sensitive scientific instruments. The objective of this program was to demonstrate the feasibility of an ECSA panel that minimizes panel surface potential below 100mV in LEO and GEO charged particle environments, prevents exposure of solar cell voltage and panel insulating surfaces to the ambient environment, and provides an equipotential, grounded structure surrounding the entire panel. An ECSA panel design was developed that uses a Front Side Aperture-Shield (FSA) that covers all inter-cell areas with a single graphite composite laminate, composite edge clips for connecting the FSA to the panel substrate, and built-in tabs that interconnect the FSA to conductive coated coverglasses using a conductive adhesive. Analysis indicated the ability of the design to meet the ECSA requirements. Qualification coupons and a 0.5m x 0.5m prototype panel were fabricated and tested for photovoltaic performance and electrical grounding before and after exposure to acoustic and thermal cycling environments. The results show the feasibility of achieving electrostatic cleanliness with a small penalty in mass, photovoltaic performance and cost, with a design is structurally robust and compatible with a wide range of current solar panel technologies.

Versatile electrostatic trap

NARCIS (Netherlands)

van Veldhoven, J.; Bethlem, H.L.; Schnell, M.; Meijer, G.

2006-01-01

A four electrode electrostatic trap geometry is demonstrated that can be used to combine a dipole, quadrupole, and hexapole field. A cold packet of ND315 molecules is confined in both a purely quadrupolar and hexapolar trapping field and additionally, a dipole field is added to a hexapole field to

Electrostatic atomization emdash Experiment, theory and industrial applications

International Nuclear Information System (INIS)

Okuda, H.; Kelly, A.J.

1996-01-01

Experimental and theoretical research has been initiated at the Princeton Plasma Physics Laboratory on the electrostatic atomization process in collaboration with Charged Injection Corporation. The goal of this collaboration is to set up a comprehensive research and development program on the electrostatic atomization at the Princeton Plasma Physics Laboratory so that both institutions can benefit from the collaboration. Experimental, theoretical and numerical simulation approaches are used for this purpose. An experiment consisting of a capillary sprayer combined with a quadrupole mass filter and a charge detector was installed at the Electrostatic Atomization Laboratory to study fundamental properties of the charged droplets such as the distribution of charges with respect to the droplet radius. In addition, a numerical simulation model is used to study interaction of beam electrons with atmospheric pressure water vapor, supporting an effort to develop an electrostatic water mist fire-fighting nozzle. copyright 1996 American Institute of Physics

TIARA electrostatic accelerator facility

International Nuclear Information System (INIS)

Tajima, Satoshi; Takada, Isao; Mizuhashi, Kiyoshi; Uno, Sadanori; Ohkoshi, Kiyonori; Nakajima, Yoshinori; Saitoh, Yuichi; Ishii, Yasuyuki; Kamiya, Tomihiro

1996-07-01

In order to promote the Advanced Radiation Technology Project, Japan Atomic Energy Research Institute constructed TIARA facility composed of four ion accelerators at Takasaki Radiation Chemistry Research Establishment for the period from 1988 to 1993. A 3MV tandem accelerator and an AVF cycrotron were completed in 1991 as the first phase of the construction, and a 3MV single-ended accelerator and a 400kV ion implanter were completed in 1993 as the second phase. Three electrostatic accelerators, the tandem, the single-ended and the implanter, were installed in the Multiple-beam facility of TIARA and have been operated for various experiments with using single, dual and triple beams without any serious trouble. This report describes the constructive works, machine performances, control systems, safety systems and accessory equipments of the electrostatic accelerators. (author)

IAE pulsed electrostatic accelerator

International Nuclear Information System (INIS)

Afanas'ev, V.P.; Ganzhelyuk, M.L.; Kozlov, L.D.; Koltypin, E.A.; Molchanov, Yu.D.; Otroshchenko, G.A.; Yan'kov, G.B.

1976-01-01

The modernized pulse electrostatic accelerator using the klystron ion grouping and the beam interruption system prior to acceleration is described. The accelerator is modernized in order to improve parameters of a current pulse and to decrease the background in the measurement room. The ion beam of needed dimensions is obtained with the help of a high-frequency source and a beam grouping and deflection system. The general view of the beam grouping and deflection system is shown. The ion beam forming process is considered in detail. The modernized electrostatic accelerator permits to obtain a pulse current with a pulse length of 1.5 ns and an amplitude of 1.5 - 2 μA. With the repetition frequency of 2 MHz, the average target current is about 6 μA

Web servers and services for electrostatics calculations with APBS and PDB2PQR

Science.gov (United States)

Unni, Samir; Huang, Yong; Hanson, Robert; Tobias, Malcolm; Krishnan, Sriram; Li, Wilfred W.; Nielsen, Jens E.; Baker, Nathan A.

2011-01-01

APBS and PDB2PQR are widely utilized free software packages for biomolecular electrostatics calculations. Using the Opal toolkit, we have developed a Web services framework for these software packages that enables the use of APBS and PDB2PQR by users who do not have local access to the necessary amount of computational capabilities. This not only increases accessibility of the software to a wider range of scientists, educators, and students but it also increases the availability of electrostatics calculations on portable computing platforms. Users can access this new functionality in two ways. First, an Opal-enabled version of APBS is provided in current distributions, available freely on the web. Second, we have extended the PDB2PQR web server to provide an interface for the setup, execution, and visualization electrostatics potentials as calculated by APBS. This web interface also uses the Opal framework which ensures the scalability needed to support the large APBS user community. Both of these resources are available from the APBS/PDB2PQR website: http://www.poissonboltzmann.org/. PMID:21425296

Review on the Modeling of Electrostatic MEMS

Directory of Open Access Journals (Sweden)

Wan-Chun Chuang

2010-06-01

Full Text Available Electrostatic-driven microelectromechanical systems devices, in most cases, consist of couplings of such energy domains as electromechanics, optical electricity, thermoelectricity, and electromagnetism. Their nonlinear working state makes their analysis complex and complicated. This article introduces the physical model of pull-in voltage, dynamic characteristic analysis, air damping effect, reliability, numerical modeling method, and application of electrostatic-driven MEMS devices.

Preliminary tests of the electrostatic plasma accelerator

Science.gov (United States)

Aston, G.; Acker, T.

1990-01-01

This report describes the results of a program to verify an electrostatic plasma acceleration concept and to identify those parameters most important in optimizing an Electrostatic Plasma Accelerator (EPA) thruster based upon this thrust mechanism. Preliminary performance measurements of thrust, specific impulse and efficiency were obtained using a unique plasma exhaust momentum probe. Reliable EPA thruster operation was achieved using one power supply.

Electrostatic Screening and Charge Correlation Effects in Micellization of Ionic Surfactants

KAUST Repository

Jusufi, Arben

2009-05-07

We have used atomistic simulations to study the role of electrostatic screening and charge correlation effects in self-assembly processes of ionic surfactants into micelles. Specifically, we employed grand canonical Monte Carlo simulations to investigate the critical micelle concentration (cmc), aggregation number, and micellar shape in the presence of explicit sodium chloride (NaCl). The two systems investigated are cationic dodecyltrimethylammonium chloride (DTAC) and anionic sodium dodecyl sulfate (SDS) surfactants. Our explicit-salt results, obtained from a previously developed potential model with no further adjustment of its parameters, are in good agreement with experimental data for structural and thermodynamic micellar properties. We illustrate the importance of ion correlation effects by comparing these results with a Yukawa-type surfactant model that incorporates electrostatic screening implicitly. While the effect of salt on the cmc is well-reproduced even with the implicit Yukawa model, the aggregate size predictions deviate significantly from experimental observations at low salt concentrations. We attribute this discrepancy to the neglect of ion correlations in the implicit-salt model. At higher salt concentrations, we find reasonable agreement of the Yukawa model with experimental data. The crossover from low to high salt concentrations is reached when the electrostatic screening length becomes comparable to the headgroup size. © 2009 American Chemical Society.

A Novel Electrostatic/Microstructured Adhesive with Dust Mitigation Capabilities

Data.gov (United States)

National Aeronautics and Space Administration — This work will develop a novel electrostatic/gecko-like adhesive that will demonstrate an order-of-magnitude improvement of electrostatic adhesion pressure coupled...

A study on the performance of an electrostatic focusing mirror for Rydberg positronium

Science.gov (United States)

Jones, Adric C. L.; Cecchini, Gabriel G.; Moxom, Jeremy; Osorno, Kevin; Rutbeck-Goldman, Harris J.; Fuentes-Garcia, Melina; Greaves, Rod G.; Adams, Daniel J.; Tom, Harry W. K.; Mills, Allen P., Jr.

2018-01-01

Recently, we demonstrated an electrostatic mirror that focuses a beam of Rydberg positronium atoms over a 6 m path to a 32 ± 1 mm FWHM diameter spot on a position sensitive detector. The mirror is comprised of 360 wires arranged in the shape of a nearly-cylindrical revolved truncated ellipse 96 mm in radius, with potentials of equal and opposite magnitude applied to alternating wires to create a short-ranged electric field that decreases in magnitude exponentially with e-folding length = 0.53 mm. Here, we explore in detail the observed resolution and discuss the factors contributing to its broadening from the ideal point focus of a perfect embodiment of the mirror. Improvements to the design are considered, with the aim to achieve a mirror with a resolution of <0.5 mm, which is necessary for a proposed measurement of the gravitational deflection of positronium.

Loop electrostatics modulates the intersubunit interactions in ferritin.

Science.gov (United States)

Bernacchioni, Caterina; Ghini, Veronica; Pozzi, Cecilia; Di Pisa, Flavio; Theil, Elizabeth C; Turano, Paola

2014-11-21

Functional ferritins are 24-mer nanocages that self-assemble with extended contacts between pairs of 4-helix bundle subunits coupled in an antiparallel fashion along the C2 axes. The largest intersubunit interaction surface in the ferritin nanocage involves helices, but contacts also occur between groups of three residues midway in the long, solvent-exposed L-loops of facing subunits. The anchor points between intersubunit L-loop pairs are the salt bridges between the symmetry-related, conserved residues Asp80 and Lys82. The resulting quaternary structure of the cage is highly soluble and thermostable. Substitution of negatively charged Asp80 with a positively charged Lys in homopolymeric M ferritin introduces electrostatic repulsions that inhibit the oligomerization of the ferritin subunits. D80K ferritin was present in inclusion bodies under standard overexpressing conditions in E. coli, contrasting with the wild type protein. Small amounts of fully functional D80K nanocages formed when expression was slowed. The more positively charged surface results in a different solubility profile and D80K crystallized in a crystal form with a low density packing. The 3D structure of D80K variant is the same as wild type except for the side chain orientations of Lys80 and facing Lys82. When three contiguous Lys groups are introduced in D80KI81K ferritin variant the nanocage assembly is further inhibited leading to lower solubility and reduced thermal stability. Here, we demonstrate that the electrostatic pairing at the center of the L-loops has a specific kinetic role in the self-assembly of ferritin nanocages.

The role of electrostatics in protein-protein interactions of a monoclonal antibody.

Science.gov (United States)

Roberts, D; Keeling, R; Tracka, M; van der Walle, C F; Uddin, S; Warwicker, J; Curtis, R

2014-07-07

Understanding how protein-protein interactions depend on the choice of buffer, salt, ionic strength, and pH is needed to have better control over protein solution behavior. Here, we have characterized the pH and ionic strength dependence of protein-protein interactions in terms of an interaction parameter kD obtained from dynamic light scattering and the osmotic second virial coefficient B22 measured by static light scattering. A simplified protein-protein interaction model based on a Baxter adhesive potential and an electric double layer force is used to separate out the contributions of longer-ranged electrostatic interactions from short-ranged attractive forces. The ionic strength dependence of protein-protein interactions for solutions at pH 6.5 and below can be accurately captured using a Deryaguin-Landau-Verwey-Overbeek (DLVO) potential to describe the double layer forces. In solutions at pH 9, attractive electrostatics occur over the ionic strength range of 5-275 mM. At intermediate pH values (7.25 to 8.5), there is a crossover effect characterized by a nonmonotonic ionic strength dependence of protein-protein interactions, which can be rationalized by the competing effects of long-ranged repulsive double layer forces at low ionic strength and a shorter ranged electrostatic attraction, which dominates above a critical ionic strength. The change of interactions from repulsive to attractive indicates a concomitant change in the angular dependence of protein-protein interaction from isotropic to anisotropic. In the second part of the paper, we show how the Baxter adhesive potential can be used to predict values of kD from fitting to B22 measurements, thus providing a molecular basis for the linear correlation between the two protein-protein interaction parameters.

Charge sniffer for electrostatics demonstrations

Science.gov (United States)

Dinca, Mihai P.

2011-02-01

An electronic electroscope with a special design for demonstrations and experiments on static electricity is described. It operates as an electric charge sniffer by detecting slightly charged objects when they are brought to the front of its sensing electrode. The sniffer has the advantage of combining high directional sensitivity with a logarithmic bar display. It allows for the identification of electric charge polarity during charge separation by friction, peeling, electrostatic induction, batteries, or secondary coils of power transformers. Other experiments in electrostatics, such as observing the electric field of an oscillating dipole and the distance dependence of the electric field generated by simple charge configurations, are also described.

Efficient optimization of electrostatic interactions between biomolecules.

Energy Technology Data Exchange (ETDEWEB)

Bardhan, J. P.; Altman, M. D.; White, J. K.; Tidor, B.; Mathematics and Computer Science; MIT

2007-01-01

We present a PDE-constrained approach to optimizing the electrostatic interactions between two biomolecules. These interactions play important roles in the determination of binding affinity and specificity, and are therefore of significant interest when designing a ligand molecule to bind tightly to a receptor. Using a popular continuum model and physically reasonable assumptions, the electrostatic component of the binding free energy is a convex, quadratic function of the ligand charge distribution. Traditional optimization methods require exhaustive pre-computation, and the expense has precluded a full exploration of the promise of electrostatic optimization in biomolecule analysis and design. In this paper we describe an approach in which the electrostatic simulations and optimization problem are solved simultaneously; unlike many PDE- constrained optimization frameworks, the proposed method does not incorporate the PDE as a set of equality constraints. This co-optimization approach can be used by itself to solve unconstrained problems or those with linear equality constraints, or in conjunction with primal-dual interior point methods to solve problems with inequality constraints. Model problems demonstrate that the co-optimization method is computationally efficient and can be used to solve realistic problems.

Electrostatic force microscopy on oriented graphite surfaces: coexistence of insulating and conducting behaviors.

Science.gov (United States)

Lu, Yonghua; Muñoz, M; Steplecaru, C S; Hao, Cheng; Bai, Ming; Garcia, N; Schindler, K; Esquinazi, P

2006-08-18

We present measurements of the electric potential fluctuations on the surface of highly oriented pyrolytic graphite using electrostatic force and atomic force microscopy. Micrometric domainlike potential distributions are observed even when the sample is grounded. Such potential distributions are unexpected given the good metallic conductivity of graphite because the surface should be an equipotential. Our results indicate the coexistence of regions with "metalliclike" and "insulatinglike" behaviors showing large potential fluctuations of the order of 0.25 V. In lower quality graphite, this effect is not observed. Experiments are performed in Ar and air atmospheres.

Waferscale Electrostatic Quadrupole Array for Multiple Ion Beam Manipulation

OpenAIRE

Vinayakumar, K. B.; Persaud, A.; Seidl, P. A.; Ji, Q.; Waldron, W. L.; Schenkel, T.; Ardanuc, S.; Lal, A.

2018-01-01

We report on the first through-wafer silicon-based Electrostatic Quadrupole Array (ESQA) to focus high energy ion beams. This device is a key enabler for a wafer based accelerator architecture that lends itself to orders-of-magnitude reduction in cost, volume and weight of charged particle accelerators. ESQs are a key building block in developing compact Multiple Electrostatic Quadrupole Array Linear Accelerator (MEQALAC) [1]. In a MEQALAC electrostatic forces are used to focus ions, and elec...

Unravelling merging behaviors and electrostatic properties of CVD-grown monolayer MoS2 domains

International Nuclear Information System (INIS)

Hao, Song; Yang, Bingchu; Gao, Yongli

2016-01-01

The presence of grain boundaries is inevitable for chemical vapor deposition (CVD)-grown MoS 2 domains owing to various merging behaviors, which greatly limits its potential applications in novel electronic and optoelectronic devices. It is therefore of great significance to unravel the merging behaviors of the synthesized polygon shape MoS 2 domains. Here we provide systematic investigations of merging behaviors and electrostatic properties of CVD-grown polycrystalline MoS 2 crystals by multiple means. Morphological results exhibit various polygon shape features, ascribed to polycrystalline crystals merged with triangle shape MoS 2 single crystals. The thickness of triangle and polygon shape MoS 2 crystals is identical manifested by Raman intensity and peak position mappings. Three merging behaviors are proposed to illustrate the formation mechanisms of observed various polygon shaped MoS 2 crystals. The combined photoemission electron microscopy and kelvin probe force microscopy results reveal that the surface potential of perfect merged crystals is identical, which has an important implication for fabricating MoS 2 -based devices.

Electrostatic Power Generation from Negatively Charged, Simulated Lunar Regolith

Science.gov (United States)

Choi, Sang H.; King, Glen C.; Kim, Hyun-Jung; Park, Yeonjoon

2010-01-01

Research was conducted to develop an electrostatic power generator for future lunar missions that facilitate the utilization of lunar resources. The lunar surface is known to be negatively charged from the constant bombardment of electrons and protons from the solar wind. The resulting negative electrostatic charge on the dust particles, in the lunar vacuum, causes them to repel each other minimizing the potential. The result is a layer of suspended dust about one meter above the lunar surface. This phenomenon was observed by both Clementine and Surveyor spacecrafts. During the Apollo 17 lunar landing, the charged dust was a major hindrance, as it was attracted to the astronauts' spacesuits, equipment, and the lunar buggies. The dust accumulated on the spacesuits caused reduced visibility for the astronauts, and was unavoidably transported inside the spacecraft where it caused breathing irritation [1]. In the lunar vacuum, the maximum charge on the particles can be extremely high. An article in the journal "Nature", titled "Moon too static for astronauts?" (Feb 2, 2007) estimates that the lunar surface is charged with up to several thousand volts [2]. The electrostatic power generator was devised to alleviate the hazardous effects of negatively charged lunar soil by neutralizing the charged particles through capacitive coupling and thereby simultaneously harnessing power through electric charging [3]. The amount of power generated or collected is dependent on the areal coverage of the device and hovering speed over the lunar soil surface. A thin-film array of capacitors can be continuously charged and sequentially discharged using a time-differentiated trigger discharge process to produce a pulse train of discharge for DC mode output. By controlling the pulse interval, the DC mode power can be modulated for powering devices and equipment. In conjunction with a power storage system, the electrostatic power generator can be a power source for a lunar rover or other

Factors affecting the electrostatic charge of ceramic powders

International Nuclear Information System (INIS)

Lorite, I.; Romero, J.; Fernandez, J. F.

2011-01-01

The phenomenon of electrostatic charge in ceramic powders takes place when the particle surfaces enter in contact between them or with the containers. The accumulation of electrostatic charge is of relevance in ceramic powders in view of their insulating character and the risk of explosions during the material handling. In this work the main factors that affect the appearance of intrinsic charge and tribo-charge in ceramic powder have been studied. In ceramic powders of alumina it has been verified that the smallest particle sizes present an increase of the electrostatic charge of negative polarity. A correlation has been observed between the nature of the OH -surface groups and the electrostatic charge. The intrinsic charge and the tribocharge in ceramic powders can be diminished by compensating the surface groups that support the charge. The dry dispersion of nanoparticles on microparticles allows surface charge compensation with a noticeable modification of the powder agglomeration. (Author) 19 refs.

A versatile electrostatic trap with open optical access

Science.gov (United States)

Li, Sheng-Qiang; Yin, Jian-Ping

2018-04-01

A versatile electrostatic trap with open optical access for cold polar molecules in weak-field-seeking state is proposed in this paper. The trap is composed of a pair of disk electrodes and a hexapole. With the help of a finite element software, the spatial distribution of the electrostatic field is calculated. The results indicate that a three-dimensional closed electrostatic trap is formed. Taking ND3 molecules as an example, the dynamic process of loading and trapping is simulated. The results show that when the velocity of the molecular beam is 10 m/s and the loading time is 0.9964 ms, the maximum loading efficiency reaches 94.25% and the temperature of the trapped molecules reaches about 30.3 mK. A single well can be split into two wells, which is of significant importance to the precision measurement and interference of matter waves. This scheme, in addition, can be further miniaturized to construct one-dimensional, two-dimensional, and three-dimensional spatial electrostatic lattices.

Nonlinear Electrostatic Wave Equations for Magnetized Plasmas

DEFF Research Database (Denmark)

Dysthe, K.B.; Mjølhus, E.; Pécseli, Hans

1984-01-01

The lowest order kinetic effects are included in the equations for nonlinear electrostatic electron waves in a magnetized plasma. The modifications of the authors' previous analysis based on a fluid model are discussed.......The lowest order kinetic effects are included in the equations for nonlinear electrostatic electron waves in a magnetized plasma. The modifications of the authors' previous analysis based on a fluid model are discussed....

Nonlinear Dynamics of Carbon Nanotubes Under Large Electrostatic Force

KAUST Repository

Xu, Tiantian; Younis, Mohammad I.

2015-01-01

Because of the inherent nonlinearities involving the behavior of CNTs when excited by electrostatic forces, modeling and simulating their behavior is challenging. The complicated form of the electrostatic force describing the interaction

Electrostatic Transport and Manipulation of Lunar Soil and Dust

International Nuclear Information System (INIS)

Kawamoto, Hiroyuki

2008-01-01

Transport and manipulation technologies of lunar soil and dust are under development utilizing the electrostatic force. Transport of particles is realized by an electrostatic conveyer consisting of parallel electrodes. Four-phase traveling electrostatic wave was applied to the electrodes to transport particles upon the conveyer and it was demonstrated that particles were efficiently transported under conditions of low frequency, high voltage, and the application of rectangular wave. Not only linear but also curved and closed transport was demonstrated. Numerical investigation was carried out with a three-dimensional hard-sphere model of the Distinct Element Method to clarify the mechanism of the transport and to predict performances in the lunar environment. This technology is expected to be utilized not only for the transport of bulk soil but also for the cleaning of a solar panel and an optical lens. Another technology is an electrostatic manipulation system to manipulate single particle. A manipulator consisted of two parallel pin electrodes. When voltage was applied between the electrodes, electrophoresis force generated in non-uniform electrostatic field was applied to the particle near the tip of the electrode. The particle was captured by the application of the voltage and released from the manipulator by turning off the voltage. It was possible to manipulate not only insulative but also conductive particles. Three-dimensional electrostatic field calculation was conducted to calculate the electrophoresis force and the Coulomb force

Electrostatic turbulence with finite parallel correlation length and radial electric field generation

International Nuclear Information System (INIS)

Vlad, M.; Spineanu, F.; Misguich, J.H.; Balescu, R.

2001-01-01

Particle diffusion in a given electrostatic turbulence with a finite correlation length along the confining magnetic field is studied in the test particle approach. An anomalous diffusion regime of amplified diffusion coefficients is found in the conditions when particle trapping in the structure of the stochastic potential is effective. The auto-generated radial electric field is calculated. (author)

Field distribution in a coaxial electrostatic wiggler

Directory of Open Access Journals (Sweden)

Shi-Chang Zhang

2010-09-01

Full Text Available The field distribution in a coaxial electrostatic wiggler corresponds to the special solution of a Laplace equation in a cylindrical coordinate system with a boundary value problem of sinusoidal ripples. This paper is devoted to the physical and mathematical treatment for an analytical solution of the field distribution in the coaxial electrostatic wiggler. The explicit expression of the solution indicates that the field distribution in the coaxial electrostatic wiggler varies according to a periodic function in the longitudinal direction, and is related to the first and second kinds of modified Bessel functions in the radial direction, respectively. Comparison shows excellent agreement between the analytical formula and the computer simulation technology (CST results. The physical application of the considered system and its analytical solution are discussed.

Engineering Design of Electrostatic Quadrupole for ISOL Beam Lines

International Nuclear Information System (INIS)

Kim, H. S.; Kwon, H. J.; Cho, Y. S.

2014-01-01

In the ISOL system, the RI beam should be transported from the target ion source to post accelerator through various analyzing and charge-breeding systems such as PS (pre-seperator), HRMS (High Resolution Mass Seperator), RF cooler and A/q separator. A reference particle for the beam dynamics calculation is 132 Sn 1+ . After charge breeder system, the charge state is boosted from +1 to +19 with ECR charge breeder and to +33 with EBIS charge breeder. Because the beam energy is as low as 50 keV, the electrostatic optics was adopted rather than the magnetic optics. The electrostatic quadrupole triplets were used for the beam focusing and the electrostatic bender is used for 90-degree bending. In this paper, the design procedure and engineering design of the electrostatic quadrupole are presented

Proton-beam writing channel based on an electrostatic accelerator

Science.gov (United States)

Lapin, A. S.; Rebrov, V. A.; Kolin'ko, S. V.; Salivon, V. F.; Ponomarev, A. G.

2016-09-01

We have described the structure of the proton-beam writing channel as a continuation of a nuclear scanning microprobe channel. The problem of the accuracy of positioning a probe by constructing a new high-frequency electrostatic scanning system has been solved. Special attention has been paid to designing the probe-forming system and its various configurations have been considered. The probe-forming system that best corresponds to the conditions of the lithographic process has been found based on solving the problem of optimizing proton beam formation. A system for controlling beam scanning using multifunctional module of integrated programmable logic systems has been developed.

Ion-Beam-Excited Electrostatic Ion Cyclotron Waves

DEFF Research Database (Denmark)

Michelsen, Poul; Pécseli, Hans; Juul Rasmussen, Jens

1976-01-01

Self-excited electrostatic ion cyclotron waves were observed in an ion-beam-plasma system produced in a DP-operated Q-machine. The frequency of the waves showed the theoretically predicted variation with the magnetic field.......Self-excited electrostatic ion cyclotron waves were observed in an ion-beam-plasma system produced in a DP-operated Q-machine. The frequency of the waves showed the theoretically predicted variation with the magnetic field....

Electrostatic shielding of transformers

Energy Technology Data Exchange (ETDEWEB)

De Leon, Francisco

2017-11-28

Toroidal transformers are currently used only in low-voltage applications. There is no published experience for toroidal transformer design at distribution-level voltages. Toroidal transformers are provided with electrostatic shielding to make possible high voltage applications and withstand the impulse test.

Frontier applications of electrostatic accelerators

Science.gov (United States)

Liu, Ke-Xin; Wang, Yu-Gang; Fan, Tie-Shuan; Zhang, Guo-Hui; Chen, Jia-Er

2013-10-01

Electrostatic accelerator is a powerful tool in many research fields, such as nuclear physics, radiation biology, material science, archaeology and earth sciences. Two electrostatic accelerators, one is the single stage Van de Graaff with terminal voltage of 4.5 MV and another one is the EN tandem with terminal voltage of 6 MV, were installed in 1980s and had been put into operation since the early 1990s at the Institute of Heavy Ion Physics. Many applications have been carried out since then. These two accelerators are described and summaries of the most important applications on neutron physics and technology, radiation biology and material science, as well as accelerator mass spectrometry (AMS) are presented.

Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion

International Nuclear Information System (INIS)

Bereau, Tristan; Lilienfeld, O. Anatole von

2014-01-01

We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine—intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlight the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple 1/R 6 correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol

Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion

Energy Technology Data Exchange (ETDEWEB)

Bereau, Tristan, E-mail: bereau@mpip-mainz.mpg.de [Max-Planck-Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany and Department of Chemistry, University of Basel, 4056 Basel (Switzerland); Lilienfeld, O. Anatole von [Department of Chemistry, Institute of Physical Chemistry, University of Basel, 4056 Basel, Switzerland and Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2014-07-21

We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine—intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlight the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple 1/R{sup 6} correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol.

Fabrication and characterization of an electrostatic contraction beams micromotor

NARCIS (Netherlands)

Sarajlic, Edin; Berenschot, Johan W.; Tas, Niels Roelof; Fujita, H.; Krijnen, Gijsbertus J.M.; Elwenspoek, Michael Curt

2006-01-01

We report on fabrication and experimental characterization of an electrostatic contraction beams motor that exhibits both reliable operation and high performance haracteristics. This electrostatic linear stepper micromotor is fabricated in a single polysilicon layer combining vertical trench

Electrostatic mode coupling at 2ω/sub UH/: a generation mechanism for auroral kilometric radiation

International Nuclear Information System (INIS)

Barbosa, D.D.

1976-01-01

The instability of a low density, electron beam drifting along a magnetic field to nearly perpendicular propagating electrostatic waves near the upper hybrid frequency is investigated for application to an auroral environment. It was found that 4 to 10 KeV beams can interact significantly with the background plasma through anomalous cyclotron resonances which extend the range of unstable parallel wave numbers over a large region of wave number space. This region can include a nonconvective hot spot where the group velocity of the unstable waves approaches zero. Positive slope in the total distribution function is not a necessary requirement for instability; the broken symmetry along the field can allow the transfer of beam drift energy to electrostatic wave turbulence. Using Gurnett's (1974) polar ionospheric model for a representative auroral field line modeled as dipolar (L = 8), one infers that certain heights favor generation of enhanced, beamdriven electrostatic turbulence. Those regions are in the vicinity of where ω/sub UH//Ω/sub c/ approx. 3/2 with an excursion from this value depending on beam parameters. We speculate that electrostatic turbulence will heat the background electrons to a limiting temperature such that the instability becomes marginally effective. This limiting temperature is estimated for auroral beam-plasma conditions as 1 to 6 eV. Quasi-linear beam moment equations are developed to compute an upper bound to electrostatic wave amplitudes that can be maintained by the beam. We find that energy densities approaching E 2 /8πnT approx. 1 over auroral scale lengths can result in effective energy transfer from the beam to the plasma

Gender moderates valence effects on the late positive potential to emotional distracters

OpenAIRE

Syrjänen, Elmeri

2013-01-01

Attention is captured more strongly by emotional pictures than by neutral pictures. This allocation of attention to emotional pictures is commonly indexed by the late positive potential (LPP), an event-related potential (ERP) that is larger for negative and positive pictures than for neutral pictures. However, findings are mixed in regards to valence effects, that is, whether the LPP is larger for negative pictures than for positive pictures (negativity bias) or vice versa (positivity bias). ...

NONLINEAR DYNAMICS OF CARBON NANOTUBES UNDER LARGE ELECTROSTATIC FORCE

KAUST Repository

Xu, Tiantian

2015-06-01

Because of the inherent nonlinearities involving the behavior of CNTs when excited by electrostatic forces, modeling and simulating their behavior is challenging. The complicated form of the electrostatic force describing the interaction of their cylindrical shape, forming upper electrodes, to lower electrodes poises serious computational challenges. This presents an obstacle against applying and using several nonlinear dynamics tools typically used to analyze the behavior of complicated nonlinear systems undergoing large motion, such as shooting, continuation, and integrity analysis techniques. This works presents an attempt to resolve this issue. We present an investigation of the nonlinear dynamics of carbon nanotubes when actuated by large electrostatic forces. We study expanding the complicated form of the electrostatic force into enough number of terms of the Taylor series. Then, we utilize this form along with an Euler-Bernoulli beam model to study for the first time the dynamic behavior of CNTs when excited by large electrostatic force. The geometric nonlinearity and the nonlinear electrostatic force are considered. An efficient reduced-order model (ROM) based on the Galerkin method is developed and utilized to simulate the static and dynamic responses of the CNTs. Several results are generated demonstrating softening and hardening behavior of the CNTs near their primary and secondary resonances. The effects of the DC and AC voltage loads on the behavior have been studied. The impacts of the initial slack level and CNT diameter are also demonstrated.

Nonlinear Dynamics of Carbon Nanotubes Under Large Electrostatic Force

KAUST Repository

Xu, Tiantian

2015-06-01

Because of the inherent nonlinearities involving the behavior of CNTs when excited by electrostatic forces, modeling and simulating their behavior is challenging. The complicated form of the electrostatic force describing the interaction of their cylindrical shape, forming upper electrodes, to lower electrodes poises serious computational challenges. This presents an obstacle against applying and using several nonlinear dynamics tools typically used to analyze the behavior of complicated nonlinear systems undergoing large motion, such as shooting, continuation, and integrity analysis techniques. This works presents an attempt to resolve this issue. We present an investigation of the nonlinear dynamics of carbon nanotubes when actuated by large electrostatic forces. We study expanding the complicated form of the electrostatic force into enough number of terms of the Taylor series. Then, we utilize this form along with an Euler-Bernoulli beam model to study for the first time the dynamic behavior of CNTs when excited by large electrostatic force. The geometric nonlinearity and the nonlinear electrostatic force are considered. An efficient reduced-order model (ROM) based on the Galerkin method is developed and utilized to simulate the static and dynamic responses of the CNTs. Several results are generated demonstrating softening and hardening behavior of the CNTs near their primary and secondary resonances. The effects of the DC and AC voltage loads on the behavior have been studied. The impacts of the initial slack level and CNT diameter are also demonstrated.

Electromechanical coupling in electrostatic micro-power generators

International Nuclear Information System (INIS)

Mahmoud, M A E; El-Saadany, E F; Mansour, R R; Abdel-Rahman, E M

2010-01-01

Electrostatic micro-power generators (MPGs) are modeled and analyzed with particular emphasis on electromechanical coupling and its impact on the system dynamics. We identify two qualitatively different regimes in the MPG response, dubbed slow and fast. A linearized electromechanically coupled model of an electrostatic MPG and two simplified linear models are used to study the response of the MPG. Linear models are found adequate to represent the dynamic response of fast MPGs but inadequate to represent the response of slow and mixed domain MPGs. A nonlinear model is developed and validated to describe the response of those MPGs under moderately large excitations. On the basis of this analysis, we describe a method and provide design rules for realizing wideband electrostatic MPGs, and develop closed-form formulae for the extracted power for MPGs under moderately large excitations

Creation of Magnetic Fields by Electrostatic and Thermal Fluctuations

International Nuclear Information System (INIS)

Saleem, Hamid

2009-01-01

It is pointed out that the electrostatic and thermal fluctuations are the main source of magnetic fields in unmagnetized inhomogeneous plasmas. The unmagnetized inhomogeneous plasmas can support a low frequency electromagnetic ion wave as a normal mode like Alfven wave of magnetized plasmas. But this is a coupled mode produced by the mixing of longitudinal and transverse components of perturbed electric field due to density inhomogeneity. The ion acoustic wave does not remain electrostatic in non-uniform plasmas. On the other hand, a low frequency electrostatic wave can also exist in the pure electron plasmas and it couples with ion acoustic wave when ions are dynamic. These waves can become unstable when density and temperature gradients are parallel to each other as can be the case of laser plasmas and is the common situation in stellar cores. The main instability condition for the electrostatic and electromagnetic modes is the same (2/3)κ n T (where κ n and κ T are inverse of the scale lengths of gradients of density and electron temperature, respectively). This indicates that the electrostatic and magnetic field fluctuations are strongly coupled in unmagnetized nonuniform plasmas.

Long-pore Electrostatics in Inward-rectifier Potassium Channels

Science.gov (United States)

Robertson, Janice L.; Palmer, Lawrence G.; Roux, Benoît

2008-01-01

Inward-rectifier potassium (Kir) channels differ from the canonical K+ channel structure in that they possess a long extended pore (∼85 Å) for ion conduction that reaches deeply into the cytoplasm. This unique structural feature is presumably involved in regulating functional properties specific to Kir channels, such as conductance, rectification block, and ligand-dependent gating. To elucidate the underpinnings of these functional roles, we examine the electrostatics of an ion along this extended pore. Homology models are constructed based on the open-state model of KirBac1.1 for four mammalian Kir channels: Kir1.1/ROMK, Kir2.1/IRK, Kir3.1/GIRK, and Kir6.2/KATP. By solving the Poisson-Boltzmann equation, the electrostatic free energy of a K+ ion is determined along each pore, revealing that mammalian Kir channels provide a favorable environment for cations and suggesting the existence of high-density regions in the cytoplasmic domain and cavity. The contribution from the reaction field (the self-energy arising from the dielectric polarization induced by the ion's charge in the complex geometry of the pore) is unfavorable inside the long pore. However, this is well compensated by the electrostatic interaction with the static field arising from the protein charges and shielded by the dielectric surrounding. Decomposition of the static field provides a list of residues that display remarkable correspondence with existing mutagenesis data identifying amino acids that affect conduction and rectification. Many of these residues demonstrate interactions with the ion over long distances, up to 40 Å, suggesting that mutations potentially affect ion or blocker energetics over the entire pore. These results provide a foundation for understanding ion interactions in Kir channels and extend to the study of ion permeation, block, and gating in long, cation-specific pores. PMID:19001143

Characterizing the Performance of the Wheel Electrostatic Spectrometer

Science.gov (United States)

Johansen, Michael R.; Mackey, P. J.; Holbert, E.; Calle, C. I.; Clements, J. S.

2013-01-01

Insulators need to be discharged after each wheel revolution. Sensor responses repeatable within one standard deviation in the noise of the signal. Insulators may not need to be cleaned after each revolution. Parent Technology- Mars Environmental Compatibility Assessment/Electrometer Electrostatic sensors with dissimilar cover insulators Protruding insulators tribocharge against regolith simulant Developed for use on the scoop for the 2001 Mars Odyssey lander Wheel Electrostatic Spectrometer Embedded electrostatic sensors in prototype Martian rover wheel If successful, this technology will enable constant electrostatic testing on Mars Air ionizing fan used to neutralize the surface charge on cover insulators . WES rolled on JSClA lunar simulant Control experiment -Static elimination not conducted between trials -Capacitor discharged after each experiment Charge neutralization experiment -Static elimination conducted between trials -Capacitor discharged after each experiment. Air ionizing fan used on insulators after each wheel revolution Capacitor discharged after each trial Care was taken to roll WES with same speed/pressure Error bars represent one standard deviation in the noise of e ach sensor

Emission shaping in fluorescent proteins: role of electrostatics and π-stacking.

Science.gov (United States)

Park, Jae Woo; Rhee, Young Min

2016-02-07

For many decades, simulating the excited state properties of complex systems has been an intriguing but daunting task due to its high computational cost. Here, we apply molecular dynamics based techniques with interpolated potential energy surfaces toward calculating fluorescence spectra of the green fluorescent protein (GFP) and its variants in a statistically meaningful manner. With the GFP, we show that the diverse electrostatic tuning can shape the emission features in many different ways. By computationally modulating the electrostatic interactions between the chromophore phenoxy oxygen and its nearby residues, we demonstrate that we indeed can shift the emission to the blue or to the red side in a predictable manner. We rationalize the shifting effects of individual residues in the GFP based on the responses of both the adiabatic and the diabatic electronic states of the chromophore. We next exhibit that the yellow emitting variant, the Thr203Tyr mutant, generates changes in the electrostatic interactions and an additional π-stacking interaction. These combined effects indeed induce a red shift to emit the fluorescence into the yellow region. With the series of demonstrations, we suggest that our approach can provide sound rationales and useful insights in understanding different responses of various fluorescent complexes, which may be helpful in designing new light emitting proteins and other related systems in future studies.

Simulation-based Investigations of Electrostatic Beam Energy Analysers

CERN Document Server

Pahl, Hannes

2015-01-01

An energy analyser is needed to measure the beam energy profile behind the REX-EBIS at ISOLDE. The device should be able to operate with an accuracy of 1 V at voltages up to 30 kV. In order to find a working concept for an electrostatic energy analyser different designs were evaluated with simulations. A spherical device and its design issues are presented. The potential deformation effects of grids at high voltages and their influence on the energy resolution were investigated. First tests were made with a grid-free ring electrode device and show promising results.

Structural phylogeny by profile extraction and multiple superimposition using electrostatic congruence as a discriminator

Energy Technology Data Exchange (ETDEWEB)

Chakraborty, Sandeep [Tata Inst. of Fundamental Research, Bombay (India); Rao, Basuthkar J. [Tata Inst. of Fundamental Research, Bombay (India); Baker, Nathan A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Asgeirsson, Bjarni [Univ. of Iceland, Reykjavik (Iceland)

2013-04-01

Phylogenetic analysis of proteins using multiple sequence alignment (MSA) assumes an underlying evolutionary relationship in these proteins which occasionally remains undetected due to considerable sequence divergence. Structural alignment programs have been developed to unravel such fuzzy relationships. However, none of these structure based methods have used electrostatic properties to discriminate between spatially equivalent residues. We present a methodology for MSA of a set of related proteins with known structures using electrostatic properties as an additional discriminator (STEEP). STEEP first extracts a profile, then generates a multiple structural superimposition providing a consolidated spatial framework for comparing residues and finally emits the MSA. Residues that are aligned differently by including or excluding electrostatic properties can be targeted by directed evolution experiments to transform the enzymatic properties of one protein into another. We have compared STEEP results to those obtained from a MSA program (ClustalW) and a structural alignment method (MUSTANG) for chymotrypsin serine proteases. Subsequently, we used PhyML to generate phylogenetic trees for the serine and metallo-β-lactamase superfamilies from the STEEP generated MSA, and corroborated the accepted relationships in these superfamilies. We have observed that STEEP acts as a functional classifier when electrostatic congruence is used as a discriminator, and thus identifies potential targets for directed evolution experiments. In summary, STEEP is unique among phylogenetic methods for its ability to use electrostatic congruence to specify mutations that might be the source of the functional divergence in a protein family. Based on our results, we also hypothesize that the active site and its close vicinity contains enough information to infer the correct phylogeny for related proteins.

The Effect of Residual Stress on the Electromechanical Behavior of Electrostatic Microactuators

Directory of Open Access Journals (Sweden)

Ming-Hung Hsu

2008-01-01

Full Text Available This work simulates the nonlinear electromechanical behavior of different electrostatic microactuators. It applies the differential quadrature method, Hamilton's principle, and Wilson-θ integration method to derive the equations of motion of electrostatic microactuators and find a solution to these equations. Nonlinear equation difficulties are overcome by using the differential quadrature method. The stresses of electrostatic actuators are determined, and the residual stress effects of electrostatic microactuators are simulated.

Unravelling merging behaviors and electrostatic properties of CVD-grown monolayer MoS{sub 2} domains

Energy Technology Data Exchange (ETDEWEB)

Hao, Song; Yang, Bingchu, E-mail: bingchuyang@csu.edu.cn [College of Physics and Electronics, Institute of Super Microstructure and Ultrafast Process in Advanced Materials, Central South University, 605 South Lushan Road, Changsha 410012 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, Central South University, 932 South Lushan Road, Changsha 410012 (China); Gao, Yongli [College of Physics and Electronics, Institute of Super Microstructure and Ultrafast Process in Advanced Materials, Central South University, 605 South Lushan Road, Changsha 410012 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, Central South University, 932 South Lushan Road, Changsha 410012 (China); Department of Physics and Astronomy, University of Rochester, Rochester, New York 14534 (United States)

2016-08-28

The presence of grain boundaries is inevitable for chemical vapor deposition (CVD)-grown MoS{sub 2} domains owing to various merging behaviors, which greatly limits its potential applications in novel electronic and optoelectronic devices. It is therefore of great significance to unravel the merging behaviors of the synthesized polygon shape MoS{sub 2} domains. Here we provide systematic investigations of merging behaviors and electrostatic properties of CVD-grown polycrystalline MoS{sub 2} crystals by multiple means. Morphological results exhibit various polygon shape features, ascribed to polycrystalline crystals merged with triangle shape MoS{sub 2} single crystals. The thickness of triangle and polygon shape MoS{sub 2} crystals is identical manifested by Raman intensity and peak position mappings. Three merging behaviors are proposed to illustrate the formation mechanisms of observed various polygon shaped MoS{sub 2} crystals. The combined photoemission electron microscopy and kelvin probe force microscopy results reveal that the surface potential of perfect merged crystals is identical, which has an important implication for fabricating MoS{sub 2}-based devices.

The electrostatics of charged insulating sheets peeled from grounded conductors

International Nuclear Information System (INIS)

Datta, M J; Horenstein, M N

2008-01-01

The physics of a charged, insulating sheet peeled from a ground-plane conductor is examined. Contact charging is ensured by charging a sheet to 10-12 kV with corona to establish intimate electrostatic contact with the underlying conductor. The surface potential is next forced to zero by sweeping the sheet with a stainless-steel brush, and the surface recharged to a new potential between 0 and 11 kV. The sheet is then peeled from the ground plane and its residual charge density is measured. Results show that the residual charge equals the breakdown-limiting value, but its polarity depends on the surface potential acquired just prior to peeling. The results have relevance to studies of industrial webs and insulating sheets.

Self focusing in a spatially modulated electrostatic field particle accelerator

Science.gov (United States)

Russman, F.; Marini, S.; Peter, E.; de Oliveira, G. I.; Rizzato, F. B.

2018-02-01

In the present analysis, we study the action of a three-dimensional (3D) modulated electrostatic wave over a charged particle. Meanwhile, the particle's velocity is smaller than the phase-velocity of the carrier, and the particle could be reflected by the potential or could pass through the potential with no significant change in the longitudinal velocity—and its dynamics could be described by a ponderomotive approximation. Otherwise, the particle is trapped by the potential and it is accelerated towards the speed of light, independently of the initial particle's phase—in this case, the ponderomotive approximation is no longer valid. During the acceleration process, numerical simulations show the particle is focused, simultaneously. These results suggest the accelerator proposed here is promising.

Positive technology–A powerful partnership between positive psychology and interactive technology. A discussion of potential and challenges.

Directory of Open Access Journals (Sweden)

Sarah Diefenbach

2017-11-01

Full Text Available Under the umbrella term "positive computing" concepts of positive psychology are transferred to the domain of human-computer interaction (HCI. In an interdisciplinary community psychologist, computer scientists, designers and others are exploring promising ways how to utilize interactive technology to support wellbeing and human flourishing. Along with this, the recent popularity of smartphone apps aiming at the improvement of health behavior, mindfulness and positive routines, suggests the general acceptance of technology as a facilitator of personal development. Given this, there generally seems a high potential for a technology mediated trigger of positive behavior change, especially in context of positive psychology and resource oriented approaches such as solution-focused coaching. At the same time, there is still a lack of well-founded approaches to design such technology which consider its responsible role as an "interactive coach" and systematically integrate the needed expertise of different disciplines. The present article discusses the general potential and particular challenges to support the goals of positive psychology and human desire for self-improvement through interactive technology and highlights critical steps for a successful partnership between both.

PREFACE: 7th International Conference on Applied Electrostatics (ICAES-2012)

Science.gov (United States)

Li, Jie

2013-03-01

ICAES is an important conference organized every four years by the Committee on Electrostatics of the Chinese Physical Society, which serves as a forum for scientists, educators and engineers interested in the fundamentals, applications, disasters and safety of electrostatics, etc. In recent years, new techniques, applications and fundamental theories on electrostatics have developed considerably. ICAES-7, held in Dalian, China, from 17-19 September 2012, aimed to provide a forum for all scholars to report the newest developments in electrostatics, to probe the questions that scholars faced and to discuss fresh ideas related to electrostatics. ICAES-7 was co-organized and hosted by Dalian University of Technology, and was sponsored by the Ministry of Education of China, the National Natural Science Foundation of China, Dalian University of Technology, Nanjing Suman Electronics Co. Ltd (Suman, China), Shekonic (Yangzhou Shuanghong, China) Electric/Mechanical Co. Ltd, and Suzhou TA&A Ultra Clean Technology Co. Ltd. (China). On behalf of the organizing committee of ICAES-7, I express my great appreciation for their support of the conference. Over 160 scholars and engineers from many countries including Croatia, The Czech Republic, D.P.R. Korea, Germany, Japan, Malaysia, Poland, Russia, the United States of America, China attended ICAES-7, and the conference collected and selected 149 papers for publication. The subjects of those papers cover the fundamentals of electrostatics, electrostatic disaster and safety, and electrostatic application (e.g. precipitation, pollutant control, biological treatment, mixture separation and food processing, etc). I cordially thank all authors and attendees for their support, and my appreciation is also given to the conference honorary chair, the organizing committee and advisory committee, and the conference secretaries for their hard work. ICAES-7 is dedicated to the memory of Professor Jen-Shih Chang (professor emeritus in the

POTENTIAL ANTISTATIC PROPERTIES OF A CEMENT COMPOSITION MODIFIED BY CHITOSAN

Directory of Open Access Journals (Sweden)

Darchiya Valentina Ivanovna

2012-10-01

Full Text Available Environmental compatibility of construction materials and their impact onto the human organism and the environment are the essential factors to be taken account of in the course of construction. Therefore, natural renewable biological polymers arouse interest. Polysaccharide chitin takes a special position among them. It represents one of the most widely spread biological polymers; it is extracted from 100% renewable materials. It is part of the external skeleton of crustaceans and insects, and it also part of cell walls of mushrooms and algae. Any research of potential materials to be generated from chitin and its derivative chitosan may involve a practical implementation. The research of the antistatic properties followed the introduction of 1% of chitosan into the cement composition. Electrostatic field intensity was measured by Electrostatic Field Intensity Meter ST-01. The electrostatic property of the sample modified by chitosan turned out to be lower than the one of the benchmark sample by 5.6 times. The presence of chitosan in the cement composition makes no impact on strength-related properties of the construction material. The cement composition modified by chitosan may be used in the manufacturing of antistatic self-leveling floors.

Development and Application Prospects of Pneumatic Electrostatic Sprayer in Orchard

OpenAIRE

Zhou, Yan; Qi, Li-jun; Jia, Shou-xing; Zheng, Xuan; Meng, Xiang-jin; Tang, Zhi-hui; Shen, Cong-ju

2012-01-01

We firstly introduce existing situations of development of electrostatic spraying technology both at home and abroad. On the basis of such problems as serious drift, loss and deterioration of environment during orchard spraying in Xinjiang, we design and develop a new electrostatic sprayer which can effectively reduce the pesticide, improve the adhesion rate of pesticide in the target, and reduce pollution on human body and environment. Using electrostatic induction principle, this electrosta...

Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations.

Science.gov (United States)

Ojeda-May, Pedro; Pu, Jingzhi

2015-11-07

The Wolf summation approach [D. Wolf et al., J. Chem. Phys. 110, 8254 (1999)], in the damped shifted force (DSF) formalism [C. J. Fennell and J. D. Gezelter, J. Chem. Phys. 124, 234104 (2006)], is extended for treating electrostatics in combined quantum mechanical and molecular mechanical (QM/MM) molecular dynamics simulations. In this development, we split the QM/MM electrostatic potential energy function into the conventional Coulomb r(-1) term and a term that contains the DSF contribution. The former is handled by the standard machinery of cutoff-based QM/MM simulations whereas the latter is incorporated into the QM/MM interaction Hamiltonian as a Fock matrix correction. We tested the resulting QM/MM-DSF method for two solution-phase reactions, i.e., the association of ammonium and chloride ions and a symmetric SN2 reaction in which a methyl group is exchanged between two chloride ions. The performance of the QM/MM-DSF method was assessed by comparing the potential of mean force (PMF) profiles with those from the QM/MM-Ewald and QM/MM-isotropic periodic sum (IPS) methods, both of which include long-range electrostatics explicitly. For ion association, the QM/MM-DSF method successfully eliminates the artificial free energy drift observed in the QM/MM-Cutoff simulations, in a remarkable agreement with the two long-range-containing methods. For the SN2 reaction, the free energy of activation obtained by the QM/MM-DSF method agrees well with both the QM/MM-Ewald and QM/MM-IPS results. The latter, however, requires a greater cutoff distance than QM/MM-DSF for a proper convergence of the PMF. Avoiding time-consuming lattice summation, the QM/MM-DSF method yields a 55% reduction in computational cost compared with the QM/MM-Ewald method. These results suggest that, in addition to QM/MM-IPS, the QM/MM-DSF method may serve as another efficient and accurate alternative to QM/MM-Ewald for treating electrostatics in condensed-phase simulations of chemical reactions.

Inertial electrostatic confinement fusion neutron source R ampersand D and issues

International Nuclear Information System (INIS)

Ohnishi, Masami; Yamamoto, Yasushi; Hasegawa, Mitsunori

1997-01-01

An inertial electrostatic confinement (IEC) fusion is the scheme of injecting the ions and electrons toward the spherical center, trapping both species in the electrostatic self-field and giving rise to fusion reactions in the dense core. An IEC is expected to have wide application from a small neutron source to a D- 3 He fusion reactor. Hirsch reported 10 9 n/s deuterium-tritium (D-T) neutron production in the device equipped with ion guns. Recently, Gu et al. measured 10 6 n/s using a D 2 gas discharge between the spherical wire cathode and the anode vacuum vessel, where the applied voltage is 60 kV and the current is 15 mA. We have also obtained similar neutron production at a lower voltage, ∼45 kV in a single-grid IEC device. Fusion reaction rates obtained by IEC experiments so far cannot be explained by a model of a simple potential well structure because the electrical potential peaked at the center prevents making a dense core. Hirsch proposed a multiwell structure called open-quotes poissorsclose quotes to explain the experiments. It is generally believed that there may be some correlation between the potential well structure and the neutron production rate. The scaling of neutron production on the injected ion current is a most important aspect of the problem for the prospect of utilizing IEC for fusion energy. The potential structure and its behavior are keys to the physics in understanding the principle of an IEC

Positively charged phosphorus as a hydrogen bond acceptor

DEFF Research Database (Denmark)

Hansen, Anne Schou; Du, Lin; Kjærgaard, Henrik Grum

2014-01-01

Phosphorus (P) is an element that is essential to the life of all organisms, and the atmospheric detection of phosphine suggests the existence of a volatile biogeochemical P cycle. Here, we investigate the ability of P to participate in the formation of OH···P hydrogen bonds. Three bimolecular......-stretching frequency red shifts and quantum chemical calculations, we find that P is an acceptor atom similar in strength to O and S and that all three P, O, and S atoms are weaker acceptors than N. The quantum chemical calculations show that both H and P in the OH···P hydrogen bond have partial positive charges......, as expected from their electronegativities. However, the electrostatic potentials show a negative potential area on the electron density surface around P that facilitates formation of hydrogen bonds....

A new, simple electrostatic-acoustic hybrid levitator

Science.gov (United States)

Lierke, E. G.; Loeb, H.; Gross, D.

1990-01-01

Battelle has developed a hybrid levitator by combining the known single-axis acoustic standing wave levitator with a coaxial DC electric field. The resulting Coulomb forces on the charged liquid or solid sample support its weight and, together with the acoustic force, center the sample. Liquid samples with volumes approximately less than 100 micro-liters are deployed from a syringe reservoir into the acoustic pressure node. The sample is charged using a miniature high voltage power supply (approximately less than 20 kV) connected to the syringe needle. As the electric field, generated by a second miniature power supply, is increased, the acoustic intensity is reduced. The combination of both fields allows stable levitation of samples larger than either single technique could position on the ground. Decreasing the acoustic intensity reduces acoustic convection and sample deformation. Neither the electrostatic nor the acoustic field requires sample position sensing or active control. The levitator, now used for static and dynamic fluid physics investigations on the ground, can be easily modified for space operations.

Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.

Science.gov (United States)

Bardhan, Jaydeep P; Knepley, Matthew G

2011-09-28

We analyze the mathematically rigorous BIBEE (boundary-integral based electrostatics estimation) approximation of the mixed-dielectric continuum model of molecular electrostatics, using the analytically solvable case of a spherical solute containing an arbitrary charge distribution. Our analysis, which builds on Kirkwood's solution using spherical harmonics, clarifies important aspects of the approximation and its relationship to generalized Born models. First, our results suggest a new perspective for analyzing fast electrostatic models: the separation of variables between material properties (the dielectric constants) and geometry (the solute dielectric boundary and charge distribution). Second, we find that the eigenfunctions of the reaction-potential operator are exactly preserved in the BIBEE model for the sphere, which supports the use of this approximation for analyzing charge-charge interactions in molecular binding. Third, a comparison of BIBEE to the recent GBε theory suggests a modified BIBEE model capable of predicting electrostatic solvation free energies to within 4% of a full numerical Poisson calculation. This modified model leads to a projection-framework understanding of BIBEE and suggests opportunities for future improvements. © 2011 American Institute of Physics

Manipulation and Investigation of Uniformly-Spaced Nanowire Array on a Substrate via Dielectrophoresis and Electrostatic Interaction

Directory of Open Access Journals (Sweden)

U Hyeok Choi

2018-06-01

Full Text Available Directed-assembly of nanowires on the dielectrics-covered parallel electrode structure is capable of producing uniformly-spaced nanowire array at the electrode gap due to dielectrophoretic nanowire attraction and electrostatic nanowire repulsion. Beyond uniformly-spaced nanowire array formation, the control of spacing in the array is beneficial in that it should be the experimental basis of the precise positioning of functional nanowires on a circuit. Here, we investigate the material parameters and bias conditions to modulate the nanowire spacing in the ordered array, where the nanowire array formation is readily attained due to the electrostatic nanowire interaction. A theoretical model for the force calculation and the simulation of the induced charge in the assembled nanowire verifies that the longer nanowires on thicker dielectric layer tend to be assembled with a larger pitch due to the stronger nanowire-nanowire electrostatic repulsion, which is consistent with the experimental results. It was claimed that the stronger dielectrophoretic force is likely to attract more nanowires that are suspended in solution at the electrode gap, causing them to be less-spaced. Thus, we propose a generic mechanism, competition of dielectrophoretic and electrostatic force, to determine the nanowire pitch in an ordered array. Furthermore, this spacing-controlled nanowire array offers a way to fabricate the high-density nanodevice array without nanowire registration.

Image charge models for accurate construction of the electrostatic self-energy of 3D layered nanostructure devices

Science.gov (United States)

Barker, John R.; Martinez, Antonio

2018-04-01

Efficient analytical image charge models are derived for the full spatial variation of the electrostatic self-energy of electrons in semiconductor nanostructures that arises from dielectric mismatch using semi-classical analysis. The methodology provides a fast, compact and physically transparent computation for advanced device modeling. The underlying semi-classical model for the self-energy has been established and validated during recent years and depends on a slight modification of the macroscopic static dielectric constants for individual homogeneous dielectric regions. The model has been validated for point charges as close as one interatomic spacing to a sharp interface. A brief introduction to image charge methodology is followed by a discussion and demonstration of the traditional failure of the methodology to derive the electrostatic potential at arbitrary distances from a source charge. However, the self-energy involves the local limit of the difference between the electrostatic Green functions for the full dielectric heterostructure and the homogeneous equivalent. It is shown that high convergence may be achieved for the image charge method for this local limit. A simple re-normalisation technique is introduced to reduce the number of image terms to a minimum. A number of progressively complex 3D models are evaluated analytically and compared with high precision numerical computations. Accuracies of 1% are demonstrated. Introducing a simple technique for modeling the transition of the self-energy between disparate dielectric structures we generate an analytical model that describes the self-energy as a function of position within the source, drain and gated channel of a silicon wrap round gate field effect transistor on a scale of a few nanometers cross-section. At such scales the self-energies become large (typically up to ~100 meV) close to the interfaces as well as along the channel. The screening of a gated structure is shown to reduce the self

Optical klystron FELs based on tandem electrostatic accelerators

International Nuclear Information System (INIS)

Gover, A.; Friedman, A.

1989-01-01

The operation of tandem electrostatic accelerator FELs in an optical klystron configuration makes it possible to take advantage of the high quality (low emittance and low energy spread) of the electron beam in electrostatic accelerators. With evolving microwiggler technology, state-of-the-art moderate energy (6-14-MeV) tandem electrostatic accelerators may be used for the development of highly coherent tunable radiation sources in the entire IR region. The authors present the general design considerations and the predicted operating characteristics of such devices and refer in specifics to a design of a 10-1000-μm FEL based on the parameters of a 5-6-MeV high current tandem accelerator. The operating wavelength of FELs is determined by the Doppler shift formula

Nonlinear electrostatic wave equations for magnetized plasmas - II

DEFF Research Database (Denmark)

Dysthe, K. B.; Mjølhus, E.; Pécseli, H. L.

1985-01-01

For pt.I see ibid., vol.26, p.443-7 (1984). The problem of extending the high frequency part of the Zakharov equations for nonlinear electrostatic waves to magnetized plasmas, is considered. Weak electromagnetic and thermal effects are retained on an equal footing. Direction dependent (electrosta......For pt.I see ibid., vol.26, p.443-7 (1984). The problem of extending the high frequency part of the Zakharov equations for nonlinear electrostatic waves to magnetized plasmas, is considered. Weak electromagnetic and thermal effects are retained on an equal footing. Direction dependent...... (electrostatic) cut-off implies that various cases must be considered separately, leading to equations with rather different properties. Various equations encountered previously in the literature are recovered as limiting cases....

Obtaining the electrostatic screening from first principles

International Nuclear Information System (INIS)

Shaviv, N.J.; Shaviv, G.

2003-01-01

We derive the electrostatic screening effect from first principles and show the basic properties of the screening process. We in particular show that under the conditions prevailing in the Sun the number of particles in the Debye sphere is of the order of unity. Consequently; fluctuations play a dominant role in the screening process. The fluctuations lead to an effective time dependent potential. Particles with low kinetic energy lose on the average energy to the plasma and vice versa with high energy particles. We derive general conditions on the screening energy and show under what conditions the Salpeter approximation is obtained. The connection between the screening and relaxation processes in the plasma is exposed

Novel parallel plate condenser for single particle electrostatic force measurements in atomic force microscope

KAUST Repository

Kwek, Jin Wang

2011-07-01

A combination of small parallel plate condenser with Indium Tin Oxide (ITO) glass slides as electrodes and an atomic force microscope (AFM) is used to characterize the electrostatic behavior of single glass bead microparticles (105-150 μm) glued to the AFM cantilever. This novel setup allows measurements of the electrostatic forces acting on a particle in an applied electrical field to be performed in ambient air conditions. By varying the position of the microparticle between the electrodes and the strength of the applied electric field, the relative contributions of the particle net charge, induced and image charges were investigated. When the microparticle is positioned in the middle of the electrodes, the force acting on the microparticle was linear with the applied electric field and proportional to the microparticle net charge. At distances close to the bottom electrode, the force follows a parabolic relationship with the applied electric field reflecting the contributions of induced and image charges. The method can be used for the rapid evaluation of the charging and polarizability properties of the microparticle as well as an alternative to the conventional Faraday\\'s pail technique. © 2011 Elsevier B.V.

Electrostatics and charge regulation in polyelectrolyte multilayered assembly.

Science.gov (United States)

Cherstvy, Andrey G

2014-05-01

We examine the implications of electrostatic interactions on formation of polyelectrolyte multilayers, in application to field-effect based biosensors for label-free detection of charged macromolecules. We present a quantitative model to describe the experimental potentiometric observations and discuss its possibilities and limitations for detection of polyelectrolyte adsorption. We examine the influence of the ionic strength and pH on the sensor response upon polyelectrolyte layer-by-layer formation. The magnitude of potential oscillations on the sensor-electrolyte interface predicted upon repetitive adsorption charge-alternating polymers agrees satisfactorily with experimental results. The model accounts for different screening by mobile ions in electrolyte and inside tightly interdigitated multilayered structure. In particular, we show that sensors' potential oscillations are larger and more persistent at lower salt conditions, while they decay faster with the number of layers at higher salt conditions, in agreement with experiments. The effects of polyelectrolyte layer thickness, substrate potential, and charge regulation on the sensor surface triggered by layer-by-layer deposition are also analyzed.

Holes in magneto electrostatic traps

International Nuclear Information System (INIS)

Jones, R.

1996-01-01

We observe that in magneto electrostatic confinement (MEC) devices the magnetic surfaces are not always equipotentials. The lack of symmetry in the equipotential surfaces can result in holes in MEC plasma traps. (author)

Low-frequency electrostatic dust-modes in a non-uniform

Indian Academy of Sciences (India)

A self-consistent and general description of obliquely propagating low-frequency electrostatic dust-modes in a non-uniform magnetized dusty plasma system has been presented. A number of different situations, which correspond to different low-frequency electrostatic dust-modes, namely, dust-acoustic mode, dust-drift ...

Geometry and Optics of the Electrostatic ELENA Transfer Lines

CERN Document Server

Vanbavinckhove, G; Barna, D; Bartmann, W; Butin, F; Choisnet, O; Yamada, H

2013-01-01

The future ELENA ring at CERN will decelerate the AD anti-proton beam further from 5.3 MeV to 100 keV kinetic energy, to increase the efficiency of anti-proton trapping. At present there are four experiments in the AD hall which will be complemented with the installation of ELENA by additional three experiments and an additional source for commissioning. This paper describes the optimization of the transfer line geometry, ring rotation and source position. The optics of the transfer lines and error studies to define field and alignment tolerances are shown, and the optics particularities of electrostatic elements and their optimization highlighted.

Electrostatic afocal-zoom lens design using computer optimization technique

Energy Technology Data Exchange (ETDEWEB)

Sise, Omer, E-mail: omersise@gmail.com

2014-12-15

Highlights: • We describe the detailed design of a five-element electrostatic afocal-zoom lens. • The simplex optimization is used to optimize lens voltages. • The method can be applied to multi-element electrostatic lenses. - Abstract: Electron optics is the key to the successful operation of electron collision experiments where well designed electrostatic lenses are needed to drive electron beam before and after the collision. In this work, the imaging properties and aberration analysis of an electrostatic afocal-zoom lens design were investigated using a computer optimization technique. We have found a whole new range of voltage combinations that has gone unnoticed until now. A full range of voltage ratios and spherical and chromatic aberration coefficients were systematically analyzed with a range of magnifications between 0.3 and 3.2. The grid-shadow evaluation was also employed to show the effect of spherical aberration. The technique is found to be useful for searching the optimal configuration in a multi-element lens system.

Dynamics and fluctuation spectra of electrostatic resistive interchange turbulence

International Nuclear Information System (INIS)

Sydora, R.D.; Leboeuf, J.N.; An, Z.G.; Diamond, P.H.; Lee, G.S.; Hahm, T.S.

1985-11-01

The saturation mechanism for density and potential fluctuation spectra which evolve from linearly unstable electrostatic resistive interchange modes, are investigated using particle simulations. Detailed comparisons of the nonlinear evolution, saturation levels and resultant spectra between two- and three-dimensional sheared magnetic field configurations are made. Significant differences appear. The single rational surface, quasilinear-dominated evolution, fluctuation spectrum is adequately described using a density convection model. For the multiple rational surface case, the potential fluctuations are adequately represented by a balance between the nonlinearly modified source (curvature drive) and linear sink (parallel resistive field line diffusion). An accurate description of the density spectrum requires a mode coupling theory based on the two-point density correlation evolution equation. 24 refs., 15 figs

Improving the treatment of coarse-grain electrostatics: CVCEL